0AA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480 5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000 6 C2 Cg 3 4 3 2 1.547 97.401 -30.99 0.2680 7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000 8 C3 Cg 3 6 4 3 1.543 115.075 -176.20 0.3350 9 H3 H1 E 8 6 4 1.091 110.217 -167.01 0.0000 10 C4 Cg 3 8 6 4 1.543 111.532 -44.66 0.2450 11 H4 H1 E 10 8 6 1.091 108.482 -68.58 0.0000 12 C5 Cg 3 10 8 6 1.532 112.944 51.47 0.3790 13 H5E H1 E 12 10 8 1.090 110.447 -175.26 0.0000 14 H5A H1 E 12 10 8 1.091 110.923 64.60 0.0000 15 O5 Os E 12 10 8 1.479 108.551 -55.64 -0.5640 16 O4 Oh S 10 8 6 1.437 110.197 173.67 -0.7480 17 H4O Ho E 16 10 8 0.960 109.412 -61.02 0.4340 18 O3 Oh S 8 6 4 1.441 106.949 75.66 -0.7720 19 H3O Ho E 18 8 6 0.960 109.473 59.41 0.4610 20 O2 Oh S 6 4 3 1.437 106.880 64.80 -0.7350 21 H2O Ho E 20 6 4 0.960 109.480 -177.98 0.4430 LOOP O5 C1 DONE 0AB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790 5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000 6 O5 Os S 4 3 2 1.466 132.905 172.33 -0.5290 7 C5 Cg 3 6 4 3 1.485 114.414 139.79 0.3560 8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000 9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000 10 C4 Cg 3 7 6 4 1.546 110.184 56.30 0.2240 11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000 12 O4 Oh S 10 7 6 1.458 110.447 -177.16 -0.7300 13 H4O Ho E 12 10 7 0.964 110.010 -151.69 0.4400 14 C3 Cg 3 10 7 6 1.551 111.087 -54.27 0.2970 15 H3 H1 E 14 10 7 1.091 109.244 175.99 0.0000 16 O3 Oh S 14 10 7 1.454 109.593 -65.87 -0.6680 17 H3O Ho E 16 14 10 0.966 107.607 -47.31 0.4070 18 C2 Cg B 14 10 7 1.543 111.469 54.81 0.3000 19 H2 H1 E 18 14 10 1.091 109.979 -173.48 0.0000 20 O2 Oh S 18 14 10 1.460 108.027 68.57 -0.7000 21 H2O Ho E 20 18 14 0.965 107.206 -167.33 0.4180 LOOP C2 C1 DONE 0AD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680 5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000 6 C2 Cg 3 4 3 2 1.632 104.217 14.88 0.2780 7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000 8 C3 Cg 3 6 4 3 1.638 107.428 -64.48 0.3700 9 H3 H1 E 8 6 4 1.091 109.719 -115.23 0.0000 10 C4 Cg 3 8 6 4 1.617 107.830 4.89 0.1470 11 H4 H1 E 10 8 6 1.091 109.995 109.41 0.0000 12 C5 Cg 3 10 8 6 1.531 113.111 -128.33 0.3380 13 H52 H1 E 12 10 8 1.090 110.286 -56.49 0.0000 14 H51 H1 E 12 10 8 1.090 110.161 -176.14 0.0000 15 O5 Oh S 12 10 8 1.438 109.271 63.95 -0.6960 16 H5O Ho E 15 12 10 0.963 107.879 70.16 0.3990 17 O4 Os E 10 8 6 1.585 105.385 -6.88 -0.4530 18 O3 Oh S 8 6 4 1.445 110.901 124.99 -0.7030 19 H3O Ho E 18 8 6 0.962 109.189 61.81 0.4040 20 O2 Oh S 6 4 3 1.459 111.670 174.46 -0.6880 21 H2O Ho E 20 6 4 0.962 111.196 52.33 0.4300 LOOP O4 C1 DONE 0AU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770 5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000 6 O4 Os S 4 3 2 1.559 125.393 147.34 -0.5320 7 C4 Cg 3 6 4 3 1.592 113.400 -118.27 0.3270 8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000 9 C5 Cg 3 7 6 4 1.536 109.955 123.86 0.2270 10 H52 H1 E 9 7 6 1.090 110.003 -58.66 0.0000 11 H51 H1 E 9 7 6 1.090 110.273 -178.18 0.0000 12 O5 Oh S 9 7 6 1.440 109.976 61.40 -0.6500 13 H5O Ho E 12 9 7 0.963 109.100 -48.75 0.3970 14 C3 Cg 3 7 6 4 1.623 104.988 1.35 0.2150 15 H3 H1 E 14 7 6 1.091 109.455 110.64 0.0000 16 O3 Oh S 14 7 6 1.449 110.805 -129.50 -0.7280 17 H3O Ho E 16 14 7 0.965 109.557 -174.52 0.4370 18 C2 Cg B 14 7 6 1.636 107.636 -8.35 0.3280 19 H2 H1 E 18 14 7 1.091 108.941 -103.94 0.0000 20 O2 Oh S 18 14 7 1.456 110.454 137.54 -0.7210 21 H2O Ho E 20 18 14 0.967 108.079 -107.31 0.4170 LOOP C2 C1 DONE 0BA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300 5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280 6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000 7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000 8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780 9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990 10 C3 Cg 3 4 3 2 1.559 106.735 7.30 0.3720 11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000 12 C4 Cg 3 10 4 3 1.548 110.877 -143.81 0.3350 13 H4 H1 E 12 10 4 1.092 109.910 62.48 0.0000 14 C5 Cg 3 12 10 4 1.550 109.394 -58.65 0.2240 15 H5 H1 E 14 12 10 1.091 109.416 -64.57 0.0000 16 C6 Cg 3 14 12 10 1.544 111.673 55.39 0.3410 17 H6E H1 E 16 14 12 1.090 110.000 -171.23 0.0000 18 H6A H1 E 16 14 12 1.091 110.069 70.07 0.0000 19 O6 Os E 16 14 12 1.491 111.103 -50.56 -0.5070 20 O5 Oh S 14 12 10 1.455 110.457 176.19 -0.6900 21 H5O Ho E 20 14 12 0.963 109.307 77.89 0.4290 22 O4 Oh S 12 10 4 1.461 109.578 -178.37 -0.7240 23 H4O Ho E 22 12 10 0.964 108.580 -150.69 0.4210 24 O3 Oh S 10 4 3 1.456 111.120 -18.72 -0.7160 25 H3O Ho E 24 10 4 0.964 107.033 -168.33 0.4300 LOOP O6 C2 DONE 0BB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270 5 O6 Os S 4 3 2 1.482 134.628 169.57 -0.4770 6 C6 Cg 3 5 4 3 1.485 116.916 144.77 0.3110 7 H6E H1 E 6 5 4 1.090 109.104 176.90 0.0000 8 H6A H1 E 6 5 4 1.091 109.162 -65.19 0.0000 9 C5 Cg 3 6 5 4 1.543 109.751 56.11 0.3400 10 H5 H1 E 9 6 5 1.091 108.952 69.35 0.0000 11 O5 Oh S 9 6 5 1.444 108.793 -172.08 -0.7200 12 H5O Ho E 11 9 6 0.966 106.322 170.63 0.4290 13 C4 Cg 3 9 6 5 1.545 112.662 -52.43 0.1080 14 H4 H1 E 13 9 6 1.092 109.257 -67.90 0.0000 15 O4 Oh S 13 9 6 1.460 109.081 173.87 -0.6750 16 H4O Ho E 15 13 9 0.968 108.634 -176.45 0.4350 17 C3 Cg B 13 9 6 1.550 110.670 52.18 0.4640 18 H3 H1 E 17 13 9 1.092 108.385 68.01 0.0000 19 O3 Oh S 17 13 9 1.453 108.659 -174.74 -0.7300 20 H3O Ho E 19 17 13 0.965 106.403 -179.38 0.4320 21 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810 22 H12 H1 E 21 4 3 1.091 110.325 40.86 0.0000 23 H11 H1 E 21 4 3 1.090 110.121 159.57 0.0000 24 O1 Oh S 21 4 3 1.444 111.743 -80.01 -0.6260 25 H1O Ho E 24 21 4 0.960 109.452 179.75 0.3950 LOOP C3 C2 DONE 0BC INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.408 98.558 -136.37 0.3130 5 H1 H2 E 4 3 2 1.091 69.916 -94.06 0.0000 6 C2 Cg 3 4 3 2 1.560 113.358 10.35 0.3540 7 H2 H1 E 6 4 3 1.092 107.992 101.47 0.0000 8 C3 Cg 3 6 4 3 1.553 109.221 -141.10 0.1960 9 H3 H1 E 8 6 4 1.092 107.757 63.80 0.0000 10 C4 Cg 3 8 6 4 1.557 111.958 -54.52 0.5790 11 H4 H1 E 10 8 6 1.092 107.671 -66.49 0.0000 12 C5 Cg 3 10 8 6 1.553 111.334 52.25 0.1410 13 H5 H1 E 12 10 8 1.092 109.080 68.78 0.0000 14 C6 Cg 3 12 10 8 1.529 113.959 -169.86 0.0540 15 H63 H1 E 14 12 10 1.090 110.350 177.65 0.0000 16 H62 H1 E 14 12 10 1.091 110.671 57.53 0.0000 17 H61 H1 E 14 12 10 1.090 110.595 -62.81 0.0000 18 O5 Os E 12 10 8 1.484 110.731 -49.92 -0.4890 19 N4 Ng B 10 8 6 1.482 109.381 173.96 -0.8840 20 H4N H E 19 10 8 1.005 118.374 -46.73 0.3270 21 C4N C B 19 10 8 1.334 122.717 137.86 0.7200 22 C4M Cg 3 21 19 10 1.542 116.539 179.84 0.0380 23 H43 Hc E 22 21 19 1.091 109.727 63.50 0.0000 24 H42 Hc E 22 21 19 1.091 109.889 -56.66 0.0000 25 H41 Hc E 22 21 19 1.091 110.231 -176.59 0.0000 26 O4N O E 21 19 10 1.221 121.166 -0.20 -0.6220 27 O3 Oh S 8 6 4 1.467 110.961 -179.24 -0.7170 28 H3O Ho E 27 8 6 0.964 111.363 165.80 0.4520 29 N2 Ng B 6 4 3 1.482 110.993 -18.32 -0.6460 30 H2N H E 29 6 4 1.005 117.749 -47.60 0.2870 31 C2N C B 29 6 4 1.339 123.653 132.27 0.5290 32 C2M Cg 3 31 29 6 1.543 115.754 177.65 0.0780 33 H23 Hc E 32 31 29 1.091 109.662 69.03 0.0000 34 H22 Hc E 32 31 29 1.091 110.049 -51.17 0.0000 35 H21 Hc E 32 31 29 1.091 110.260 -171.03 0.0000 36 O2N O E 31 29 6 1.228 122.945 -2.35 -0.5160 LOOP O5 C1 DONE 0BD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410 5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130 6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000 7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000 8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680 9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140 10 C3 Cg 3 4 3 2 1.641 111.508 16.65 0.4400 11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000 12 C4 Cg 3 10 4 3 1.636 106.644 136.55 0.2250 13 H4 H1 E 12 10 4 1.091 108.604 98.33 0.0000 14 C5 Cg 3 12 10 4 1.626 107.413 -17.56 0.2710 15 H5 H1 E 14 12 10 1.091 108.621 126.81 0.0000 16 C6 Cg 3 14 12 10 1.543 115.360 -109.99 0.2810 17 H62 H1 E 16 14 12 1.091 109.980 67.38 0.0000 18 H61 H1 E 16 14 12 1.090 110.249 -51.87 0.0000 19 O6 Oh S 16 14 12 1.443 110.886 -171.63 -0.6790 20 H6O Ho E 19 16 14 0.959 110.164 69.40 0.4110 21 O5 Os E 14 12 10 1.587 104.732 10.45 -0.4520 22 O4 Oh S 12 10 4 1.457 112.032 -142.43 -0.7100 23 H4O Ho E 22 12 10 0.965 109.577 -74.18 0.4350 24 O3 Oh S 10 4 3 1.453 115.892 -99.73 -0.7320 25 H3O Ho E 24 10 4 0.959 109.052 121.29 0.4040 LOOP O5 C2 DONE 0BU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470 5 O5 Os S 4 3 2 1.568 142.358 -178.86 -0.3850 6 C5 Cg 3 5 4 3 1.582 113.720 173.86 0.2100 7 H5 H1 E 6 5 4 1.091 108.799 -121.64 0.0000 8 C6 Cg 3 6 5 4 1.541 109.962 118.91 0.3320 9 H62 H1 E 8 6 5 1.090 110.302 -58.44 0.0000 10 H61 H1 E 8 6 5 1.090 109.861 -177.80 0.0000 11 O6 Oh S 8 6 5 1.442 110.695 62.46 -0.7010 12 H6O Ho E 11 8 6 0.959 110.169 52.94 0.4090 13 C4 Cg 3 6 5 4 1.624 104.801 -5.21 0.2830 14 H4 H1 E 13 6 5 1.091 107.561 -105.82 0.0000 15 O4 Oh S 13 6 5 1.453 112.691 135.08 -0.7550 16 H4O Ho E 15 13 6 0.964 109.402 171.47 0.4340 17 C3 Cg B 13 6 5 1.637 107.577 11.31 0.3820 18 H3 H1 E 17 13 6 1.091 108.163 103.95 0.0000 19 O3 Oh S 17 13 6 1.455 110.878 -138.10 -0.7420 20 H3O Ho E 19 17 13 0.963 108.479 -160.63 0.4260 21 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990 22 H12 H1 E 21 4 3 1.091 110.361 37.48 0.0000 23 H11 H1 E 21 4 3 1.091 109.538 156.30 0.0000 24 O1 Oh S 21 4 3 1.445 111.462 -83.60 -0.6270 25 H1O Ho E 24 21 4 0.960 109.374 -172.60 0.3820 LOOP C3 C2 DONE 0CA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450 5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860 6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000 7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000 8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960 9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020 10 C3 Cg 3 4 3 2 1.575 105.291 0.80 0.2470 11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000 12 C4 Cg 3 10 4 3 1.551 113.411 -152.18 0.3670 13 H4 H1 E 12 10 4 1.091 108.797 -167.01 0.0000 14 C5 Cg 3 12 10 4 1.544 112.343 -46.95 0.1950 15 H5 H1 E 14 12 10 1.091 108.612 -61.32 0.0000 16 C6 Cg 3 14 12 10 1.538 109.577 57.29 0.4370 17 H6E H1 E 16 14 12 1.090 109.936 -178.47 0.0000 18 H6A H1 E 16 14 12 1.091 110.981 62.19 0.0000 19 O6 Os E 16 14 12 1.483 109.646 -58.96 -0.6200 20 O5 Oh S 14 12 10 1.462 110.821 -179.28 -0.7090 21 H5O Ho E 20 14 12 0.964 110.741 154.55 0.4150 22 O4 Oh S 12 10 4 1.450 110.082 76.05 -0.7200 23 H4O Ho E 22 12 10 0.965 107.347 -174.93 0.3940 24 O3 Oh S 10 4 3 1.466 111.567 86.40 -0.6550 25 H3O Ho E 24 10 4 0.965 109.737 -159.40 0.4060 LOOP O6 C2 DONE 0CB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440 5 O6 Os S 4 3 2 1.480 134.325 169.15 -0.4600 6 C6 Cg 3 5 4 3 1.482 117.080 144.78 0.3650 7 H6E H1 E 6 5 4 1.090 108.978 178.11 0.0000 8 H6A H1 E 6 5 4 1.091 109.532 -63.87 0.0000 9 C5 Cg 3 6 5 4 1.539 109.460 57.67 0.1950 10 H5 H1 E 9 6 5 1.091 107.780 64.61 0.0000 11 O5 Oh S 9 6 5 1.457 110.279 -178.31 -0.6840 12 H5O Ho E 11 9 6 0.965 109.084 80.29 0.4150 13 C4 Cg 3 9 6 5 1.549 112.024 -54.46 0.3440 14 H4 H1 E 13 9 6 1.091 108.628 172.57 0.0000 15 O4 Oh S 13 9 6 1.459 109.986 -70.35 -0.6980 16 H4O Ho E 15 13 9 0.964 108.929 -144.70 0.4170 17 C3 Cg B 13 9 6 1.551 111.995 51.70 0.3170 18 H3 H1 E 17 13 9 1.091 109.680 -170.27 0.0000 19 O3 Oh S 17 13 9 1.453 106.815 73.47 -0.6970 20 H3O Ho E 19 17 13 0.968 105.774 -153.52 0.4070 21 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970 22 H12 H1 E 21 4 3 1.091 110.065 46.56 0.0000 23 H11 H1 E 21 4 3 1.088 110.800 165.58 0.0000 24 O1 Oh S 21 4 3 1.447 111.733 -74.36 -0.6690 25 H1O Ho E 24 21 4 0.961 109.456 -178.60 0.4010 LOOP C3 C2 DONE 0CD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840 5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700 6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000 7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000 8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880 9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140 10 C3 Cg 3 4 3 2 1.638 108.658 19.86 0.2820 11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000 12 C4 Cg 3 10 4 3 1.638 106.495 134.41 0.3320 13 H4 H1 E 12 10 4 1.091 111.116 -136.07 0.0000 14 C5 Cg 3 12 10 4 1.621 107.987 -13.87 0.3090 15 H5 H1 E 14 12 10 1.092 110.544 126.66 0.0000 16 C6 Cg 3 14 12 10 1.538 111.506 -110.78 0.2650 17 H62 H1 E 16 14 12 1.091 109.952 69.16 0.0000 18 H61 H1 E 16 14 12 1.090 109.956 -49.70 0.0000 19 O6 Oh S 16 14 12 1.442 111.246 -169.72 -0.6640 20 H6O Ho E 19 16 14 0.960 110.855 67.48 0.4120 21 O5 Os E 14 12 10 1.584 104.926 8.85 -0.4980 22 O4 Oh S 12 10 4 1.453 108.919 105.00 -0.7840 23 H4O Ho E 22 12 10 0.965 110.375 -49.86 0.4440 24 O3 Oh S 10 4 3 1.460 111.917 16.34 -0.7160 25 H3O Ho E 24 10 4 0.965 109.355 -165.56 0.4320 LOOP O5 C2 DONE 0CU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390 5 O5 Os S 4 3 2 1.575 147.962 122.92 -0.4490 6 C5 Cg 3 5 4 3 1.577 112.749 -165.42 0.3100 7 H5 H1 E 6 5 4 1.092 109.362 -121.32 0.0000 8 C6 Cg 3 6 5 4 1.529 108.415 119.08 0.2720 9 H62 H1 E 8 6 5 1.091 110.618 -56.09 0.0000 10 H61 H1 E 8 6 5 1.090 110.315 -176.31 0.0000 11 O6 Oh S 8 6 5 1.433 108.667 64.08 -0.6520 12 H6O Ho E 11 8 6 0.960 109.494 59.32 0.3970 13 C4 Cg 3 6 5 4 1.622 105.503 -1.90 0.2930 14 H4 H1 E 13 6 5 1.092 112.170 133.69 0.0000 15 O4 Oh S 13 6 5 1.434 107.738 -106.47 -0.7630 16 H4O Ho E 15 13 6 0.960 109.480 -62.64 0.4310 17 C3 Cg B 13 6 5 1.624 107.882 8.77 0.3330 18 H3 H1 E 17 13 6 1.091 112.343 -135.61 0.0000 19 O3 Oh S 17 13 6 1.439 105.085 106.18 -0.6910 20 H3O Ho E 19 17 13 0.960 109.418 -177.11 0.4100 21 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870 22 H12 H1 E 21 4 3 1.091 110.638 29.87 0.0000 23 H11 H1 E 21 4 3 1.091 109.952 149.16 0.0000 24 O1 Oh S 21 4 3 1.437 110.256 -91.14 -0.6240 25 H1O Ho E 24 21 4 0.960 109.490 -179.97 0.4010 LOOP C3 C2 DONE 0DA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980 5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000 6 C2 Cg 3 4 3 2 1.559 100.528 13.66 0.2460 7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000 8 C3 Cg 3 6 4 3 1.549 110.494 -31.75 0.1840 9 H3 H1 E 8 6 4 1.091 107.825 63.24 0.0000 10 C4 Cg 3 8 6 4 1.545 111.008 -55.58 0.3510 11 H4 H1 E 10 8 6 1.091 110.279 -64.03 0.0000 12 C5 Cg 3 10 8 6 1.543 110.247 57.45 0.2750 13 H5E H1 E 12 10 8 1.090 110.034 -173.80 0.0000 14 H5A H1 E 12 10 8 1.092 109.852 67.71 0.0000 15 O5 Os E 12 10 8 1.490 111.684 -52.70 -0.4870 16 O4 Oh S 10 8 6 1.447 108.954 176.38 -0.7110 17 H4O Ho E 16 10 8 0.966 106.152 48.96 0.4220 18 O3 Oh S 8 6 4 1.459 111.377 -179.63 -0.6550 19 H3O Ho E 18 8 6 0.962 110.146 -45.63 0.4170 20 O2 Oh S 6 4 3 1.458 109.515 -153.38 -0.6780 21 H2O Ho E 20 6 4 0.962 110.757 -69.34 0.4320 LOOP O5 C1 DONE 0DB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480 5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000 6 O5 Os S 4 3 2 1.480 43.169 119.64 -0.5190 7 C5 Cg 3 6 4 3 1.480 115.118 -158.52 0.2750 8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000 9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000 10 C4 Cg 3 7 6 4 1.539 110.071 56.42 0.3350 11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000 12 O4 Oh S 10 7 6 1.436 107.087 -169.38 -0.7090 13 H4O Ho E 12 10 7 0.960 109.449 -179.03 0.4360 14 C3 Cg 3 10 7 6 1.543 111.797 -50.34 0.2010 15 H3 H1 E 14 10 7 1.092 109.081 -68.08 0.0000 16 O3 Oh S 14 10 7 1.440 109.833 173.78 -0.7010 17 H3O Ho E 16 14 10 0.960 109.476 58.38 0.4320 18 C2 Cg B 14 10 7 1.543 112.432 51.79 0.2260 19 H2 H1 E 18 14 10 1.091 110.138 -175.60 0.0000 20 O2 Oh S 18 14 10 1.446 109.378 64.40 -0.6450 21 H2O Ho E 20 18 14 0.960 109.425 -178.57 0.4150 LOOP C2 C1 DONE 0DD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800 5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000 6 C2 Cg 3 4 3 2 1.631 107.390 17.90 0.2290 7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000 8 C3 Cg 3 6 4 3 1.641 106.976 -85.59 0.2980 9 H3 H1 E 8 6 4 1.090 111.055 137.68 0.0000 10 C4 Cg 3 8 6 4 1.624 106.916 15.94 0.1890 11 H4 H1 E 10 8 6 1.091 107.278 99.07 0.0000 12 C5 Cg 3 10 8 6 1.537 117.355 -138.29 0.3050 13 H52 H1 E 12 10 8 1.090 110.349 -57.47 0.0000 14 H51 H1 E 12 10 8 1.090 110.600 62.82 0.0000 15 O5 Oh S 12 10 8 1.438 108.908 -177.29 -0.6970 16 H5O Ho E 15 12 10 0.962 108.141 -56.44 0.4140 17 O4 Os E 10 8 6 1.588 104.960 -15.19 -0.4230 18 O3 Oh S 8 6 4 1.446 108.928 -102.08 -0.6780 19 H3O Ho E 18 8 6 0.969 106.468 -24.27 0.4170 20 O2 Oh S 6 4 3 1.459 112.707 149.62 -0.6510 21 H2O Ho E 20 6 4 0.964 109.258 -67.04 0.4110 LOOP O4 C1 DONE 0DU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360 5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000 6 O4 Os S 4 3 2 1.554 137.950 -176.42 -0.5170 7 C4 Cg 3 6 4 3 1.588 113.584 155.63 0.1350 8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000 9 C5 Cg 3 7 6 4 1.542 110.504 119.77 0.3730 10 H52 H1 E 9 7 6 1.091 110.456 -60.02 0.0000 11 H51 H1 E 9 7 6 1.090 109.887 -179.59 0.0000 12 O5 Oh S 9 7 6 1.439 110.322 60.67 -0.7250 13 H5O Ho E 12 9 7 0.959 109.321 36.11 0.4180 14 C3 Cg 3 7 6 4 1.620 104.668 -4.25 0.3000 15 H3 H1 E 14 7 6 1.091 107.749 -104.45 0.0000 16 O3 Oh S 14 7 6 1.446 112.944 136.27 -0.6420 17 H3O Ho E 16 14 7 0.970 106.239 -112.71 0.4050 18 C2 Cg B 14 7 6 1.642 107.806 11.75 0.2840 19 H2 H1 E 18 14 7 1.089 110.775 -134.90 0.0000 20 O2 Oh S 18 14 7 1.464 109.295 105.12 -0.6800 21 H2O Ho E 20 18 14 0.969 107.470 -139.03 0.4070 LOOP C2 C1 DONE 0EA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800 5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000 6 C2 Cg 3 4 3 2 1.545 97.720 -26.56 0.1790 7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000 8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280 9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000 10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610 11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000 12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740 13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000 14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590 15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000 16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000 17 O6 Oh S 14 12 10 1.434 108.916 -175.95 -0.6630 18 H6O Ho E 17 14 12 0.960 109.470 59.69 0.4060 19 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870 20 O4 Oh S 10 8 6 1.439 109.304 174.29 -0.7210 21 H4O Ho E 20 10 8 0.960 109.412 -61.37 0.4150 22 O3 Oh S 8 6 4 1.442 106.866 75.38 -0.7140 23 H3O Ho E 22 8 6 0.960 109.461 58.71 0.4200 24 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900 25 H2O Ho E 24 6 4 0.960 109.486 -57.88 0.4470 LOOP O5 C1 DONE 0EB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880 5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000 6 O5 Os S 4 3 2 1.468 132.805 171.02 -0.5320 7 C5 Cg 3 6 4 3 1.501 114.870 141.75 0.2570 8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000 9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780 10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000 11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000 12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770 13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080 14 C4 Cg 3 7 6 4 1.549 109.730 55.16 0.3200 15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000 16 O4 Oh S 14 7 6 1.457 110.564 -175.67 -0.7240 17 H4O Ho E 16 14 7 0.964 110.039 -157.92 0.4200 18 C3 Cg 3 14 7 6 1.554 111.196 -53.07 0.3150 19 H3 H1 E 18 14 7 1.091 109.198 176.72 0.0000 20 O3 Oh S 18 14 7 1.454 110.601 -64.53 -0.6810 21 H3O Ho E 20 18 14 0.965 108.397 -50.06 0.4030 22 C2 Cg B 18 14 7 1.540 111.264 55.77 0.1840 23 H2 H1 E 22 18 14 1.091 109.856 -175.33 0.0000 24 O2 Oh S 22 18 14 1.463 107.825 66.95 -0.6970 25 H2O Ho E 24 22 18 0.966 108.305 -175.24 0.4320 LOOP C2 C1 DONE 0FA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990 5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000 6 C2 Cg 3 4 3 2 1.566 103.719 15.57 0.4560 7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000 8 C3 Cg 3 6 4 3 1.550 109.810 -22.26 0.2280 9 H3 H1 E 8 6 4 1.091 109.256 60.66 0.0000 10 C4 Cg 3 8 6 4 1.549 109.944 -58.35 0.2630 11 H4 H1 E 10 8 6 1.091 108.978 175.77 0.0000 12 C5 Cg 3 10 8 6 1.554 111.442 55.77 0.1870 13 H5 H1 E 12 10 8 1.091 107.126 67.59 0.0000 14 C6 Cg 3 12 10 8 1.531 115.122 -173.47 0.0650 15 H63 Hc E 14 12 10 1.090 111.280 -55.79 0.0000 16 H62 Hc E 14 12 10 1.091 111.136 -175.22 0.0000 17 H61 Hc E 14 12 10 1.091 112.013 64.74 0.0000 18 O5 Os E 12 10 8 1.495 111.650 -50.00 -0.4940 19 O4 Oh S 10 8 6 1.452 109.204 -66.42 -0.7390 20 H4O Ho E 19 10 8 0.966 107.152 -53.10 0.4470 21 O3 Oh S 8 6 4 1.464 112.278 179.81 -0.6930 22 H3O Ho E 21 8 6 0.965 108.720 -78.93 0.4260 23 O2 Oh S 6 4 3 1.463 112.192 101.91 -0.8040 24 H2O Ho E 23 6 4 0.961 108.560 155.60 0.4530 LOOP O5 C1 DONE 0FB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180 5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000 6 O5 Os S 4 3 2 1.479 135.888 101.36 -0.4420 7 C5 Cg 3 6 4 3 1.481 116.331 175.37 0.1060 8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000 9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920 10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000 11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000 12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000 13 C4 Cg 3 7 6 4 1.543 108.818 59.65 0.2290 14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000 15 O4 Oh S 13 7 6 1.445 108.672 63.53 -0.6590 16 H4O Ho E 15 13 7 0.960 109.451 59.43 0.4230 17 C3 Cg 3 13 7 6 1.542 109.625 -56.43 0.2550 18 H3 H1 E 17 13 7 1.092 107.830 -66.01 0.0000 19 O3 Oh S 17 13 7 1.440 109.284 176.95 -0.6760 20 H3O Ho E 19 17 13 0.960 109.419 178.46 0.4270 21 C2 Cg B 17 13 7 1.542 112.898 54.44 0.3460 22 H2 H1 E 21 17 13 1.092 109.972 72.13 0.0000 23 O2 Oh S 21 17 13 1.439 107.835 -168.68 -0.7650 24 H2O Ho E 23 21 17 0.960 109.418 -179.92 0.4400 LOOP C2 C1 DONE 0GA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090 5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000 6 C2 Cg 3 4 3 2 1.556 111.527 7.33 0.2460 7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000 8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860 9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000 10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540 11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000 12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830 13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000 14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760 15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000 16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000 17 O6 Oh S 14 12 10 1.444 110.823 -165.78 -0.6820 18 H6O Ho E 17 14 12 0.960 109.735 78.35 0.4180 19 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740 20 O4 Oh S 10 8 6 1.451 108.956 174.69 -0.7100 21 H4O Ho E 20 10 8 0.968 107.227 50.66 0.4360 22 O3 Oh S 8 6 4 1.452 108.531 -172.18 -0.6990 23 H3O Ho E 22 8 6 0.967 107.382 -43.08 0.4270 24 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130 25 H2O Ho E 24 6 4 0.967 109.170 -40.31 0.4370 LOOP O5 C1 DONE 0GB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840 5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000 6 O5 Os S 4 3 2 1.466 129.972 169.02 -0.4710 7 C5 Cg 3 6 4 3 1.495 115.297 142.28 0.2250 8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000 9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820 10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000 11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000 12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880 13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240 14 C4 Cg 3 7 6 4 1.543 108.909 58.25 0.2760 15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000 16 O4 Oh S 14 7 6 1.448 108.899 -174.36 -0.7140 17 H4O Ho E 16 14 7 0.967 107.435 172.17 0.4400 18 C3 Cg 3 14 7 6 1.548 111.306 -54.04 0.2840 19 H3 H1 E 18 14 7 1.092 109.104 -67.30 0.0000 20 O3 Oh S 18 14 7 1.454 108.817 174.47 -0.7090 21 H3O Ho E 20 18 14 0.967 107.396 -174.95 0.4320 22 C2 Cg B 18 14 7 1.545 112.113 53.55 0.3100 23 H2 H1 E 22 18 14 1.092 109.394 68.33 0.0000 24 O2 Oh S 22 18 14 1.458 108.975 -172.91 -0.7180 25 H2O Ho E 24 22 18 0.966 108.053 175.61 0.4370 LOOP C2 C1 DONE 0GL INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140 5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960 6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260 7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260 8 C3 Cg 3 4 3 2 1.554 103.130 21.44 0.0400 9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000 10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000 11 C4 Cg 3 8 4 3 1.542 111.835 -128.45 0.3750 12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000 13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560 14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000 15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900 16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000 17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610 18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000 19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810 20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000 21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520 22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000 23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000 24 O9 Oh S 21 19 17 1.442 110.110 -178.23 -0.6810 25 H9O Ho E 24 21 19 0.966 105.599 -41.84 0.4170 26 O8 Oh S 19 17 15 1.465 109.875 -55.42 -0.6830 27 H8O Ho E 26 19 17 0.989 111.171 71.70 0.4230 28 O7 Oh S 17 15 13 1.451 109.645 -51.18 -0.7120 29 H7O Ho E 28 17 15 0.975 109.093 67.68 0.4080 30 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040 31 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570 32 H5N H E 31 13 11 1.009 118.343 39.83 0.3120 33 C5N C B 31 13 11 1.340 123.871 -145.50 0.6520 34 CME Cg 3 33 31 13 1.585 118.309 179.32 0.2780 35 H2M H1 E 34 33 31 1.090 107.247 -134.99 0.0000 36 H1M H1 E 34 33 31 1.090 107.406 109.99 0.0000 37 OHG Oh S 34 33 31 1.456 118.581 -12.68 -0.6530 38 HOG Ho E 37 34 33 0.961 109.618 -127.32 0.3850 39 O5N O E 33 31 13 1.229 120.643 -1.25 -0.6120 40 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990 41 H4O Ho E 40 11 8 0.960 109.015 167.74 0.4350 LOOP O6 C2 DONE 0HA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940 5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000 6 C2 Cg 3 4 3 2 1.554 100.578 20.48 0.2480 7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000 8 C3 Cg 3 6 4 3 1.545 110.654 -24.92 0.2360 9 H3 H1 E 8 6 4 1.092 108.370 66.81 0.0000 10 C4 Cg 3 8 6 4 1.545 112.380 -53.49 0.1870 11 H4 H1 E 10 8 6 1.091 109.690 -65.16 0.0000 12 C5 Cg 3 10 8 6 1.549 110.317 55.89 0.2790 13 H5 H1 E 12 10 8 1.092 108.902 66.22 0.0000 14 C6 Cg 3 12 10 8 1.530 113.869 -172.74 0.0230 15 H63 Hc E 14 12 10 1.090 111.509 -61.06 0.0000 16 H62 Hc E 14 12 10 1.091 111.314 179.43 0.0000 17 H61 Hc E 14 12 10 1.091 111.668 59.25 0.0000 18 O5 Os E 12 10 8 1.486 110.695 -52.49 -0.4610 19 O4 Oh S 10 8 6 1.456 108.727 175.97 -0.6440 20 H4O Ho E 19 10 8 0.963 110.183 165.58 0.4050 21 O3 Oh S 8 6 4 1.452 109.719 -175.81 -0.6490 22 H3O Ho E 21 8 6 0.965 106.808 176.43 0.4250 23 O2 Oh S 6 4 3 1.456 109.547 -146.01 -0.6700 24 H2O Ho E 23 6 4 0.965 106.818 171.13 0.4210 LOOP O5 C1 DONE 0HB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810 5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000 6 O5 Os S 4 3 2 1.479 92.197 -66.81 -0.4270 7 C5 Cg 3 6 4 3 1.483 115.750 -171.42 0.1720 8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000 9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390 10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000 11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000 12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000 13 C4 Cg 3 7 6 4 1.547 109.717 55.61 0.3880 14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000 15 O4 Oh S 13 7 6 1.438 107.632 -167.68 -0.7280 16 H4O Ho E 15 13 7 0.960 109.440 -59.01 0.4320 17 C3 Cg 3 13 7 6 1.543 112.131 -48.94 0.1820 18 H3 H1 E 17 13 7 1.092 109.049 -68.66 0.0000 19 O3 Oh S 17 13 7 1.440 109.818 173.25 -0.6650 20 H3O Ho E 19 17 13 0.960 109.425 57.73 0.4180 21 C2 Cg B 17 13 7 1.542 112.684 51.25 0.2430 22 H2 H1 E 21 17 13 1.091 110.140 -175.78 0.0000 23 O2 Oh S 21 17 13 1.446 109.350 64.20 -0.6730 24 H2O Ho E 23 21 17 0.960 109.408 59.77 0.4320 LOOP C2 C1 DONE 0JA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140 5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100 6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000 7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000 8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560 9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050 10 C3 Cg 3 4 3 2 1.561 108.078 4.40 0.2710 11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000 12 C4 Cg 3 10 4 3 1.550 111.054 -149.95 0.2810 13 H4 H1 E 12 10 4 1.091 108.892 64.55 0.0000 14 C5 Cg 3 12 10 4 1.547 111.417 -55.51 0.2730 15 H5 H1 E 14 12 10 1.091 109.946 -64.34 0.0000 16 C6 Cg 3 14 12 10 1.541 110.532 56.44 0.3680 17 H6E H1 E 16 14 12 1.090 110.023 -172.59 0.0000 18 H6A H1 E 16 14 12 1.091 109.951 68.78 0.0000 19 O6 Os E 16 14 12 1.489 111.422 -51.66 -0.5040 20 O5 Oh S 14 12 10 1.453 109.662 176.22 -0.6990 21 H5O Ho E 20 14 12 0.965 108.090 56.66 0.4190 22 O4 Oh S 12 10 4 1.460 109.496 -177.99 -0.6720 23 H4O Ho E 22 12 10 0.964 109.388 -81.32 0.4130 24 O3 Oh S 10 4 3 1.458 110.234 89.20 -0.6540 25 H3O Ho E 24 10 4 0.966 107.634 165.84 0.4250 LOOP O6 C2 DONE 0JB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130 5 O6 Os S 4 3 2 1.484 136.913 168.93 -0.5510 6 C6 Cg 3 5 4 3 1.484 117.065 151.25 0.2920 7 H6E H1 E 6 5 4 1.090 109.046 175.12 0.0000 8 H6A H1 E 6 5 4 1.091 108.728 -67.49 0.0000 9 C5 Cg 3 6 5 4 1.547 111.063 53.76 0.3740 10 H5 H1 E 9 6 5 1.091 108.987 71.66 0.0000 11 O5 Oh S 9 6 5 1.455 109.300 -169.66 -0.7290 12 H5O Ho E 11 9 6 0.962 111.074 52.54 0.4260 13 C4 Cg 3 9 6 5 1.550 111.895 -49.63 0.1550 14 H4 H1 E 13 9 6 1.090 108.402 -67.51 0.0000 15 O4 Oh S 13 9 6 1.459 110.935 175.25 -0.6840 16 H4O Ho E 15 13 9 0.968 109.165 45.21 0.4380 17 C3 Cg B 13 9 6 1.551 111.966 52.01 0.3630 18 H3 H1 E 17 13 9 1.091 109.562 -175.27 0.0000 19 O3 Oh S 17 13 9 1.461 107.359 67.28 -0.7250 20 H3O Ho E 19 17 13 0.967 106.570 50.21 0.4320 21 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800 22 H12 H1 E 21 4 3 1.091 109.821 33.19 0.0000 23 H11 H1 E 21 4 3 1.089 110.419 151.32 0.0000 24 O1 Oh S 21 4 3 1.444 112.820 -88.26 -0.7220 25 H1O Ho E 24 21 4 0.965 107.671 41.74 0.4320 LOOP C3 C2 DONE 0JD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920 5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890 6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000 7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000 8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540 9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800 10 C3 Cg 3 4 3 2 1.637 108.016 16.20 0.3930 11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000 12 C4 Cg 3 10 4 3 1.642 105.965 138.66 0.2330 13 H4 H1 E 12 10 4 1.090 107.367 95.04 0.0000 14 C5 Cg 3 12 10 4 1.625 107.375 -19.81 0.1900 15 H5 H1 E 14 12 10 1.091 108.940 130.16 0.0000 16 C6 Cg 3 14 12 10 1.542 114.908 -106.54 0.3400 17 H62 H1 E 16 14 12 1.090 110.250 66.65 0.0000 18 H61 H1 E 16 14 12 1.090 110.186 -52.85 0.0000 19 O6 Oh S 16 14 12 1.441 110.517 -172.30 -0.7250 20 H6O Ho E 19 16 14 0.959 110.296 58.30 0.4250 21 O5 Os E 14 12 10 1.585 104.597 13.44 -0.4100 22 O4 Oh S 12 10 4 1.458 113.311 -146.22 -0.6710 23 H4O Ho E 22 12 10 0.965 110.086 -102.72 0.4140 24 O3 Oh S 10 4 3 1.455 110.333 22.08 -0.7480 25 H3O Ho E 24 10 4 0.969 106.278 138.38 0.4460 LOOP O5 C2 DONE 0JU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510 5 O5 Os S 4 3 2 1.569 141.794 -176.42 -0.3890 6 C5 Cg 3 5 4 3 1.585 113.364 166.72 0.1000 7 H5 H1 E 6 5 4 1.089 109.200 -122.53 0.0000 8 C6 Cg 3 6 5 4 1.537 108.498 118.12 0.3490 9 H62 H1 E 8 6 5 1.089 110.316 -54.99 0.0000 10 H61 H1 E 8 6 5 1.090 111.054 -175.70 0.0000 11 O6 Oh S 8 6 5 1.435 108.026 64.54 -0.6840 12 H6O Ho E 11 8 6 0.962 107.568 -44.32 0.4110 13 C4 Cg 3 6 5 4 1.619 104.895 -5.59 0.2840 14 H4 H1 E 13 6 5 1.091 107.554 -103.32 0.0000 15 O4 Oh S 13 6 5 1.442 113.035 137.27 -0.6570 16 H4O Ho E 15 13 6 0.969 105.977 -113.16 0.4100 17 C3 Cg B 13 6 5 1.639 107.844 12.75 0.2230 18 H3 H1 E 17 13 6 1.090 110.597 -136.61 0.0000 19 O3 Oh S 17 13 6 1.460 109.186 103.85 -0.6710 20 H3O Ho E 19 17 13 0.971 106.808 -128.68 0.4160 21 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330 22 H12 H1 E 21 4 3 1.090 110.121 39.98 0.0000 23 H11 H1 E 21 4 3 1.090 109.574 158.57 0.0000 24 O1 Oh S 21 4 3 1.448 111.622 -81.07 -0.6970 25 H1O Ho E 24 21 4 0.961 109.656 -173.81 0.4150 LOOP C3 C2 DONE 0KA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730 5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000 6 C2 Cg 3 4 3 2 1.544 98.979 -28.09 0.2810 7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000 8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540 9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000 10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960 11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000 12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010 13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000 14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870 15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000 16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000 17 O6 Oh S 14 12 10 1.434 108.908 -172.15 -0.6910 18 H6O Ho E 17 14 12 0.960 109.471 59.53 0.4220 19 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400 20 O4 Oh S 10 8 6 1.440 107.338 -72.13 -0.7120 21 H4O Ho E 20 10 8 0.960 109.466 -178.56 0.4200 22 O3 Oh S 8 6 4 1.440 110.218 69.79 -0.7440 23 H3O Ho E 22 8 6 0.960 109.437 59.70 0.4360 24 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160 25 H2O Ho E 24 6 4 0.960 109.409 -63.57 0.4270 LOOP O5 C1 DONE 0KB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490 5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000 6 O5 Os S 4 3 2 1.465 133.014 166.49 -0.5140 7 C5 Cg 3 6 4 3 1.499 115.030 146.87 0.3030 8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000 9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590 10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000 11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000 12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700 13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160 14 C4 Cg 3 7 6 4 1.553 110.891 55.18 0.2170 15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000 16 O4 Oh S 14 7 6 1.455 110.952 69.39 -0.7000 17 H4O Ho E 16 14 7 0.964 110.377 163.16 0.4250 18 C3 Cg 3 14 7 6 1.545 111.117 -51.77 0.2530 19 H3 H1 E 18 14 7 1.091 109.391 173.95 0.0000 20 O3 Oh S 18 14 7 1.452 107.992 -68.85 -0.7100 21 H3O Ho E 20 18 14 0.968 107.267 175.38 0.4420 22 C2 Cg B 18 14 7 1.547 111.988 52.75 0.3080 23 H2 H1 E 22 18 14 1.091 108.509 65.85 0.0000 24 O2 Oh S 22 18 14 1.462 109.337 -176.76 -0.7100 25 H2O Ho E 24 22 18 0.965 108.091 178.76 0.4260 LOOP C2 C1 DONE 0LA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650 5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000 6 C2 Cg 3 4 3 2 1.547 98.285 -29.06 0.3390 7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000 8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530 9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000 10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040 11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000 12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160 13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000 14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080 15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000 16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000 17 O6 Oh S 14 12 10 1.434 108.858 -172.60 -0.6840 18 H6O Ho E 17 14 12 0.960 109.466 59.52 0.4180 19 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270 20 O4 Oh S 10 8 6 1.445 109.785 -64.95 -0.6730 21 H4O Ho E 20 10 8 0.960 109.470 179.80 0.4360 22 O3 Oh S 8 6 4 1.440 110.035 -174.48 -0.7010 23 H3O Ho E 22 8 6 0.960 109.438 -57.69 0.4330 24 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240 25 H2O Ho E 24 6 4 0.960 109.415 -61.40 0.4310 LOOP O5 C1 DONE 0LB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740 5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000 6 O5 Os S 4 3 2 1.469 130.208 170.01 -0.4020 7 C5 Cg 3 6 4 3 1.495 116.010 144.53 0.1400 8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000 9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190 10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000 11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000 12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930 13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190 14 C4 Cg 3 7 6 4 1.545 110.103 55.47 0.2030 15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000 16 O4 Oh S 14 7 6 1.449 109.628 67.34 -0.6640 17 H4O Ho E 16 14 7 0.967 107.158 -172.89 0.4370 18 C3 Cg 3 14 7 6 1.546 110.517 -53.62 0.2590 19 H3 H1 E 18 14 7 1.092 108.098 -64.81 0.0000 20 O3 Oh S 18 14 7 1.455 109.126 178.29 -0.6940 21 H3O Ho E 20 18 14 0.967 107.449 -176.92 0.4330 22 C2 Cg B 18 14 7 1.547 112.254 55.04 0.3570 23 H2 H1 E 22 18 14 1.092 109.716 67.43 0.0000 24 O2 Oh S 22 18 14 1.459 108.705 -173.71 -0.7260 25 H2O Ho E 24 22 18 0.965 107.724 175.67 0.4320 LOOP C2 C1 DONE 0MA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330 5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000 6 C2 Cg 3 4 3 2 1.555 109.578 6.72 0.2450 7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000 8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520 9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000 10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260 11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000 12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760 13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000 14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660 15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000 16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000 17 O6 Oh S 14 12 10 1.444 110.952 -166.67 -0.6880 18 H6O Ho E 17 14 12 0.960 109.923 72.72 0.4220 19 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070 20 O4 Oh S 10 8 6 1.452 108.734 176.59 -0.7330 21 H4O Ho E 20 10 8 0.966 107.267 52.91 0.4380 22 O3 Oh S 8 6 4 1.461 109.595 -177.93 -0.6960 23 H3O Ho E 22 8 6 0.964 109.699 -74.81 0.4310 24 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170 25 H2O Ho E 24 6 4 0.965 108.621 167.29 0.4460 LOOP O5 C1 DONE 0MB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140 5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000 6 O5 Os S 4 3 2 1.470 130.200 172.77 -0.3930 7 C5 Cg 3 6 4 3 1.498 115.894 145.97 0.2060 8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000 9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730 10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000 11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000 12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800 13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190 14 C4 Cg 3 7 6 4 1.550 110.843 51.87 0.3490 15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000 16 O4 Oh S 14 7 6 1.452 108.352 -170.58 -0.7460 17 H4O Ho E 16 14 7 0.963 108.380 -159.72 0.4430 18 C3 Cg 3 14 7 6 1.553 110.419 -50.51 0.2630 19 H3 H1 E 18 14 7 1.092 108.588 -60.79 0.0000 20 O3 Oh S 18 14 7 1.457 111.995 -178.50 -0.6920 21 H3O Ho E 20 18 14 0.962 109.624 81.59 0.4300 22 C2 Cg B 18 14 7 1.547 110.623 57.43 0.2410 23 H2 H1 E 22 18 14 1.091 110.076 180.00 0.0000 24 O2 Oh S 22 18 14 1.459 110.769 59.28 -0.6640 25 H2O Ho E 24 22 18 0.964 107.524 -173.81 0.4310 LOOP C2 C1 DONE 0NA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780 5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000 6 C2 Cg 3 4 3 2 1.545 95.682 -23.53 0.2280 7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000 8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300 9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000 10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670 11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000 12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040 13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000 14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800 15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000 16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000 17 O6 Oh S 14 12 10 1.434 109.011 -175.88 -0.6630 18 H6O Ho E 17 14 12 0.960 109.493 59.88 0.3960 19 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110 20 O4 Oh S 10 8 6 1.439 109.206 176.30 -0.7330 21 H4O Ho E 20 10 8 0.960 109.442 -63.39 0.4440 22 O3 Oh S 8 6 4 1.445 109.604 67.22 -0.7140 23 H3O Ho E 22 8 6 0.960 109.446 176.58 0.4410 24 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680 25 H2O Ho E 24 6 4 0.960 109.386 -64.68 0.4150 LOOP O5 C1 DONE 0NB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220 5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000 6 O5 Os S 4 3 2 1.470 132.017 168.50 -0.5070 7 C5 Cg 3 6 4 3 1.500 115.850 146.97 0.1980 8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000 9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130 10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000 11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000 12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890 13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180 14 C4 Cg 3 7 6 4 1.547 108.536 56.26 0.2860 15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000 16 O4 Oh S 14 7 6 1.447 110.674 -178.31 -0.7070 17 H4O Ho E 16 14 7 0.966 108.053 84.25 0.4300 18 C3 Cg 3 14 7 6 1.546 111.303 -56.16 0.2340 19 H3 H1 E 18 14 7 1.092 109.685 177.82 0.0000 20 O3 Oh S 18 14 7 1.458 109.719 -63.09 -0.6150 21 H3O Ho E 20 18 14 0.967 107.516 169.04 0.3890 22 C2 Cg B 18 14 7 1.544 109.920 57.50 0.3010 23 H2 H1 E 22 18 14 1.093 108.226 64.66 0.0000 24 O2 Oh S 22 18 14 1.458 109.185 -178.16 -0.7030 25 H2O Ho E 24 22 18 0.966 108.382 -178.62 0.4240 LOOP C2 C1 DONE 0OA INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050 5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000 6 C2 Cg 3 4 3 2 1.563 111.265 10.63 0.4130 7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000 8 C3 Cg 3 6 4 3 1.548 110.939 -166.09 0.2510 9 H3 H1 E 8 6 4 1.092 108.206 62.18 0.0000 10 C4 Cg 3 8 6 4 1.551 110.284 -55.76 0.2670 11 H4 H1 E 10 8 6 1.091 109.469 -178.62 0.0000 12 C5 Cg 3 10 8 6 1.540 109.735 61.11 0.0540 13 H5 H1 E 12 10 8 1.092 108.800 60.69 0.0000 14 C6 C B 12 10 8 1.566 106.527 176.50 0.8960 15 O6A O2 E 14 12 10 1.252 116.529 -102.85 -0.8220 16 O6B O2 E 14 12 10 1.255 117.285 72.11 -0.8220 17 O5 Os E 12 10 8 1.515 109.060 -56.67 -0.4240 18 O4 Oh S 10 8 6 1.455 111.597 -58.02 -0.7040 19 H4O Ho E 18 10 8 0.981 106.629 154.94 0.4290 20 O3 Oh S 8 6 4 1.460 111.666 179.27 -0.7250 21 H3O Ho E 20 8 6 0.964 107.278 -33.23 0.4160 22 O2 Oh S 6 4 3 1.464 109.237 -44.39 -0.7710 23 H2O Ho E 22 6 4 0.966 105.614 -34.97 0.4310 LOOP O5 C1 DONE 0OB INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010 5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000 6 O5 Os S 4 3 2 1.462 130.396 170.60 -0.4140 7 C5 Cg 3 6 4 3 1.506 116.408 147.12 0.0490 8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000 9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380 10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940 11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940 12 C4 Cg 3 7 6 4 1.538 109.239 56.00 0.2600 13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000 14 O4 Oh S 12 7 6 1.450 109.662 65.53 -0.6610 15 H4O Ho E 14 12 7 0.961 107.547 -173.76 0.4020 16 C3 Cg 3 12 7 6 1.548 110.856 -55.41 0.2590 17 H3 H1 E 16 12 7 1.092 108.063 -63.15 0.0000 18 O3 Oh S 16 12 7 1.466 108.667 -179.51 -0.7080 19 H3O Ho E 18 16 12 0.961 109.065 79.16 0.4040 20 C2 Cg B 16 12 7 1.553 111.733 55.81 0.3830 21 H2 H1 E 20 16 12 1.091 109.497 69.57 0.0000 22 O2 Oh S 20 16 12 1.460 110.302 -170.66 -0.7320 23 H2O Ho E 22 20 16 0.962 106.473 175.50 0.4010 LOOP C2 C1 DONE 0PA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170 5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270 6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000 7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000 8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440 9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930 10 C3 Cg 3 4 3 2 1.558 99.850 -27.83 0.1500 11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000 12 C4 Cg 3 10 4 3 1.543 115.259 -167.84 0.3940 13 H4 H1 E 12 10 4 1.091 110.047 -172.55 0.0000 14 C5 Cg 3 12 10 4 1.541 108.511 -52.13 0.1530 15 H5 H1 E 14 12 10 1.091 108.437 -65.69 0.0000 16 C6 Cg 3 14 12 10 1.536 113.177 54.52 0.3930 17 H6E H1 E 16 14 12 1.090 110.388 -174.85 0.0000 18 H6A H1 E 16 14 12 1.091 110.767 65.28 0.0000 19 O6 Os E 16 14 12 1.482 109.077 -55.00 -0.5980 20 O5 Oh S 14 12 10 1.437 110.081 176.63 -0.6930 21 H5O Ho E 20 14 12 0.960 109.495 56.94 0.4280 22 O4 Oh S 12 10 4 1.445 109.700 67.72 -0.7020 23 H4O Ho E 22 12 10 0.960 109.435 60.08 0.4320 24 O3 Oh S 10 4 3 1.441 111.232 -41.58 -0.6650 25 H3O Ho E 24 10 4 0.960 109.411 -63.14 0.4090 LOOP O6 C2 DONE 0PB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070 5 O6 Os S 4 3 2 1.479 135.293 168.58 -0.5400 6 C6 Cg 3 5 4 3 1.483 117.190 146.77 0.3640 7 H6E H1 E 6 5 4 1.090 109.004 179.12 0.0000 8 H6A H1 E 6 5 4 1.091 109.618 -62.69 0.0000 9 C5 Cg 3 6 5 4 1.540 108.996 58.93 0.1880 10 H5 H1 E 9 6 5 1.091 108.080 63.62 0.0000 11 O5 Oh S 9 6 5 1.454 110.659 -178.62 -0.7050 12 H5O Ho E 11 9 6 0.967 108.400 85.69 0.4330 13 C4 Cg 3 9 6 5 1.546 111.137 -55.37 0.3280 14 H4 H1 E 13 9 6 1.091 109.097 173.70 0.0000 15 O4 Oh S 13 9 6 1.453 109.563 -68.11 -0.6980 16 H4O Ho E 15 13 9 0.967 106.113 178.47 0.4270 17 C3 Cg B 13 9 6 1.548 111.648 53.12 0.1800 18 H3 H1 E 17 13 9 1.092 106.115 68.15 0.0000 19 O3 Oh S 17 13 9 1.462 110.163 -176.47 -0.6810 20 H3O Ho E 19 17 13 0.967 108.335 -167.48 0.4220 21 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790 22 H12 H1 E 21 4 3 1.091 110.003 43.55 0.0000 23 H11 H1 E 21 4 3 1.088 110.382 162.11 0.0000 24 O1 Oh S 21 4 3 1.452 112.720 -77.60 -0.7200 25 H1O Ho E 24 21 4 0.961 109.403 -178.93 0.4100 LOOP C3 C2 DONE 0PD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240 5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860 6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000 7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000 8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910 9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190 10 C3 Cg 3 4 3 2 1.632 94.644 -17.33 0.3340 11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000 12 C4 Cg 3 10 4 3 1.629 107.129 121.35 0.2820 13 H4 H1 E 12 10 4 1.091 111.828 -141.87 0.0000 14 C5 Cg 3 12 10 4 1.626 106.867 -18.01 0.1940 15 H5 H1 E 14 12 10 1.092 111.109 129.12 0.0000 16 C6 Cg 3 14 12 10 1.529 112.801 -107.47 0.2910 17 H62 H1 E 16 14 12 1.091 110.695 60.83 0.0000 18 H61 H1 E 16 14 12 1.090 110.281 -59.44 0.0000 19 O6 Oh S 16 14 12 1.433 108.604 -178.96 -0.6950 20 H6O Ho E 19 16 14 0.960 109.454 59.02 0.4110 21 O5 Os E 14 12 10 1.580 105.532 10.85 -0.4530 22 O4 Oh S 12 10 4 1.437 109.593 96.29 -0.6830 23 H4O Ho E 22 12 10 0.960 109.464 62.85 0.4210 24 O3 Oh S 10 4 3 1.441 114.290 -111.78 -0.6610 25 H3O Ho E 24 10 4 0.960 109.502 178.91 0.4150 LOOP O5 C2 DONE 0PU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880 5 O5 Os S 4 3 2 1.576 153.289 123.56 -0.4800 6 C5 Cg 3 5 4 3 1.576 112.884 -156.65 0.3690 7 H5 H1 E 6 5 4 1.092 109.275 -128.49 0.0000 8 C6 Cg 3 6 5 4 1.529 108.414 112.31 0.2150 9 H62 H1 E 8 6 5 1.091 110.659 -56.54 0.0000 10 H61 H1 E 8 6 5 1.090 110.301 -176.80 0.0000 11 O6 Oh S 8 6 5 1.433 108.649 63.62 -0.6780 12 H6O Ho E 11 8 6 0.960 109.500 58.51 0.4210 13 C4 Cg 3 6 5 4 1.623 105.494 -8.76 0.1920 14 H4 H1 E 13 6 5 1.091 112.074 133.66 0.0000 15 O4 Oh S 13 6 5 1.438 106.122 -107.17 -0.7110 16 H4O Ho E 15 13 6 0.960 109.445 -63.95 0.4380 17 C3 Cg B 13 6 5 1.631 107.338 11.41 0.3340 18 H3 H1 E 17 13 6 1.091 107.070 107.51 0.0000 19 O3 Oh S 17 13 6 1.441 112.809 -134.73 -0.7140 20 H3O Ho E 19 17 13 0.960 109.493 -55.92 0.4240 21 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650 22 H12 H1 E 21 4 3 1.091 110.660 23.30 0.0000 23 H11 H1 E 21 4 3 1.090 109.918 142.71 0.0000 24 O1 Oh S 21 4 3 1.437 110.203 -97.59 -0.6870 25 H1O Ho E 24 21 4 0.960 109.513 179.45 0.4180 LOOP C3 C2 DONE 0QA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650 5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000 6 C2 Cg 3 4 3 2 1.556 100.905 19.24 0.2810 7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000 8 C3 Cg 3 6 4 3 1.550 110.755 -28.22 0.3120 9 H3 H1 E 8 6 4 1.092 109.248 69.54 0.0000 10 C4 Cg 3 8 6 4 1.550 112.115 -52.01 0.2080 11 H4 H1 E 10 8 6 1.092 109.113 -67.92 0.0000 12 C5 Cg 3 10 8 6 1.546 111.848 52.85 0.2340 13 H5 H1 E 12 10 8 1.092 108.966 67.39 0.0000 14 C6 Cg 3 12 10 8 1.531 114.081 -171.50 0.0600 15 H63 Hc E 14 12 10 1.091 111.703 58.97 0.0000 16 H62 Hc E 14 12 10 1.091 111.508 -61.39 0.0000 17 H61 Hc E 14 12 10 1.091 111.279 179.14 0.0000 18 O5 Os E 12 10 8 1.487 110.112 -51.22 -0.5590 19 O4 Oh S 10 8 6 1.456 109.169 173.44 -0.6640 20 H4O Ho E 19 10 8 0.963 110.329 161.22 0.4030 21 O3 Oh S 8 6 4 1.451 110.060 -171.22 -0.6970 22 H3O Ho E 21 8 6 0.963 107.525 178.74 0.4240 23 O2 Oh S 6 4 3 1.464 109.956 96.40 -0.6950 24 H2O Ho E 23 6 4 0.963 109.360 -58.41 0.4220 LOOP O5 C1 DONE 0QB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910 5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000 6 O5 Os S 4 3 2 1.461 131.794 163.13 -0.5350 7 C5 Cg 3 6 4 3 1.486 115.375 148.89 0.2710 8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000 9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480 10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000 11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000 12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000 13 C4 Cg 3 7 6 4 1.548 109.336 58.05 0.2500 14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000 15 O4 Oh S 13 7 6 1.451 108.892 -172.72 -0.7130 16 H4O Ho E 15 13 7 0.966 107.748 175.11 0.4210 17 C3 Cg 3 13 7 6 1.549 111.410 -52.29 0.3000 18 H3 H1 E 17 13 7 1.092 108.988 -68.86 0.0000 19 O3 Oh S 17 13 7 1.454 108.773 173.08 -0.6890 20 H3O Ho E 19 17 13 0.966 107.391 -175.24 0.4200 21 C2 Cg B 17 13 7 1.546 112.577 52.00 0.3230 22 H2 H1 E 21 17 13 1.092 109.469 68.14 0.0000 23 O2 Oh S 21 17 13 1.460 109.130 -172.95 -0.7130 24 H2O Ho E 23 21 17 0.966 107.987 174.66 0.4200 LOOP C2 C1 DONE 0RA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880 5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000 6 C2 Cg 3 4 3 2 1.547 95.699 -25.09 0.2530 7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000 8 C3 Cg 3 6 4 3 1.542 115.155 -166.91 0.3450 9 H3 H1 E 8 6 4 1.091 110.101 -172.87 0.0000 10 C4 Cg 3 8 6 4 1.542 108.334 -52.41 0.1220 11 H4 H1 E 10 8 6 1.091 108.377 -66.41 0.0000 12 C5 Cg 3 10 8 6 1.537 113.340 53.79 0.3770 13 H5E H1 E 12 10 8 1.090 110.366 -174.24 0.0000 14 H5A H1 E 12 10 8 1.091 110.701 65.98 0.0000 15 O5 Os E 12 10 8 1.483 109.246 -54.31 -0.5610 16 O4 Oh S 10 8 6 1.437 110.093 175.95 -0.6630 17 H4O Ho E 16 10 8 0.960 109.433 -63.23 0.4190 18 O3 Oh S 8 6 4 1.445 109.646 67.35 -0.7370 19 H3O Ho E 18 8 6 0.960 109.441 178.00 0.4430 20 O2 Oh S 6 4 3 1.439 110.676 -40.46 -0.7110 21 H2O Ho E 20 6 4 0.960 109.367 -64.82 0.4190 LOOP O5 C1 DONE 0RB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810 5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000 6 O5 Os S 4 3 2 1.470 130.910 172.20 -0.5760 7 C5 Cg 3 6 4 3 1.488 115.378 141.01 0.3350 8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000 9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000 10 C4 Cg 3 7 6 4 1.549 109.926 54.38 0.2360 11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000 12 O4 Oh S 10 7 6 1.453 110.505 -177.82 -0.6950 13 H4O Ho E 12 10 7 0.963 110.348 -165.05 0.4110 14 C3 Cg 3 10 7 6 1.548 110.878 -55.20 0.2030 15 H3 H1 E 14 10 7 1.091 109.669 178.81 0.0000 16 O3 Oh S 14 10 7 1.460 108.674 -62.27 -0.6960 17 H3O Ho E 16 14 10 0.965 108.989 -56.44 0.4280 18 C2 Cg B 14 10 7 1.550 108.635 58.91 0.3850 19 H2 H1 E 18 14 10 1.092 108.039 58.75 0.0000 20 O2 Oh S 18 14 10 1.459 111.068 175.70 -0.7320 21 H2O Ho E 20 18 14 0.963 108.588 169.06 0.4140 LOOP C2 C1 DONE 0RD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450 5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000 6 C2 Cg 3 4 3 2 1.639 108.788 16.92 0.3180 7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000 8 C3 Cg 3 6 4 3 1.641 106.653 138.14 0.2750 9 H3 H1 E 8 6 4 1.090 110.829 -140.13 0.0000 10 C4 Cg 3 8 6 4 1.627 107.074 -17.90 0.3270 11 H4 H1 E 10 8 6 1.091 110.687 126.58 0.0000 12 C5 Cg 3 10 8 6 1.540 111.841 -110.98 0.1950 13 H52 H1 E 12 10 8 1.090 109.854 62.87 0.0000 14 H51 H1 E 12 10 8 1.090 109.790 -55.87 0.0000 15 O5 Oh S 12 10 8 1.441 111.480 -176.24 -0.6670 16 H5O Ho E 15 12 10 0.961 110.927 63.80 0.4080 17 O4 Os E 10 8 6 1.590 104.801 9.06 -0.5130 18 O3 Oh S 8 6 4 1.452 110.052 99.39 -0.7390 19 H3O Ho E 18 8 6 0.969 108.678 -13.86 0.4380 20 O2 Oh S 6 4 3 1.461 116.185 -94.11 -0.7090 21 H2O Ho E 20 6 4 0.962 110.320 178.71 0.4160 LOOP O4 C1 DONE 0RU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780 5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000 6 O4 Os S 4 3 2 1.557 127.421 149.85 -0.4240 7 C4 Cg 3 6 4 3 1.587 113.195 -122.12 0.1020 8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000 9 C5 Cg 3 7 6 4 1.534 111.781 126.34 0.3380 10 H52 H1 E 9 7 6 1.090 110.006 -172.13 0.0000 11 H51 H1 E 9 7 6 1.090 110.394 -52.52 0.0000 12 O5 Oh S 9 7 6 1.436 109.887 68.16 -0.6920 13 H5O Ho E 12 9 7 0.959 109.586 178.63 0.4150 14 C3 Cg 3 7 6 4 1.616 104.949 4.12 0.2890 15 H3 H1 E 14 7 6 1.091 109.320 105.86 0.0000 16 O3 Oh S 14 7 6 1.443 110.518 -134.81 -0.6830 17 H3O Ho E 16 14 7 0.968 106.484 98.07 0.4280 18 C2 Cg B 14 7 6 1.643 107.735 -11.40 0.2930 19 H2 H1 E 18 14 7 1.091 110.396 135.88 0.0000 20 O2 Oh S 18 14 7 1.462 110.605 -103.78 -0.6700 21 H2O Ho E 20 18 14 0.963 109.628 -173.50 0.4200 LOOP C2 C1 DONE 0SA INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370 5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890 6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610 7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610 8 C3 Cg 3 4 3 2 1.550 102.309 21.23 0.0060 9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000 10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000 11 C4 Cg 3 8 4 3 1.539 110.939 -128.80 0.3320 12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000 13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080 14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000 15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200 16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000 17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110 18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000 19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920 20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000 21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780 22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000 23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000 24 O9 Oh S 21 19 17 1.449 111.722 -176.90 -0.6890 25 H9O Ho E 24 21 19 0.965 107.018 -49.30 0.4080 26 O8 Oh S 19 17 15 1.460 109.072 -56.72 -0.7390 27 H8O Ho E 26 19 17 0.983 110.254 72.72 0.4120 28 O7 Oh S 17 15 13 1.460 110.189 -50.14 -0.7210 29 H7O Ho E 28 17 15 0.977 109.950 68.18 0.4350 30 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030 31 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290 32 H5N H E 31 13 11 1.007 117.476 40.91 0.2800 33 C5N C B 31 13 11 1.337 123.580 -145.57 0.6320 34 CME Cg 3 33 31 13 1.541 116.316 -179.71 -0.0030 35 H3M Hc E 34 33 31 1.092 110.905 -29.98 0.0000 36 H2M Hc E 34 33 31 1.091 109.813 -150.00 0.0000 37 H1M Hc E 34 33 31 1.091 109.337 90.47 0.0000 38 O5N O E 33 31 13 1.228 122.141 -0.64 -0.5930 39 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620 40 H4O Ho E 39 11 8 0.959 109.266 178.83 0.4150 LOOP O6 C2 DONE 0SB INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900 5 O6 Oy S 4 3 2 1.445 145.506 159.51 -0.3440 6 C6 Cg 3 5 4 3 1.443 119.813 -92.67 -0.0080 7 H6 H1 E 6 5 4 1.092 107.318 57.48 0.0000 8 C7 Cg 3 6 5 4 1.547 109.625 172.11 0.2780 9 H7 H1 E 8 6 5 1.091 107.450 -165.18 0.0000 10 O7 Oh S 8 6 5 1.449 109.778 78.46 -0.6560 11 H7O Ho E 10 8 6 0.974 109.644 69.17 0.3900 12 C8 Cg 3 8 6 5 1.556 114.439 -45.46 0.3670 13 H8 H1 E 12 8 6 1.091 109.577 68.20 0.0000 14 O8 Oh S 12 8 6 1.460 109.033 -50.18 -0.7040 15 H8O Ho E 14 12 8 0.967 107.039 66.84 0.3920 16 C9 Cg 3 12 8 6 1.547 112.389 -170.25 0.2010 17 H9S H1 E 16 12 8 1.090 110.247 -58.95 0.0000 18 H9R H1 E 16 12 8 1.091 110.087 60.19 0.0000 19 O9 Oh S 16 12 8 1.445 110.971 -179.23 -0.6720 20 H9O Ho E 19 16 12 0.965 106.904 -44.06 0.3930 21 C5 Cg 3 6 5 4 1.541 109.363 -58.37 0.5230 22 H5 H1 E 21 6 5 1.092 109.167 -66.57 0.0000 23 N5 Ng B 21 6 5 1.475 109.670 173.19 -0.6690 24 H5N H E 23 21 6 1.005 117.089 -78.72 0.2610 25 C5N C B 23 21 6 1.332 123.259 97.44 0.6780 26 O5N O E 25 23 21 1.226 121.725 -3.82 -0.6340 27 CME Cg 3 25 23 21 1.541 116.623 176.07 -0.0050 28 H3M Hc E 27 25 23 1.092 111.130 23.27 0.0000 29 H2M Hc E 27 25 23 1.091 109.294 -97.18 0.0000 30 H1M Hc E 27 25 23 1.091 109.699 143.39 0.0000 31 C4 Cg 3 21 6 5 1.555 110.257 52.05 0.2030 32 H4 H1 E 31 21 6 1.092 108.890 66.49 0.0000 33 O4 Oh S 31 21 6 1.460 112.068 -174.46 -0.7140 34 H4O Ho E 33 31 21 0.961 110.372 -59.82 0.3900 35 C3 Cg B 31 21 6 1.538 110.759 -52.78 0.1330 36 H3E Hc E 35 31 21 1.093 109.710 176.81 0.0000 37 H3A Hc E 35 31 21 1.093 108.781 -68.27 0.0000 38 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790 39 O1B O2 E 38 4 3 1.259 115.056 -18.63 -0.8390 40 O1A O2 E 38 4 3 1.254 119.478 159.58 -0.8390 LOOP C3 C2 DONE 0TA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560 5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000 6 C2 Cg 3 4 3 2 1.542 97.509 -29.95 0.2450 7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000 8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240 9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000 10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340 11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000 12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570 13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000 14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040 15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000 16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000 17 O6 Oh S 14 12 10 1.434 108.863 -172.31 -0.6690 18 H6O Ho E 17 14 12 0.960 109.462 59.57 0.4010 19 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800 20 O4 Oh S 10 8 6 1.443 110.261 -67.82 -0.7310 21 H4O Ho E 20 10 8 0.960 109.459 -179.88 0.4170 22 O3 Oh S 8 6 4 1.439 110.774 -174.86 -0.6870 23 H3O Ho E 22 8 6 0.960 109.479 -54.69 0.4420 24 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550 25 H2O Ho E 24 6 4 0.960 109.490 -58.28 0.4360 LOOP O5 C1 DONE 0TB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060 5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000 6 O5 Os S 4 3 2 1.481 138.682 106.96 -0.3540 7 C5 Cg 3 6 4 3 1.487 114.855 161.57 0.0310 8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000 9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490 10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000 11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000 12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660 13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060 14 C4 Cg 3 7 6 4 1.547 109.426 59.69 0.3140 15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000 16 O4 Oh S 14 7 6 1.443 108.917 69.31 -0.6260 17 H4O Ho E 16 14 7 0.960 109.455 59.28 0.4130 18 C3 Cg 3 14 7 6 1.547 110.218 -51.66 0.1740 19 H3 H1 E 18 14 7 1.091 106.762 -67.21 0.0000 20 O3 Oh S 18 14 7 1.439 110.707 177.22 -0.6780 21 H3O Ho E 20 18 14 0.960 109.373 -64.34 0.4250 22 C2 Cg B 18 14 7 1.545 114.890 50.96 0.3400 23 H2 H1 E 22 18 14 1.091 109.957 -172.30 0.0000 24 O2 Oh S 22 18 14 1.444 109.766 67.90 -0.6370 25 H2O Ho E 24 22 18 0.960 109.413 -178.32 0.3970 LOOP C2 C1 DONE 0TV INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.566 98.776 -135.85 0.4700 5 H1 H1 E 4 3 2 1.090 146.791 164.00 0.0000 6 C2 Cg 3 4 3 2 1.563 96.446 20.88 0.1910 7 H2 H1 E 6 4 3 1.091 108.990 87.96 0.0000 8 C3 Cg 3 6 4 3 1.535 113.371 -33.59 -0.0140 9 H32 Hc E 8 6 4 1.093 108.757 71.70 0.0000 10 H31 Hc E 8 6 4 1.093 110.603 -172.97 0.0000 11 C4 Cg 3 8 6 4 1.535 111.168 -49.67 0.3020 12 H4 H1 E 11 8 6 1.091 109.450 -67.40 0.0000 13 C5 Cg 3 11 8 6 1.553 112.112 54.29 0.3010 14 H5 H1 E 13 11 8 1.092 108.905 64.83 0.0000 15 C6 Cg 3 13 11 8 1.530 113.975 -174.02 0.0070 16 H63 Hc E 15 13 11 1.091 111.485 -61.33 0.0000 17 H62 Hc E 15 13 11 1.091 111.681 59.00 0.0000 18 H61 Hc E 15 13 11 1.091 111.306 179.18 0.0000 19 O5 Os E 13 11 8 1.490 110.400 -53.80 -0.5160 20 O4 Oh S 11 8 6 1.446 106.980 175.05 -0.7390 21 H4O Ho E 20 11 8 0.961 109.446 60.50 0.4390 22 O2 Oh S 6 4 3 1.451 110.808 -154.07 -0.6720 23 H2O Ho E 22 6 4 0.962 109.923 -165.71 0.4250 LOOP O5 C1 DONE 0Tv INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 29.383 69.065 -149.02 0.4280 5 H1 H1 E 4 3 2 1.091 126.101 64.42 0.0000 6 O5 Os S 4 3 2 1.478 96.692 -54.47 -0.4960 7 C5 Cg 3 6 4 3 1.481 115.346 -169.68 0.2710 8 H5 H1 E 7 6 4 1.092 108.331 -61.04 0.0000 9 C6 Cg 3 7 6 4 1.530 107.109 -178.07 0.0170 10 H63 Hc E 9 7 6 1.091 111.734 -62.25 0.0000 11 H62 Hc E 9 7 6 1.091 111.279 57.96 0.0000 12 H61 Hc E 9 7 6 1.091 111.431 177.43 0.0000 13 C4 Cg 3 7 6 4 1.544 108.725 57.81 0.2960 14 H4 H1 E 13 7 6 1.091 109.448 70.86 0.0000 15 O4 Oh S 13 7 6 1.436 108.510 -170.47 -0.7290 16 H4O Ho E 15 13 7 0.960 109.450 -58.57 0.4250 17 C3 Cg 3 13 7 6 1.542 113.120 -51.10 0.0070 18 H32 Hc E 17 13 7 1.093 110.063 -70.43 0.0000 19 H31 Hc E 17 13 7 1.092 110.313 173.67 0.0000 20 C2 Cg B 17 13 7 1.538 111.976 50.24 0.2080 21 H2 H1 E 20 17 13 1.091 109.586 -173.03 0.0000 22 O2 Oh S 20 17 13 1.442 107.633 68.93 -0.6440 23 H2O Ho E 22 20 17 0.960 109.465 59.04 0.4110 LOOP C2 C1 DONE 0UA INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630 5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000 6 C2 Cg 3 4 3 2 1.559 106.137 19.27 0.2590 7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000 8 C3 Cg 3 6 4 3 1.555 110.585 -134.12 0.4170 9 H3 H1 E 8 6 4 1.092 108.809 -73.26 0.0000 10 C4 Cg 3 8 6 4 1.551 113.490 47.73 0.2230 11 H4 H1 E 10 8 6 1.092 108.495 63.78 0.0000 12 C5 Cg 3 10 8 6 1.541 110.331 -54.77 0.2320 13 H5 H1 E 12 10 8 1.091 107.517 172.11 0.0000 14 C6 C B 12 10 8 1.591 111.292 -72.79 0.6970 15 O6A O2 E 14 12 10 1.252 118.306 124.19 -0.7570 16 O6B O2 E 14 12 10 1.255 117.111 -52.87 -0.7570 17 O5 Os E 12 10 8 1.503 106.777 57.99 -0.5150 18 O4 Oh S 10 8 6 1.461 110.962 -178.03 -0.7110 19 H4O Ho E 18 10 8 0.984 107.477 94.04 0.3970 20 O3 Oh S 8 6 4 1.454 110.391 168.10 -0.7710 21 H3O Ho E 20 8 6 0.966 105.279 -166.24 0.4170 22 O2 Oh S 6 4 3 1.469 109.784 103.84 -0.6850 23 H2O Ho E 22 6 4 0.960 110.184 68.39 0.3850 LOOP O5 C1 DONE 0UB INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780 5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000 6 O5 Os S 4 3 2 1.478 136.016 152.83 -0.4300 7 C5 Cg 3 6 4 3 1.512 117.828 -89.26 0.1940 8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000 9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500 10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830 11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830 12 C4 Cg 3 7 6 4 1.546 108.685 -54.23 0.3080 13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000 14 O4 Oh S 12 7 6 1.456 111.691 177.10 -0.7450 15 H4O Ho E 14 12 7 0.987 106.847 -27.71 0.4220 16 C3 Cg 3 12 7 6 1.552 112.015 52.87 0.2860 17 H3 H1 E 16 12 7 1.091 109.935 64.98 0.0000 18 O3 Oh S 16 12 7 1.460 108.958 -175.86 -0.7550 19 H3O Ho E 18 16 12 0.968 105.498 -44.40 0.4210 20 C2 Cg B 16 12 7 1.545 109.635 -56.37 0.2890 21 H2 H1 E 20 16 12 1.091 107.746 -60.80 0.0000 22 O2 Oh S 20 16 12 1.455 110.598 -177.09 -0.6800 23 H2O Ho E 22 20 16 0.964 105.470 34.40 0.4220 LOOP C2 C1 DONE 0VA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890 5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000 6 C2 Cg 3 4 3 2 1.564 98.936 18.14 0.3990 7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000 8 C3 Cg 3 6 4 3 1.551 110.856 -34.26 0.1760 9 H3 H1 E 8 6 4 1.091 108.463 65.04 0.0000 10 C4 Cg 3 8 6 4 1.547 111.657 -53.80 0.3260 11 H4 H1 E 10 8 6 1.091 109.161 175.84 0.0000 12 C5 Cg 3 10 8 6 1.548 111.081 55.51 0.1120 13 H5 H1 E 12 10 8 1.091 106.814 64.45 0.0000 14 C6 Cg 3 12 10 8 1.543 114.704 -178.15 0.3620 15 H62 H1 E 14 12 10 1.090 110.167 -176.18 0.0000 16 H61 H1 E 14 12 10 1.090 109.608 -57.43 0.0000 17 O6 Oh S 14 12 10 1.435 111.052 62.92 -0.7110 18 H6O Ho E 17 14 12 0.972 106.687 -28.27 0.4240 19 O5 Os E 12 10 8 1.497 110.914 -51.89 -0.4660 20 O4 Oh S 10 8 6 1.450 108.917 -66.09 -0.7010 21 H4O Ho E 20 10 8 0.968 106.613 -47.88 0.4420 22 O3 Oh S 8 6 4 1.462 112.217 -176.56 -0.6780 23 H3O Ho E 22 8 6 0.964 110.475 -57.52 0.4250 24 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950 25 H2N H E 24 6 4 1.007 117.335 -84.05 0.2380 26 C2N C B 24 6 4 1.336 122.570 82.01 0.6250 27 CME Cg 3 26 24 6 1.541 116.317 -175.68 0.0320 28 H3M Hc E 27 26 24 1.091 110.069 50.52 0.0000 29 H2M Hc E 27 26 24 1.091 110.181 170.34 0.0000 30 H1M Hc E 27 26 24 1.091 109.644 -69.76 0.0000 31 O2N O E 26 24 6 1.227 121.897 4.65 -0.6050 LOOP O5 C1 DONE 0VB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050 5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000 6 O5 Os S 4 3 2 1.472 131.894 169.48 -0.4080 7 C5 Cg 3 6 4 3 1.495 116.111 147.03 0.1360 8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000 9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530 10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000 11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000 12 O6 Oh S 9 7 6 1.436 108.896 63.69 -0.7140 13 H6O Ho E 12 9 7 0.962 107.704 -58.75 0.4270 14 C4 Cg 3 7 6 4 1.544 110.300 53.58 0.2530 15 H4 H1 E 14 7 6 1.091 109.265 -173.55 0.0000 16 O4 Oh S 14 7 6 1.445 109.653 67.69 -0.6900 17 H4O Ho E 16 14 7 0.968 108.059 -163.84 0.4400 18 C3 Cg 3 14 7 6 1.544 111.265 -52.85 0.1520 19 H3 H1 E 18 14 7 1.092 108.104 -62.30 0.0000 20 O3 Oh S 18 14 7 1.462 108.677 -178.29 -0.6650 21 H3O Ho E 20 18 14 0.963 111.335 83.35 0.4150 22 C2 Cg B 18 14 7 1.558 111.369 56.32 0.5440 23 H2 H1 E 22 18 14 1.091 108.714 61.92 0.0000 24 N2 Ng B 22 18 14 1.481 110.595 -177.69 -0.6860 25 H2N H E 24 22 18 1.005 118.080 75.06 0.2540 26 C2N C B 24 22 18 1.336 122.747 -106.72 0.5860 27 O2N O E 26 24 22 1.227 122.402 0.23 -0.5640 28 CME Cg 3 26 24 22 1.543 116.272 179.61 0.0560 29 H3M Hc E 28 26 24 1.092 110.645 35.56 0.0000 30 H2M Hc E 28 26 24 1.091 109.982 155.53 0.0000 31 H1M Hc E 28 26 24 1.091 109.419 -84.79 0.0000 LOOP C2 C1 DONE 0WA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621 5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000 6 C2 Cg 3 4 3 2 1.554 101.409 17.32 0.2750 7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000 8 C3 Cg 3 6 4 3 1.549 109.899 -30.46 0.2520 9 H3 H1 E 8 6 4 1.091 108.295 65.94 0.0000 10 C4 Cg 3 8 6 4 1.550 112.400 -53.90 0.3213 11 H4 H1 E 10 8 6 1.091 108.333 -69.37 0.0000 12 C5 Cg 3 10 8 6 1.547 112.664 51.61 0.2421 13 H5 H1 E 12 10 8 1.092 107.873 70.23 0.0000 14 C6 Cg 3 12 10 8 1.545 113.564 -171.33 0.2995 15 H62 H1 E 14 12 10 1.090 109.575 173.73 0.0000 16 H61 H1 E 14 12 10 1.090 109.924 -68.06 0.0000 17 O6 Oh S 14 12 10 1.443 112.033 52.74 -0.6618 18 H6O Ho E 17 14 12 0.961 109.813 -82.79 0.3959 19 O5 Os E 12 10 8 1.495 111.317 -46.63 -0.5415 20 O4 Oh S 10 8 6 1.458 109.485 172.59 -0.7305 21 H4O Ho E 20 10 8 0.964 111.017 -55.33 0.4424 22 O3 Oh S 8 6 4 1.455 110.348 -176.42 -0.6987 23 H3O Ho E 22 8 6 0.965 109.543 171.31 0.4159 24 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751 25 H2N H E 24 6 4 1.007 117.562 110.34 0.2142 26 C2N C B 24 6 4 1.336 123.787 -73.97 0.5909 27 CME Cg 3 26 24 6 1.539 115.681 -177.62 -0.0340 28 H3M Hc E 27 26 24 1.091 109.810 -60.19 0.0000 29 H2M Hc E 27 26 24 1.091 110.252 179.93 0.0000 30 H1M Hc E 27 26 24 1.091 109.868 60.00 0.0000 31 O2N O E 26 24 6 1.229 122.265 3.32 -0.5757 LOOP O5 C1 DONE 0WB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870 5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000 6 O5 Os S 4 3 2 1.464 129.676 168.95 -0.4980 7 C5 Cg 3 6 4 3 1.498 114.507 143.60 0.3210 8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000 9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470 10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000 11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000 12 O6 Oh S 9 7 6 1.442 110.379 57.48 -0.6630 13 H6O Ho E 12 9 7 0.962 108.929 -56.35 0.4130 14 C4 Cg 3 7 6 4 1.549 109.860 56.38 0.2770 15 H4 H1 E 14 7 6 1.092 109.334 70.38 0.0000 16 O4 Oh S 14 7 6 1.447 108.932 -170.99 -0.7430 17 H4O Ho E 16 14 7 0.968 107.478 170.69 0.4390 18 C3 Cg 3 14 7 6 1.551 111.754 -50.66 0.2170 19 H3 H1 E 18 14 7 1.092 108.749 -66.35 0.0000 20 O3 Oh S 18 14 7 1.458 109.433 176.28 -0.6580 21 H3O Ho E 20 18 14 0.972 110.221 -149.04 0.4130 22 C2 Cg B 18 14 7 1.550 112.012 52.70 0.2940 23 H2 H1 E 22 18 14 1.092 107.937 -171.40 0.0000 24 N2 Ng B 22 18 14 1.485 111.811 69.61 -0.5580 25 H2N H E 24 22 18 1.007 117.378 -91.94 0.2650 26 C2N C B 24 22 18 1.337 123.528 90.12 0.5850 27 O2N O E 26 24 22 1.229 121.350 -4.57 -0.6000 28 CME Cg 3 26 24 22 1.544 116.722 177.13 0.0560 29 H3M Hc E 28 26 24 1.092 111.211 -15.23 0.0000 30 H2M Hc E 28 26 24 1.091 109.840 -135.47 0.0000 31 H1M Hc E 28 26 24 1.090 109.199 104.92 0.0000 LOOP C2 C1 DONE 0XA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820 5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000 6 C2 Cg 3 4 3 2 1.552 98.681 14.07 0.1970 7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000 8 C3 Cg 3 6 4 3 1.543 111.214 -33.26 0.3590 9 H3 H1 E 8 6 4 1.092 109.408 69.19 0.0000 10 C4 Cg 3 8 6 4 1.547 112.192 -52.80 0.2470 11 H4 H1 E 10 8 6 1.091 109.623 -66.19 0.0000 12 C5 Cg 3 10 8 6 1.539 110.634 53.97 0.3350 13 H5E H1 E 12 10 8 1.090 109.984 -172.58 0.0000 14 H5A H1 E 12 10 8 1.091 110.140 68.68 0.0000 15 O5 Os E 12 10 8 1.489 111.025 -51.97 -0.5880 16 O4 Oh S 10 8 6 1.453 110.240 174.10 -0.7200 17 H4O Ho E 16 10 8 0.967 107.931 54.72 0.4200 18 O3 Oh S 8 6 4 1.451 108.116 -172.55 -0.7120 19 H3O Ho E 18 8 6 0.966 107.240 -43.40 0.4210 20 O2 Oh S 6 4 3 1.464 111.006 90.26 -0.6560 21 H2O Ho E 20 6 4 0.967 109.241 -39.05 0.4090 LOOP O5 C1 DONE 0XB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480 5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000 6 O5 Os S 4 3 2 1.466 132.232 166.71 -0.4470 7 C5 Cg 3 6 4 3 1.482 115.196 148.40 0.3030 8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000 9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000 10 C4 Cg 3 7 6 4 1.541 109.795 57.60 0.2860 11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000 12 O4 Oh S 10 7 6 1.447 108.470 -174.60 -0.7230 13 H4O Ho E 12 10 7 0.966 107.383 173.28 0.4300 14 C3 Cg 3 10 7 6 1.546 111.571 -54.26 0.2280 15 H3 H1 E 14 10 7 1.092 109.010 -67.31 0.0000 16 O3 Oh S 14 10 7 1.458 108.945 174.50 -0.6820 17 H3O Ho E 16 14 10 0.967 108.169 -177.96 0.4270 18 C2 Cg B 14 10 7 1.547 111.370 53.00 0.4250 19 H2 H1 E 18 14 10 1.092 109.571 69.62 0.0000 20 O2 Oh S 18 14 10 1.452 108.733 -171.44 -0.6990 21 H2O Ho E 20 18 14 0.965 106.939 170.97 0.3980 LOOP C2 C1 DONE 0XD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280 5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000 6 C2 Cg 3 4 3 2 1.636 88.449 18.82 0.2480 7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000 8 C3 Cg 3 6 4 3 1.634 106.860 -57.15 0.3020 9 H3 H1 E 8 6 4 1.091 108.695 100.33 0.0000 10 C4 Cg 3 8 6 4 1.626 107.473 -15.89 0.2370 11 H4 H1 E 10 8 6 1.090 108.401 126.25 0.0000 12 C5 Cg 3 10 8 6 1.543 116.861 -110.85 0.2800 13 H52 H1 E 12 10 8 1.090 109.111 -166.53 0.0000 14 H51 H1 E 12 10 8 1.090 111.083 -47.72 0.0000 15 O5 Oh S 12 10 8 1.441 110.629 74.51 -0.6780 16 H5O Ho E 15 12 10 0.962 107.911 53.44 0.4220 17 O4 Os E 10 8 6 1.593 104.822 10.20 -0.5070 18 O3 Oh S 8 6 4 1.447 111.050 -140.89 -0.7140 19 H3O Ho E 18 8 6 0.963 109.068 -54.84 0.4260 20 O2 Oh S 6 4 3 1.455 113.910 66.16 -0.6570 21 H2O Ho E 20 6 4 0.967 107.830 -15.92 0.4070 LOOP O4 C1 DONE 0XU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880 5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000 6 O4 Os S 4 3 2 1.557 141.976 -176.87 -0.4270 7 C4 Cg 3 6 4 3 1.585 113.491 160.80 0.1420 8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000 9 C5 Cg 3 7 6 4 1.541 109.761 121.74 0.2850 10 H52 H1 E 9 7 6 1.091 110.415 -59.53 0.0000 11 H51 H1 E 9 7 6 1.090 109.960 -179.16 0.0000 12 O5 Oh S 9 7 6 1.439 110.113 61.06 -0.6350 13 H5O Ho E 12 9 7 0.959 109.575 48.10 0.3960 14 C3 Cg 3 7 6 4 1.626 104.984 -3.27 0.2240 15 H3 H1 E 14 7 6 1.091 107.946 -110.07 0.0000 16 O3 Oh S 14 7 6 1.450 112.399 130.64 -0.6620 17 H3O Ho E 16 14 7 0.964 109.399 168.94 0.4120 18 C2 Cg B 14 7 6 1.636 107.660 8.09 0.3820 19 H2 H1 E 18 14 7 1.091 109.319 108.55 0.0000 20 O2 Oh S 18 14 7 1.454 110.186 -132.48 -0.7310 21 H2O Ho E 20 18 14 0.963 109.130 -172.15 0.4200 LOOP C2 C1 DONE 0YA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680 5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000 6 C2 Cg 3 4 3 2 1.558 103.961 13.89 0.2450 7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000 8 C3 Cg 3 6 4 3 1.547 112.034 -31.73 0.1650 9 H3 H1 E 8 6 4 1.092 108.717 70.25 0.0000 10 C4 Cg 3 8 6 4 1.546 112.211 -50.71 0.3220 11 H4 H1 E 10 8 6 1.091 108.977 -70.26 0.0000 12 C5 Cg 3 10 8 6 1.544 112.523 51.74 0.2460 13 H5 H1 E 12 10 8 1.092 108.088 68.11 0.0000 14 C6 Cg 3 12 10 8 1.544 112.817 -173.43 0.3280 15 H62 H1 E 14 12 10 1.090 110.073 -62.63 0.0000 16 H61 H1 E 14 12 10 1.090 109.603 179.01 0.0000 17 O6 Oh S 14 12 10 1.444 111.701 58.39 -0.6880 18 H6O Ho E 17 14 12 0.960 109.460 179.56 0.4210 19 O5 Os E 12 10 8 1.500 111.305 -49.14 -0.5680 20 O4 Oh S 10 8 6 1.448 107.905 171.55 -0.7330 21 H4O Ho E 20 10 8 0.967 106.060 48.68 0.4490 22 O3 Oh S 8 6 4 1.457 109.988 -171.07 -0.6300 23 H3O Ho E 22 8 6 0.977 109.893 -12.80 0.4130 24 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520 25 H2N H E 24 6 4 1.009 115.982 -30.97 0.2360 26 C2N C B 24 6 4 1.338 124.714 152.48 0.5880 27 CME Cg 3 26 24 6 1.544 117.110 -175.73 0.0630 28 H3M Hc E 27 26 24 1.092 111.363 2.06 0.0000 29 H2M Hc E 27 26 24 1.091 109.387 122.31 0.0000 30 H1M Hc E 27 26 24 1.090 109.379 -118.32 0.0000 31 O2N O E 26 24 6 1.228 121.379 4.88 -0.5790 LOOP O5 C1 DONE 0YB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870 5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000 6 O5 Os S 4 3 2 1.468 130.511 167.53 -0.4330 7 C5 Cg 3 6 4 3 1.493 115.188 144.42 0.2080 8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000 9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890 10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000 11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000 12 O6 Oh S 9 7 6 1.439 109.712 58.17 -0.6890 13 H6O Ho E 12 9 7 0.961 108.379 -54.80 0.4240 14 C4 Cg 3 7 6 4 1.542 108.679 57.57 0.3020 15 H4 H1 E 14 7 6 1.092 109.552 66.23 0.0000 16 O4 Oh S 14 7 6 1.444 108.611 -175.00 -0.7160 17 H4O Ho E 16 14 7 0.967 106.789 174.20 0.4360 18 C3 Cg 3 14 7 6 1.547 111.743 -55.34 0.1800 19 H3 H1 E 18 14 7 1.092 108.855 -63.61 0.0000 20 O3 Oh S 18 14 7 1.462 108.350 179.31 -0.6810 21 H3O Ho E 20 18 14 0.964 110.728 170.98 0.4230 22 C2 Cg B 18 14 7 1.555 110.847 55.82 0.4800 23 H2 H1 E 22 18 14 1.092 108.016 63.51 0.0000 24 N2 Ng B 22 18 14 1.484 110.897 -176.40 -0.7220 25 H2N H E 24 22 18 1.006 117.592 78.54 0.3000 26 C2N C B 24 22 18 1.336 123.143 -111.93 0.6480 27 O2N O E 26 24 22 1.226 122.116 6.61 -0.5760 28 CME Cg 3 26 24 22 1.542 116.434 -175.43 0.0340 29 H3M Hc E 28 26 24 1.092 110.630 37.74 0.0000 30 H2M Hc E 28 26 24 1.091 110.076 157.79 0.0000 31 H1M Hc E 28 26 24 1.091 109.335 -82.58 0.0000 LOOP C2 C1 DONE 0ZA INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980 5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000 6 C2 Cg 3 4 3 2 1.551 109.472 7.93 0.3260 7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000 8 C3 Cg 3 6 4 3 1.547 112.398 -166.09 0.3000 9 H3 H1 E 8 6 4 1.092 108.680 71.61 0.0000 10 C4 Cg 3 8 6 4 1.555 112.948 -49.44 0.1930 11 H4 H1 E 10 8 6 1.091 109.268 -72.54 0.0000 12 C5 Cg 3 10 8 6 1.550 113.190 48.46 0.1870 13 H5 H1 E 12 10 8 1.092 106.693 67.16 0.0000 14 C6 C B 12 10 8 1.597 111.674 -179.86 0.7980 15 O6A O2 E 14 12 10 1.259 117.589 -37.92 -0.7870 16 O6B O2 E 14 12 10 1.252 118.424 145.06 -0.7870 17 O5 Os E 12 10 8 1.515 110.155 -47.11 -0.5440 18 O4 Oh S 10 8 6 1.452 109.657 168.36 -0.6820 19 H4O Ho E 18 10 8 0.983 105.869 -171.10 0.4220 20 O3 Oh S 8 6 4 1.458 107.208 -171.22 -0.7430 21 H3O Ho E 20 8 6 0.962 107.044 -49.33 0.4390 22 O2 Oh S 6 4 3 1.467 110.139 -42.45 -0.7320 23 H2O Ho E 22 6 4 0.965 107.076 -40.93 0.4060 LOOP O5 C1 DONE 0ZB INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510 5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000 6 O5 Os S 4 3 2 1.460 133.490 168.28 -0.4130 7 C5 Cg 3 6 4 3 1.502 116.304 144.38 0.0750 8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000 9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930 10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180 11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180 12 C4 Cg 3 7 6 4 1.542 108.303 57.48 0.2670 13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000 14 O4 Oh S 12 7 6 1.449 108.907 -172.84 -0.7330 15 H4O Ho E 14 12 7 0.987 105.292 -42.75 0.4290 16 C3 Cg 3 12 7 6 1.552 113.280 -51.87 0.2660 17 H3 H1 E 16 12 7 1.092 108.760 -69.98 0.0000 18 O3 Oh S 16 12 7 1.459 107.412 172.72 -0.7010 19 H3O Ho E 18 16 12 0.966 105.666 48.32 0.4030 20 C2 Cg B 16 12 7 1.551 112.291 50.40 0.4110 21 H2 H1 E 20 16 12 1.092 109.200 71.99 0.0000 22 O2 Oh S 20 16 12 1.458 111.055 -168.01 -0.7400 23 H2O Ho E 22 20 16 0.962 106.072 172.93 0.4220 LOOP C2 C1 DONE 0aA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480 5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000 6 O5 Os S 4 3 2 1.484 133.629 99.38 -0.5640 7 C5 Cg 3 6 4 3 1.479 117.874 -165.14 0.3790 8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000 9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000 10 C4 Cg 3 7 6 4 1.532 108.551 -56.56 0.2450 11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000 12 O4 Oh S 10 7 6 1.437 109.023 178.50 -0.7480 13 H4O Ho E 12 10 7 0.960 109.412 -63.47 0.4340 14 C3 Cg 3 10 7 6 1.543 112.944 55.64 0.3350 15 H3 H1 E 14 10 7 1.091 109.892 -174.01 0.0000 16 O3 Oh S 14 10 7 1.441 110.011 67.03 -0.7720 17 H3O Ho E 16 14 10 0.960 109.473 179.30 0.4610 18 C2 Cg B 14 10 7 1.543 111.532 -51.47 0.2680 19 H2 H1 E 18 14 10 1.092 109.910 169.41 0.0000 20 O2 Oh S 18 14 10 1.437 107.286 -74.11 -0.7350 21 H2O Ho E 20 18 14 0.960 109.480 -58.08 0.4430 LOOP C2 C1 DONE 0aB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790 5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000 6 C2 Cg 3 4 3 2 1.563 137.254 -156.94 0.3000 7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000 8 C3 Cg 3 6 4 3 1.543 109.402 134.96 0.2970 9 H3 H1 E 8 6 4 1.091 109.527 174.23 0.0000 10 C4 Cg 3 8 6 4 1.551 111.469 53.21 0.2240 11 H4 H1 E 10 8 6 1.091 108.923 64.26 0.0000 12 C5 Cg 3 10 8 6 1.546 111.087 -54.81 0.3560 13 H5A H1 E 12 10 8 1.091 110.570 -66.53 0.0000 14 H5E H1 E 12 10 8 1.090 109.958 174.33 0.0000 15 O5 Os E 12 10 8 1.485 110.184 54.27 -0.5290 16 O4 Oh S 10 8 6 1.458 110.429 -177.71 -0.7300 17 H4O Ho E 16 10 8 0.964 110.010 -85.04 0.4400 18 O3 Oh S 8 6 4 1.454 108.942 -67.85 -0.6680 19 H3O Ho E 18 8 6 0.966 107.607 169.51 0.4070 20 O2 Oh S 6 4 3 1.460 111.691 -105.49 -0.7000 21 H2O Ho E 20 6 4 0.965 107.206 46.97 0.4180 LOOP O5 C1 DONE 0aD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680 5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000 6 O4 Os S 4 3 2 1.561 59.259 -79.14 -0.4530 7 C4 Cg 3 6 4 3 1.585 113.130 -121.92 0.1470 8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000 9 C5 Cg 3 7 6 4 1.531 111.011 -129.51 0.3380 10 H51 H1 E 9 7 6 1.090 110.161 -65.64 0.0000 11 H52 H1 E 9 7 6 1.090 110.286 174.71 0.0000 12 O5 Oh S 9 7 6 1.438 109.271 54.27 -0.6960 13 H5O Ho E 12 9 7 0.963 107.879 -70.16 0.3990 14 C3 Cg 3 7 6 4 1.617 105.385 -6.71 0.3700 15 H3 H1 E 14 7 6 1.091 110.266 -112.89 0.0000 16 O3 Oh S 14 7 6 1.445 109.680 127.75 -0.7030 17 H3O Ho E 16 14 7 0.962 109.189 179.20 0.4040 18 C2 Cg B 14 7 6 1.638 107.830 6.88 0.2780 19 H2 H1 E 18 14 7 1.092 109.588 114.25 0.0000 20 O2 Oh S 18 14 7 1.459 110.296 -126.81 -0.6880 21 H2O Ho E 20 18 14 0.962 111.196 67.05 0.4300 LOOP C2 C1 DONE 0aU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770 5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000 6 C2 Cg 3 4 3 2 1.636 130.777 -176.24 0.3280 7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000 8 C3 Cg 3 6 4 3 1.636 107.243 -120.25 0.2150 9 H3 H1 E 8 6 4 1.091 109.548 106.72 0.0000 10 C4 Cg 3 8 6 4 1.623 107.636 -12.21 0.3270 11 H4 H1 E 10 8 6 1.091 110.021 -108.06 0.0000 12 C5 Cg 3 10 8 6 1.536 113.561 128.49 0.2270 13 H51 H1 E 12 10 8 1.090 110.273 60.89 0.0000 14 H52 H1 E 12 10 8 1.090 110.003 -58.63 0.0000 15 O5 Oh S 12 10 8 1.440 109.976 -178.69 -0.6500 16 H5O Ho E 15 12 10 0.963 109.100 48.75 0.3970 17 O4 Os E 10 8 6 1.592 104.988 8.35 -0.5320 18 O3 Oh S 8 6 4 1.449 110.684 -133.44 -0.7280 19 H3O Ho E 18 8 6 0.965 109.557 -66.15 0.4370 20 O2 Oh S 6 4 3 1.456 114.449 2.64 -0.7210 21 H2O Ho E 20 6 4 0.967 108.079 -13.83 0.4170 LOOP O4 C1 DONE 0bA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300 5 O6 Os S 4 3 2 1.483 117.931 41.66 -0.5070 6 C6 Cg 3 5 4 3 1.491 117.309 -140.69 0.3410 7 H6A H1 E 6 5 4 1.091 108.839 69.58 0.0000 8 H6E H1 E 6 5 4 1.090 108.907 -173.08 0.0000 9 C5 Cg 3 6 5 4 1.544 111.103 -51.77 0.2240 10 H5 H1 E 9 6 5 1.091 108.357 -70.02 0.0000 11 O5 Oh S 9 6 5 1.455 108.467 172.51 -0.6900 12 H5O Ho E 11 9 6 0.963 109.307 159.42 0.4290 13 C4 Cg 3 9 6 5 1.550 111.673 50.56 0.3350 14 H4 H1 E 13 9 6 1.092 110.207 65.56 0.0000 15 O4 Oh S 13 9 6 1.461 109.228 -175.33 -0.7240 16 H4O Ho E 15 13 9 0.964 108.580 -89.49 0.4210 17 C3 Cg B 13 9 6 1.548 109.394 -55.39 0.3720 18 H3 H1 E 17 13 9 1.092 107.364 -59.65 0.0000 19 O3 Oh S 17 13 9 1.456 111.878 -176.69 -0.7160 20 H3O Ho E 19 17 13 0.964 107.033 43.80 0.4300 21 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280 22 H11 H1 E 21 4 3 1.090 109.813 -63.29 0.0000 23 H12 H1 E 21 4 3 1.091 110.098 55.13 0.0000 24 O1 Oh S 21 4 3 1.443 112.003 175.62 -0.6780 25 H1O Ho E 24 21 4 0.961 107.457 -73.22 0.3990 LOOP C3 C2 DONE 0bB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270 5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810 6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000 7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000 8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260 9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950 10 C3 Cg 3 4 3 2 1.564 137.751 -159.39 0.4640 11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000 12 C4 Cg 3 10 4 3 1.550 112.585 140.12 0.1080 13 H4 H1 E 12 10 4 1.092 109.044 -68.01 0.0000 14 C5 Cg 3 12 10 4 1.545 110.670 52.19 0.3400 15 H5 H1 E 14 12 10 1.091 109.543 69.26 0.0000 16 C6 Cg 3 14 12 10 1.543 112.662 -52.18 0.3110 17 H6A H1 E 16 14 12 1.091 110.545 -68.04 0.0000 18 H6E H1 E 16 14 12 1.090 110.160 172.58 0.0000 19 O6 Os E 16 14 12 1.485 109.751 52.43 -0.4770 20 O5 Oh S 14 12 10 1.444 107.942 -172.32 -0.7200 21 H5O Ho E 20 14 12 0.966 106.322 -48.08 0.4290 22 O4 Oh S 12 10 4 1.460 110.433 173.08 -0.6750 23 H4O Ho E 22 12 10 0.968 108.634 54.62 0.4350 24 O3 Oh S 10 4 3 1.453 110.350 18.53 -0.7300 25 H3O Ho E 24 10 4 0.965 106.403 -56.73 0.4320 LOOP O6 C2 DONE 0bC INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.219 114.902 -133.41 0.3130 5 H1 H2 E 4 3 2 1.091 63.376 -66.80 0.0000 6 O5 Os S 4 3 2 1.462 111.147 34.64 -0.4890 7 C5 Cg 3 6 4 3 1.484 116.049 -131.39 0.1410 8 H5 H1 E 7 6 4 1.092 107.980 64.45 0.0000 9 C6 Cg 3 7 6 4 1.529 106.426 -179.26 0.0540 10 H61 H1 E 9 7 6 1.090 110.595 -174.86 0.0000 11 H62 H1 E 9 7 6 1.091 110.671 64.80 0.0000 12 H63 H1 E 9 7 6 1.090 110.350 -55.32 0.0000 13 C4 Cg 3 7 6 4 1.553 110.731 -54.91 0.5790 14 H4 H1 E 13 7 6 1.092 108.444 -68.36 0.0000 15 N4 Ng B 13 7 6 1.482 109.943 171.30 -0.8840 16 H4N H E 15 13 7 1.005 118.374 -75.81 0.3270 17 C4N C B 15 13 7 1.334 122.717 99.60 0.7200 18 O4N O E 17 15 13 1.221 121.166 0.20 -0.6220 19 C4M Cg 3 17 15 13 1.542 116.539 -179.84 0.0380 20 H41 Hc E 19 17 15 1.091 110.231 176.59 0.0000 21 H42 Hc E 19 17 15 1.091 109.889 56.66 0.0000 22 H43 Hc E 19 17 15 1.091 109.727 -63.50 0.0000 23 C3 Cg 3 13 7 6 1.557 111.334 49.92 0.1960 24 H3 H1 E 23 13 7 1.092 107.756 66.07 0.0000 25 O3 Oh S 23 13 7 1.467 111.072 -176.91 -0.7170 26 H3O Ho E 25 23 13 0.964 111.363 -40.58 0.4520 27 C2 Cg B 23 13 7 1.553 111.958 -52.25 0.3540 28 H2 H1 E 27 23 13 1.092 108.181 -62.79 0.0000 29 N2 Ng B 27 23 13 1.482 111.059 177.26 -0.6460 30 H2N H E 29 27 23 1.005 117.749 -74.11 0.2870 31 C2N C B 29 27 23 1.339 123.653 106.02 0.5290 32 O2N O E 31 29 27 1.228 122.945 2.35 -0.5160 33 C2M Cg 3 31 29 27 1.543 115.754 -177.65 0.0780 34 H21 Hc E 33 31 29 1.091 110.260 171.03 0.0000 35 H22 Hc E 33 31 29 1.091 110.049 51.17 0.0000 36 H23 Hc E 33 31 29 1.091 109.662 -69.03 0.0000 LOOP C2 C1 DONE 0bD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410 5 O5 Os S 4 3 2 1.565 96.957 71.60 -0.4520 6 C5 Cg 3 5 4 3 1.587 113.494 153.37 0.2710 7 H5 H1 E 6 5 4 1.091 109.010 115.27 0.0000 8 C6 Cg 3 6 5 4 1.543 109.502 -125.08 0.2810 9 H61 H1 E 8 6 5 1.090 110.249 169.67 0.0000 10 H62 H1 E 8 6 5 1.091 109.980 50.42 0.0000 11 O6 Oh S 8 6 5 1.443 110.886 -70.57 -0.6790 12 H6O Ho E 11 8 6 0.959 110.164 -69.40 0.4110 13 C4 Cg 3 6 5 4 1.626 104.732 -0.82 0.2250 14 H4 H1 E 13 6 5 1.091 107.421 106.22 0.0000 15 O4 Oh S 13 6 5 1.457 113.168 -134.63 -0.7100 16 H4O Ho E 15 13 6 0.965 109.577 -164.20 0.4350 17 C3 Cg B 13 6 5 1.636 107.413 -10.45 0.4400 18 H3 H1 E 17 13 6 1.090 107.628 -98.64 0.0000 19 O3 Oh S 17 13 6 1.453 110.696 144.44 -0.7320 20 H3O Ho E 19 17 13 0.959 109.052 117.13 0.4040 21 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130 22 H11 H1 E 21 4 3 1.091 109.856 0.87 0.0000 23 H12 H1 E 21 4 3 1.090 110.325 119.99 0.0000 24 O1 Oh S 21 4 3 1.443 110.871 -119.49 -0.6680 25 H1O Ho E 24 21 4 0.961 109.037 163.85 0.4140 LOOP C3 C2 DONE 0bU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470 5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990 6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000 7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000 8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270 9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820 10 C3 Cg 3 4 3 2 1.635 135.193 -142.32 0.3820 11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000 12 C4 Cg 3 10 4 3 1.637 107.249 157.15 0.2830 13 H4 H1 E 12 10 4 1.091 108.865 -102.82 0.0000 14 C5 Cg 3 12 10 4 1.624 107.577 13.45 0.2100 15 H5 H1 E 14 12 10 1.091 108.969 -127.62 0.0000 16 C6 Cg 3 14 12 10 1.541 114.994 109.54 0.3320 17 H61 H1 E 16 14 12 1.090 109.861 59.82 0.0000 18 H62 H1 E 16 14 12 1.090 110.302 -59.54 0.0000 19 O6 Oh S 16 14 12 1.442 110.695 179.56 -0.7010 20 H6O Ho E 19 16 14 0.959 110.169 -52.94 0.4090 21 O5 Os E 14 12 10 1.582 104.801 -11.31 -0.3850 22 O4 Oh S 12 10 4 1.453 111.864 137.73 -0.7550 23 H4O Ho E 22 12 10 0.964 109.402 67.17 0.4340 24 O3 Oh S 10 4 3 1.455 113.678 34.22 -0.7420 25 H3O Ho E 24 10 4 0.963 108.479 -78.45 0.4260 LOOP O5 C2 DONE 0cA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450 5 O6 Os S 4 3 2 1.483 117.808 35.58 -0.6200 6 C6 Cg 3 5 4 3 1.483 118.572 -140.03 0.4370 7 H6A H1 E 6 5 4 1.091 109.541 67.42 0.0000 8 H6E H1 E 6 5 4 1.090 108.752 -174.83 0.0000 9 C5 Cg 3 6 5 4 1.538 109.646 -54.60 0.1950 10 H5 H1 E 9 6 5 1.091 108.701 -59.59 0.0000 11 O5 Oh S 9 6 5 1.462 111.474 -178.00 -0.7090 12 H5O Ho E 11 9 6 0.964 110.741 83.12 0.4150 13 C4 Cg 3 9 6 5 1.544 109.577 58.96 0.3670 14 H4 H1 E 13 9 6 1.091 108.427 -177.56 0.0000 15 O4 Oh S 13 9 6 1.450 110.035 65.74 -0.7200 16 H4O Ho E 15 13 9 0.965 107.347 50.59 0.3940 17 C3 Cg B 13 9 6 1.551 112.343 -57.29 0.2470 18 H3 H1 E 17 13 9 1.092 108.943 168.11 0.0000 19 O3 Oh S 17 13 9 1.466 107.388 -76.78 -0.6550 20 H3O Ho E 19 17 13 0.965 109.737 -75.75 0.4060 21 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860 22 H11 H1 E 21 4 3 1.091 110.132 -50.25 0.0000 23 H12 H1 E 21 4 3 1.091 109.446 67.92 0.0000 24 O1 Oh S 21 4 3 1.446 112.801 -171.35 -0.6960 25 H1O Ho E 24 21 4 0.968 106.626 -39.29 0.4020 LOOP C3 C2 DONE 0cB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440 5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970 6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000 7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000 8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690 9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010 10 C3 Cg 3 4 3 2 1.569 136.938 -155.77 0.3170 11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000 12 C4 Cg 3 10 4 3 1.551 113.143 142.19 0.3440 13 H4 H1 E 12 10 4 1.091 109.341 168.38 0.0000 14 C5 Cg 3 12 10 4 1.549 111.995 47.93 0.1950 15 H5 H1 E 14 12 10 1.091 108.324 67.05 0.0000 16 C6 Cg 3 14 12 10 1.539 112.024 -51.70 0.3650 17 H6A H1 E 16 14 12 1.091 110.698 -66.37 0.0000 18 H6E H1 E 16 14 12 1.090 110.083 174.22 0.0000 19 O6 Os E 16 14 12 1.482 109.460 54.46 -0.4600 20 O5 Oh S 14 12 10 1.457 110.756 -175.28 -0.6840 21 H5O Ho E 20 14 12 0.965 109.084 44.29 0.4150 22 O4 Oh S 12 10 4 1.459 109.536 -74.38 -0.6980 23 H4O Ho E 22 12 10 0.964 108.929 -91.80 0.4170 24 O3 Oh S 10 4 3 1.453 110.172 -98.32 -0.6970 25 H3O Ho E 24 10 4 0.968 105.774 30.26 0.4070 LOOP O6 C2 DONE 0cD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840 5 O5 Os S 4 3 2 1.564 97.899 67.10 -0.4980 6 C5 Cg 3 5 4 3 1.584 113.350 147.62 0.3090 7 H5 H1 E 6 5 4 1.092 109.375 118.93 0.0000 8 C6 Cg 3 6 5 4 1.538 110.489 -119.98 0.2650 9 H61 H1 E 8 6 5 1.090 109.956 165.98 0.0000 10 H62 H1 E 8 6 5 1.091 109.952 47.12 0.0000 11 O6 Oh S 8 6 5 1.442 111.246 -74.00 -0.6640 12 H6O Ho E 11 8 6 0.960 110.855 -67.48 0.4120 13 C4 Cg 3 6 5 4 1.621 104.926 0.33 0.3320 14 H4 H1 E 13 6 5 1.091 111.196 -131.00 0.0000 15 O4 Oh S 13 6 5 1.453 109.530 109.63 -0.7840 16 H4O Ho E 15 13 6 0.965 110.375 -68.04 0.4440 17 C3 Cg B 13 6 5 1.638 107.987 -8.85 0.2820 18 H3 H1 E 17 13 6 1.091 111.251 134.95 0.0000 19 O3 Oh S 17 13 6 1.460 108.216 -106.61 -0.7160 20 H3O Ho E 19 17 13 0.965 109.355 -77.40 0.4320 21 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700 22 H11 H1 E 21 4 3 1.091 110.210 18.90 0.0000 23 H12 H1 E 21 4 3 1.091 109.651 137.75 0.0000 24 O1 Oh S 21 4 3 1.441 111.328 -102.08 -0.6880 25 H1O Ho E 24 21 4 0.970 106.366 -49.38 0.4140 LOOP C3 C2 DONE 0cU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390 5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870 6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000 7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000 8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240 9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010 10 C3 Cg 3 4 3 2 1.636 113.047 -107.26 0.3330 11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000 12 C4 Cg 3 10 4 3 1.624 107.103 164.76 0.2930 13 H4 H1 E 12 10 4 1.092 112.868 136.79 0.0000 14 C5 Cg 3 12 10 4 1.622 107.882 12.29 0.3100 15 H5 H1 E 14 12 10 1.092 110.981 -127.12 0.0000 16 C6 Cg 3 14 12 10 1.529 112.711 109.36 0.2720 17 H61 H1 E 16 14 12 1.090 110.315 59.90 0.0000 18 H62 H1 E 16 14 12 1.091 110.618 -60.32 0.0000 19 O6 Oh S 16 14 12 1.433 108.667 179.51 -0.6520 20 H6O Ho E 19 16 14 0.960 109.494 -59.32 0.3970 21 O5 Os E 14 12 10 1.577 105.503 -8.77 -0.4490 22 O4 Oh S 12 10 4 1.434 107.032 -103.41 -0.7630 23 H4O Ho E 22 12 10 0.960 109.480 178.44 0.4310 24 O3 Oh S 10 4 3 1.439 111.311 -80.89 -0.6910 25 H3O Ho E 24 10 4 0.960 109.418 61.51 0.4100 LOOP O5 C2 DONE 0dA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980 5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000 6 O5 Os S 4 3 2 1.470 69.754 -59.92 -0.4870 7 C5 Cg 3 6 4 3 1.490 117.560 -72.03 0.2750 8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000 9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000 10 C4 Cg 3 7 6 4 1.543 111.684 -49.69 0.3510 11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000 12 O4 Oh S 10 7 6 1.447 108.472 171.92 -0.7110 13 H4O Ho E 12 10 7 0.966 106.152 -168.99 0.4220 14 C3 Cg 3 10 7 6 1.545 110.247 52.70 0.1840 15 H3 H1 E 14 10 7 1.091 108.583 60.91 0.0000 16 O3 Oh S 14 10 7 1.459 110.859 178.21 -0.6550 17 H3O Ho E 16 14 10 0.962 110.146 169.76 0.4170 18 C2 Cg B 14 10 7 1.549 111.008 -57.45 0.2460 19 H2 H1 E 18 14 10 1.091 109.256 175.96 0.0000 20 O2 Oh S 18 14 10 1.458 110.247 -65.62 -0.6780 21 H2O Ho E 20 18 14 0.962 110.757 -168.88 0.4320 LOOP C2 C1 DONE 0dB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480 5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000 6 C2 Cg 3 4 3 2 1.543 134.009 -175.87 0.2260 7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000 8 C3 Cg 3 6 4 3 1.543 109.102 -97.36 0.2010 9 H3 H1 E 8 6 4 1.092 108.078 -65.99 0.0000 10 C4 Cg 3 8 6 4 1.543 112.432 54.46 0.3350 11 H4 H1 E 10 8 6 1.091 110.326 70.31 0.0000 12 C5 Cg 3 10 8 6 1.539 111.797 -51.79 0.2750 13 H5A H1 E 12 10 8 1.092 110.541 -69.74 0.0000 14 H5E H1 E 12 10 8 1.090 110.214 170.80 0.0000 15 O5 Os E 12 10 8 1.480 110.071 50.34 -0.5190 16 O4 Oh S 10 8 6 1.436 108.765 -169.83 -0.7090 17 H4O Ho E 16 10 8 0.960 109.449 -59.99 0.4360 18 O3 Oh S 8 6 4 1.440 109.342 176.73 -0.7010 19 H3O Ho E 18 8 6 0.960 109.476 177.81 0.4320 20 O2 Oh S 6 4 3 1.446 108.761 21.88 -0.6450 21 H2O Ho E 20 6 4 0.960 109.425 59.50 0.4150 LOOP O5 C1 DONE 0dD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800 5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000 6 O4 Os S 4 3 2 1.562 69.561 -75.86 -0.4230 7 C4 Cg 3 6 4 3 1.588 112.912 -129.70 0.1890 8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000 9 C5 Cg 3 7 6 4 1.537 110.486 -136.68 0.3050 10 H51 H1 E 9 7 6 1.090 110.600 57.42 0.0000 11 H52 H1 E 9 7 6 1.090 110.349 177.71 0.0000 12 O5 Oh S 9 7 6 1.438 108.908 -62.47 -0.6970 13 H5O Ho E 12 9 7 0.962 108.141 56.44 0.4140 14 C3 Cg 3 7 6 4 1.624 104.960 -9.27 0.2980 15 H3 H1 E 14 7 6 1.090 111.418 136.70 0.0000 16 O3 Oh S 14 7 6 1.446 109.315 -102.58 -0.6780 17 H3O Ho E 16 14 7 0.969 106.468 140.77 0.4170 18 C2 Cg B 14 7 6 1.641 106.916 15.19 0.2290 19 H2 H1 E 18 14 7 1.091 107.286 100.85 0.0000 20 O2 Oh S 18 14 7 1.459 112.998 -140.55 -0.6510 21 H2O Ho E 20 18 14 0.964 109.258 -171.53 0.4110 LOOP C2 C1 DONE 0dU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360 5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000 6 C2 Cg 3 4 3 2 1.640 133.355 -123.59 0.2840 7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000 8 C3 Cg 3 6 4 3 1.642 106.290 136.04 0.3000 9 H3 H1 E 8 6 4 1.091 107.886 -101.19 0.0000 10 C4 Cg 3 8 6 4 1.620 107.806 14.92 0.1350 11 H4 H1 E 10 8 6 1.091 108.974 -127.93 0.0000 12 C5 Cg 3 10 8 6 1.542 114.725 109.52 0.3730 13 H51 H1 E 12 10 8 1.090 109.887 61.57 0.0000 14 H52 H1 E 12 10 8 1.091 110.456 -58.00 0.0000 15 O5 Oh S 12 10 8 1.439 110.322 -178.69 -0.7250 16 H5O Ho E 15 12 10 0.959 109.321 -36.11 0.4180 17 O4 Os E 10 8 6 1.588 104.668 -11.75 -0.5170 18 O3 Oh S 8 6 4 1.446 112.188 139.89 -0.6420 19 H3O Ho E 18 8 6 0.970 106.239 -9.38 0.4050 20 O2 Oh S 6 4 3 1.464 111.148 -105.13 -0.6800 21 H2O Ho E 20 6 4 0.969 107.470 22.02 0.4070 LOOP O4 C1 DONE 0eA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800 5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000 6 O5 Os S 4 3 2 1.482 124.869 106.18 -0.5870 7 C5 Cg 3 6 4 3 1.485 118.529 -175.71 0.3740 8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000 9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590 10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000 11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000 12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630 13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060 14 C4 Cg 3 7 6 4 1.541 107.816 -56.28 0.2610 15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000 16 O4 Oh S 14 7 6 1.439 109.886 177.28 -0.7210 17 H4O Ho E 16 14 7 0.960 109.412 -63.34 0.4150 18 C3 Cg 3 14 7 6 1.544 113.133 54.81 0.3280 19 H3 H1 E 18 14 7 1.091 109.843 -174.05 0.0000 20 O3 Oh S 18 14 7 1.442 110.012 67.08 -0.7140 21 H3O Ho E 20 18 14 0.960 109.461 179.72 0.4200 22 C2 Cg B 18 14 7 1.541 111.809 -51.50 0.1790 23 H2 H1 E 22 18 14 1.092 109.967 169.74 0.0000 24 O2 Oh S 22 18 14 1.437 107.327 -73.67 -0.6900 25 H2O Ho E 24 22 18 0.960 109.486 -178.36 0.4470 LOOP C2 C1 DONE 0eB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880 5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000 6 C2 Cg 3 4 3 2 1.560 137.450 -158.61 0.1840 7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000 8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150 9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000 10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200 11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000 12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570 13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000 14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780 15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000 16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000 17 O6 Oh S 14 12 10 1.439 109.977 -179.42 -0.6770 18 H6O Ho E 17 14 12 0.962 108.042 50.79 0.4080 19 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320 20 O4 Oh S 10 8 6 1.457 110.079 -178.65 -0.7240 21 H4O Ho E 20 10 8 0.964 110.039 -78.83 0.4200 22 O3 Oh S 8 6 4 1.454 108.210 -66.23 -0.6810 23 H3O Ho E 22 8 6 0.965 108.397 172.17 0.4030 24 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970 25 H2O Ho E 24 6 4 0.966 108.305 55.11 0.4320 LOOP O5 C1 DONE 0fA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990 5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000 6 O5 Os S 4 3 2 1.472 68.244 -66.42 -0.4940 7 C5 Cg 3 6 4 3 1.495 116.875 -70.92 0.1870 8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000 9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650 10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000 11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000 12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000 13 C4 Cg 3 7 6 4 1.554 111.650 -50.04 0.2630 14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000 15 O4 Oh S 13 7 6 1.452 110.366 -71.52 -0.7390 16 H4O Ho E 15 13 7 0.966 107.152 175.93 0.4470 17 C3 Cg 3 13 7 6 1.549 111.442 50.00 0.2280 18 H3 H1 E 17 13 7 1.091 108.535 63.68 0.0000 19 O3 Oh S 17 13 7 1.464 109.243 -179.40 -0.6930 20 H3O Ho E 19 17 13 0.965 108.720 -158.83 0.4260 21 C2 Cg B 17 13 7 1.550 109.944 -55.77 0.4560 22 H2 H1 E 21 17 13 1.091 109.004 -59.37 0.0000 23 O2 Oh S 21 17 13 1.463 111.178 -176.89 -0.8040 24 H2O Ho E 23 21 17 0.961 108.560 80.99 0.4530 LOOP C2 C1 DONE 0fB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180 5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000 6 C2 Cg 3 4 3 2 1.545 109.309 -114.38 0.3460 7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000 8 C3 Cg 3 6 4 3 1.542 111.933 150.88 0.2550 9 H3 H1 E 8 6 4 1.092 108.986 -69.25 0.0000 10 C4 Cg 3 8 6 4 1.542 112.898 50.54 0.2290 11 H4 H1 E 10 8 6 1.091 109.948 -175.33 0.0000 12 C5 Cg 3 10 8 6 1.543 109.625 -54.44 0.1060 13 H5 H1 E 12 10 8 1.092 108.258 -61.07 0.0000 14 C6 Cg 3 12 10 8 1.531 115.663 178.40 0.0920 15 H61 Hc E 14 12 10 1.091 111.160 177.14 0.0000 16 H62 Hc E 14 12 10 1.091 112.070 -62.71 0.0000 17 H63 Hc E 14 12 10 1.091 111.199 57.72 0.0000 18 O5 Os E 12 10 8 1.481 108.818 56.43 -0.4420 19 O4 Oh S 10 8 6 1.445 109.758 64.85 -0.6590 20 H4O Ho E 19 10 8 0.960 109.451 -179.30 0.4230 21 O3 Oh S 8 6 4 1.440 109.807 172.76 -0.6760 22 H3O Ho E 21 8 6 0.960 109.419 57.20 0.4270 23 O2 Oh S 6 4 3 1.439 107.580 32.59 -0.7650 24 H2O Ho E 23 6 4 0.960 109.418 -59.18 0.4400 LOOP O5 C1 DONE 0gA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090 5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000 6 O5 Os S 4 3 2 1.462 107.113 53.75 -0.5740 7 C5 Cg 3 6 4 3 1.500 117.884 -149.78 0.2830 8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000 9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760 10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000 11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000 12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820 13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180 14 C4 Cg 3 7 6 4 1.543 109.539 -53.99 0.2540 15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000 16 O4 Oh S 14 7 6 1.451 108.995 172.71 -0.7100 17 H4O Ho E 16 14 7 0.968 107.227 -172.23 0.4360 18 C3 Cg 3 14 7 6 1.547 111.254 52.54 0.2860 19 H3 H1 E 18 14 7 1.092 109.616 66.99 0.0000 20 O3 Oh S 18 14 7 1.452 108.604 -174.42 -0.6990 21 H3O Ho E 20 18 14 0.967 107.382 165.20 0.4270 22 C2 Cg B 18 14 7 1.543 112.114 -54.50 0.2460 23 H2 H1 E 22 18 14 1.091 108.373 -65.99 0.0000 24 O2 Oh S 22 18 14 1.465 110.086 176.46 -0.7130 25 H2O Ho E 24 22 18 0.967 109.170 -83.89 0.4370 LOOP C2 C1 DONE 0gB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840 5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000 6 C2 Cg 3 4 3 2 1.554 140.336 -158.45 0.3100 7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000 8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840 9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000 10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760 11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000 12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250 13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000 14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820 15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000 16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000 17 O6 Oh S 14 12 10 1.440 109.810 -178.39 -0.6880 18 H6O Ho E 17 14 12 0.962 108.265 53.10 0.4240 19 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710 20 O4 Oh S 10 8 6 1.448 109.104 -173.75 -0.7140 21 H4O Ho E 20 10 8 0.967 107.435 -50.50 0.4400 22 O3 Oh S 8 6 4 1.454 109.219 172.60 -0.7090 23 H3O Ho E 22 8 6 0.967 107.396 52.27 0.4320 24 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180 25 H2O Ho E 24 6 4 0.966 108.053 -54.43 0.4370 LOOP O5 C1 DONE 0gL INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140 5 O6 Oy S 4 3 2 1.431 71.403 -75.96 -0.3040 6 C6 Cg 3 5 4 3 1.441 115.727 170.61 0.0900 7 H6 H1 E 6 5 4 1.090 109.326 -46.03 0.0000 8 C7 Cg 3 6 5 4 1.539 109.452 -159.96 0.2610 9 H7 H1 E 8 6 5 1.091 108.030 169.67 0.0000 10 O7 Oh S 8 6 5 1.451 109.645 -73.49 -0.7120 11 H7O Ho E 10 8 6 0.975 109.093 -67.68 0.4080 12 C8 Cg 3 8 6 5 1.556 112.912 50.19 0.2810 13 H8 H1 E 12 8 6 1.091 109.679 -63.78 0.0000 14 O8 Oh S 12 8 6 1.465 109.875 55.42 -0.6830 15 H8O Ho E 14 12 8 0.989 111.171 -71.70 0.4230 16 C9 Cg 3 12 8 6 1.546 111.802 175.39 0.2520 17 H9R H1 E 16 12 8 1.091 110.154 -61.57 0.0000 18 H9S H1 E 16 12 8 1.090 110.707 58.01 0.0000 19 O9 Oh S 16 12 8 1.442 110.110 178.23 -0.6810 20 H9O Ho E 19 16 12 0.966 105.599 41.84 0.4170 21 C5 Cg 3 6 5 4 1.539 107.618 68.71 0.4560 22 H5 H1 E 21 6 5 1.092 108.644 61.52 0.0000 23 N5 Ng B 21 6 5 1.485 110.283 -178.97 -0.7570 24 H5N H E 23 21 6 1.009 118.343 81.24 0.3120 25 C5N C B 23 21 6 1.340 123.871 -93.43 0.6520 26 O5N O E 25 23 21 1.229 120.643 1.25 -0.6120 27 CME Cg 3 25 23 21 1.585 118.309 -179.32 0.2780 28 H1M H1 E 27 25 23 1.090 107.406 -109.99 0.0000 29 H2M H1 E 27 25 23 1.090 107.247 134.99 0.0000 30 OHG Oh S 27 25 23 1.456 118.581 12.68 -0.6530 31 HOG Ho E 30 27 25 0.961 109.618 127.32 0.3850 32 C4 Cg 3 21 6 5 1.567 108.763 -56.16 0.3750 33 H4 H1 E 32 21 6 1.091 108.346 -69.62 0.0000 34 O4 Oh S 32 21 6 1.459 111.264 172.12 -0.7990 35 H4O Ho E 34 32 21 0.960 109.015 67.58 0.4350 36 C3 Cg B 32 21 6 1.542 112.768 49.82 0.0400 37 H3A Hc E 36 32 21 1.094 108.648 73.23 0.0000 38 H3E Hc E 36 32 21 1.092 110.246 -171.81 0.0000 39 C1 C B 4 3 2 1.638 116.137 29.18 0.9960 40 O1B O2 E 39 4 3 1.253 118.911 142.22 -0.8260 41 O1A O2 E 39 4 3 1.261 115.851 -46.27 -0.8260 LOOP C3 C2 DONE 0hA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940 5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000 6 O5 Os S 4 3 2 1.473 66.142 -70.59 -0.4610 7 C5 Cg 3 6 4 3 1.486 117.952 -69.56 0.2790 8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000 9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230 10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000 11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000 12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000 13 C4 Cg 3 7 6 4 1.549 110.695 -51.67 0.1870 14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000 15 O4 Oh S 13 7 6 1.456 109.491 172.11 -0.6440 16 H4O Ho E 15 13 7 0.963 110.183 73.83 0.4050 17 C3 Cg 3 13 7 6 1.545 110.317 52.49 0.2360 18 H3 H1 E 17 13 7 1.092 108.830 64.14 0.0000 19 O3 Oh S 17 13 7 1.452 109.689 -178.23 -0.6490 20 H3O Ho E 19 17 13 0.965 106.808 -52.52 0.4250 21 C2 Cg B 17 13 7 1.545 112.380 -55.89 0.2480 22 H2 H1 E 21 17 13 1.091 109.364 174.25 0.0000 23 O2 Oh S 21 17 13 1.456 109.714 -67.50 -0.6700 24 H2O Ho E 23 21 17 0.965 106.818 -49.47 0.4210 LOOP C2 C1 DONE 0hB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810 5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000 6 C2 Cg 3 4 3 2 1.542 96.846 27.94 0.2430 7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000 8 C3 Cg 3 6 4 3 1.542 108.951 -149.17 0.1820 9 H3 H1 E 8 6 4 1.092 107.999 -65.80 0.0000 10 C4 Cg 3 8 6 4 1.543 112.684 54.72 0.3880 11 H4 H1 E 10 8 6 1.092 109.930 71.13 0.0000 12 C5 Cg 3 10 8 6 1.547 112.131 -51.25 0.1720 13 H5 H1 E 12 10 8 1.092 109.230 -69.17 0.0000 14 C6M Cg 3 12 10 8 1.530 114.214 169.13 0.0390 15 H3M Hc E 14 12 10 1.091 111.441 61.33 0.0000 16 H2M Hc E 14 12 10 1.091 111.709 -58.98 0.0000 17 H1M Hc E 14 12 10 1.091 111.297 -179.18 0.0000 18 O5 Os E 12 10 8 1.483 109.717 48.94 -0.4270 19 O4 Oh S 10 8 6 1.438 108.082 -169.72 -0.7280 20 H4O Ho E 19 10 8 0.960 109.440 -179.68 0.4320 21 O3 Oh S 8 6 4 1.440 109.222 177.05 -0.6650 22 H3O Ho E 21 8 6 0.960 109.425 178.23 0.4180 23 O2 Oh S 6 4 3 1.446 108.900 -29.97 -0.6730 24 H2O Ho E 23 6 4 0.960 109.408 -178.72 0.4320 LOOP O5 C1 DONE 0jA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140 5 O6 Os S 4 3 2 1.482 115.122 42.33 -0.5040 6 C6 Cg 3 5 4 3 1.489 118.583 -143.57 0.3680 7 H6A H1 E 6 5 4 1.091 108.585 71.14 0.0000 8 H6E H1 E 6 5 4 1.090 108.936 -171.67 0.0000 9 C5 Cg 3 6 5 4 1.541 111.422 -50.10 0.2730 10 H5 H1 E 9 6 5 1.091 109.320 -69.49 0.0000 11 O5 Oh S 9 6 5 1.453 108.662 172.04 -0.6990 12 H5O Ho E 11 9 6 0.965 108.090 -177.58 0.4190 13 C4 Cg 3 9 6 5 1.547 110.532 51.66 0.2810 14 H4 H1 E 13 9 6 1.091 108.842 63.65 0.0000 15 O4 Oh S 13 9 6 1.460 110.450 -178.37 -0.6720 16 H4O Ho E 15 13 9 0.964 109.388 -155.63 0.4130 17 C3 Cg B 13 9 6 1.550 111.417 -56.44 0.2710 18 H3 H1 E 17 13 9 1.091 109.045 176.24 0.0000 19 O3 Oh S 17 13 9 1.458 108.952 -66.09 -0.6540 20 H3O Ho E 19 17 13 0.966 107.634 -43.74 0.4250 21 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100 22 H11 H1 E 21 4 3 1.091 110.432 -44.43 0.0000 23 H12 H1 E 21 4 3 1.091 109.780 74.50 0.0000 24 O1 Oh S 21 4 3 1.437 111.258 -165.16 -0.6560 25 H1O Ho E 24 21 4 0.970 105.489 -31.79 0.4050 LOOP C3 C2 DONE 0jB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130 5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800 6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000 7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000 8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220 9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320 10 C3 Cg 3 4 3 2 1.569 133.651 -166.33 0.3630 11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000 12 C4 Cg 3 10 4 3 1.551 110.614 144.95 0.1550 13 H4 H1 E 12 10 4 1.090 108.392 -65.40 0.0000 14 C5 Cg 3 12 10 4 1.550 111.966 54.12 0.3740 15 H5 H1 E 14 12 10 1.091 109.534 68.96 0.0000 16 C6 Cg 3 14 12 10 1.547 111.895 -52.01 0.2920 17 H6A H1 E 16 14 12 1.091 110.065 -70.83 0.0000 18 H6E H1 E 16 14 12 1.090 109.985 170.44 0.0000 19 O6 Os E 16 14 12 1.484 111.063 49.63 -0.5510 20 O5 Oh S 14 12 10 1.455 108.361 -172.59 -0.7290 21 H5O Ho E 20 14 12 0.962 111.074 69.64 0.4260 22 O4 Oh S 12 10 4 1.459 109.947 177.92 -0.6840 23 H4O Ho E 22 12 10 0.968 109.165 -169.60 0.4380 24 O3 Oh S 10 4 3 1.461 111.127 -95.90 -0.7250 25 H3O Ho E 24 10 4 0.967 106.570 -171.29 0.4320 LOOP O6 C2 DONE 0jD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920 5 O5 Os S 4 3 2 1.567 99.436 71.06 -0.4100 6 C5 Cg 3 5 4 3 1.585 113.292 149.88 0.1900 7 H5 H1 E 6 5 4 1.091 109.254 118.42 0.0000 8 C6 Cg 3 6 5 4 1.542 109.417 -121.68 0.3400 9 H61 H1 E 8 6 5 1.090 110.186 170.13 0.0000 10 H62 H1 E 8 6 5 1.090 110.250 50.63 0.0000 11 O6 Oh S 8 6 5 1.441 110.517 -70.42 -0.7250 12 H6O Ho E 11 8 6 0.959 110.296 -58.30 0.4250 13 C4 Cg 3 6 5 4 1.625 104.597 1.92 0.2330 14 H4 H1 E 13 6 5 1.090 107.076 101.60 0.0000 15 O4 Oh S 13 6 5 1.458 113.707 -139.62 -0.6710 16 H4O Ho E 15 13 6 0.965 110.086 -134.30 0.4140 17 C3 Cg B 13 6 5 1.642 107.375 -13.44 0.3930 18 H3 H1 E 17 13 6 1.091 111.073 142.12 0.0000 19 O3 Oh S 17 13 6 1.455 107.927 -98.38 -0.7480 20 H3O Ho E 19 17 13 0.969 106.278 -23.03 0.4460 21 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890 22 H11 H1 E 21 4 3 1.091 110.219 17.52 0.0000 23 H12 H1 E 21 4 3 1.091 109.769 136.51 0.0000 24 O1 Oh S 21 4 3 1.438 111.155 -103.20 -0.6540 25 H1O Ho E 24 21 4 0.969 105.999 -50.29 0.3800 LOOP C3 C2 DONE 0jU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510 5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330 6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000 7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000 8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970 9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150 10 C3 Cg 3 4 3 2 1.643 134.152 -137.11 0.2230 11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000 12 C4 Cg 3 10 4 3 1.639 106.529 149.37 0.2840 13 H4 H1 E 12 10 4 1.091 107.844 -100.60 0.0000 14 C5 Cg 3 12 10 4 1.619 107.844 15.28 0.1000 15 H5 H1 E 14 12 10 1.089 109.205 -129.69 0.0000 16 C6 Cg 3 14 12 10 1.537 115.282 106.51 0.3490 17 H61 H1 E 16 14 12 1.090 111.054 58.46 0.0000 18 H62 H1 E 16 14 12 1.089 110.316 -62.25 0.0000 19 O6 Oh S 16 14 12 1.435 108.026 178.22 -0.6840 20 H6O Ho E 19 16 14 0.962 107.568 44.32 0.4110 21 O5 Os E 14 12 10 1.585 104.895 -12.75 -0.3890 22 O4 Oh S 12 10 4 1.442 112.118 140.35 -0.6570 23 H4O Ho E 22 12 10 0.969 105.977 -9.00 0.4100 24 O3 Oh S 10 4 3 1.460 110.322 -92.24 -0.6710 25 H3O Ho E 24 10 4 0.971 106.808 11.93 0.4160 LOOP O5 C2 DONE 0kA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730 5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000 6 O5 Os S 4 3 2 1.481 126.032 109.83 -0.5400 7 C5 Cg 3 6 4 3 1.489 117.370 -172.09 0.3010 8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000 9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870 10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000 11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000 12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910 13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220 14 C4 Cg 3 7 6 4 1.549 109.902 -56.18 0.1960 15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000 16 O4 Oh S 14 7 6 1.440 109.315 -68.60 -0.7120 17 H4O Ho E 16 14 7 0.960 109.466 -58.47 0.4200 18 C3 Cg 3 14 7 6 1.541 113.058 50.90 0.3540 19 H3 H1 E 18 14 7 1.091 110.148 -170.51 0.0000 20 O3 Oh S 18 14 7 1.440 107.217 72.05 -0.7440 21 H3O Ho E 20 18 14 0.960 109.437 179.14 0.4360 22 C2 Cg B 18 14 7 1.544 111.196 -48.50 0.2810 23 H2 H1 E 22 18 14 1.091 106.696 -68.80 0.0000 24 O2 Oh S 22 18 14 1.439 110.836 175.80 -0.7160 25 H2O Ho E 24 22 18 0.960 109.409 -65.65 0.4270 LOOP C2 C1 DONE 0kB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490 5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000 6 C2 Cg 3 4 3 2 1.557 136.524 -158.30 0.3080 7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000 8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530 9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000 10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170 11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000 12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030 13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000 14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590 15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000 16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000 17 O6 Oh S 14 12 10 1.441 110.162 173.71 -0.6700 18 H6O Ho E 17 14 12 0.962 108.273 57.74 0.4160 19 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140 20 O4 Oh S 10 8 6 1.455 108.780 69.68 -0.7000 21 H4O Ho E 20 10 8 0.964 110.377 74.31 0.4250 22 O3 Oh S 8 6 4 1.452 110.271 -66.88 -0.7100 23 H3O Ho E 22 8 6 0.968 107.267 -52.72 0.4420 24 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100 25 H2O Ho E 24 6 4 0.965 108.091 -56.20 0.4260 LOOP O5 C1 DONE 0lA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650 5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000 6 O5 Os S 4 3 2 1.482 127.882 108.48 -0.5270 7 C5 Cg 3 6 4 3 1.490 117.039 -170.42 0.2160 8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000 9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080 10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000 11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000 12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840 13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180 14 C4 Cg 3 7 6 4 1.544 109.289 -57.41 0.2040 15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000 16 O4 Oh S 14 7 6 1.445 108.372 -65.83 -0.6730 17 H4O Ho E 16 14 7 0.960 109.470 -59.12 0.4360 18 C3 Cg 3 14 7 6 1.544 110.422 54.45 0.2530 19 H3 H1 E 18 14 7 1.091 108.559 66.00 0.0000 20 O3 Oh S 18 14 7 1.440 109.147 -176.39 -0.7010 21 H3O Ho E 20 18 14 0.960 109.438 -179.39 0.4330 22 C2 Cg B 18 14 7 1.541 111.714 -54.48 0.3390 23 H2 H1 E 22 18 14 1.091 108.995 -66.63 0.0000 24 O2 Oh S 22 18 14 1.440 110.049 175.31 -0.7240 25 H2O Ho E 24 22 18 0.960 109.415 -62.60 0.4310 LOOP C2 C1 DONE 0lB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740 5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000 6 C2 Cg 3 4 3 2 1.558 139.693 -157.87 0.3570 7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000 8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590 9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000 10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030 11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000 12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400 13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000 14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190 15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000 16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000 17 O6 Oh S 14 12 10 1.437 109.027 173.44 -0.6930 18 H6O Ho E 17 14 12 0.961 107.830 58.33 0.4190 19 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020 20 O4 Oh S 10 8 6 1.449 109.638 65.91 -0.6640 21 H4O Ho E 20 10 8 0.967 107.158 51.40 0.4370 22 O3 Oh S 8 6 4 1.455 110.815 175.60 -0.6940 23 H3O Ho E 22 8 6 0.967 107.449 52.82 0.4330 24 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260 25 H2O Ho E 24 6 4 0.965 107.724 -55.10 0.4320 LOOP O5 C1 DONE 0mA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330 5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000 6 O5 Os S 4 3 2 1.470 109.980 48.26 -0.5070 7 C5 Cg 3 6 4 3 1.497 118.408 -149.79 0.2760 8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000 9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660 10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000 11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000 12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880 13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220 14 C4 Cg 3 7 6 4 1.546 110.394 -50.35 0.3260 15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000 16 O4 Oh S 14 7 6 1.452 108.824 171.70 -0.7330 17 H4O Ho E 16 14 7 0.966 107.267 -173.46 0.4380 18 C3 Cg 3 14 7 6 1.549 110.605 52.31 0.2520 19 H3 H1 E 18 14 7 1.092 108.663 62.49 0.0000 20 O3 Oh S 18 14 7 1.461 110.813 -179.59 -0.6960 21 H3O Ho E 20 18 14 0.964 109.699 -161.58 0.4310 22 C2 Cg B 18 14 7 1.545 111.609 -57.15 0.2450 23 H2 H1 E 22 18 14 1.091 109.207 175.17 0.0000 24 O2 Oh S 22 18 14 1.459 109.731 -66.73 -0.7170 25 H2O Ho E 24 22 18 0.965 108.621 -45.43 0.4460 LOOP C2 C1 DONE 0mB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140 5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000 6 C2 Cg 3 4 3 2 1.554 139.883 -166.84 0.2410 7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000 8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630 9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000 10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490 11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000 12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060 13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000 14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730 15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000 16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000 17 O6 Oh S 14 12 10 1.439 109.850 179.68 -0.6800 18 H6O Ho E 17 14 12 0.962 108.414 55.86 0.4190 19 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930 20 O4 Oh S 10 8 6 1.452 109.624 -176.73 -0.7460 21 H4O Ho E 20 10 8 0.963 108.380 -79.71 0.4430 22 O3 Oh S 8 6 4 1.457 110.746 -174.70 -0.6920 23 H3O Ho E 22 8 6 0.962 109.624 154.41 0.4300 24 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640 25 H2O Ho E 24 6 4 0.964 107.524 55.50 0.4310 LOOP O5 C1 DONE 0nA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780 5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000 6 O5 Os S 4 3 2 1.480 126.608 106.62 -0.6110 7 C5 Cg 3 6 4 3 1.489 118.545 -177.31 0.4040 8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000 9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800 10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000 11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000 12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630 13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960 14 C4 Cg 3 7 6 4 1.545 108.589 -54.12 0.1670 15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000 16 O4 Oh S 14 7 6 1.439 109.651 175.64 -0.7330 17 H4O Ho E 16 14 7 0.960 109.442 -61.75 0.4440 18 C3 Cg 3 14 7 6 1.543 113.659 53.11 0.3300 19 H3 H1 E 18 14 7 1.091 110.022 -173.93 0.0000 20 O3 Oh S 18 14 7 1.445 109.798 66.31 -0.7140 21 H3O Ho E 20 18 14 0.960 109.446 64.20 0.4410 22 C2 Cg B 18 14 7 1.541 108.602 -53.52 0.2280 23 H2 H1 E 22 18 14 1.091 106.837 -65.32 0.0000 24 O2 Oh S 22 18 14 1.439 110.703 179.06 -0.6680 25 H2O Ho E 24 22 18 0.960 109.386 -64.03 0.4150 LOOP C2 C1 DONE 0nB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220 5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000 6 C2 Cg 3 4 3 2 1.558 137.931 -159.60 0.3010 7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000 8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340 9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000 10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860 11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000 12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980 13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000 14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130 15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000 16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000 17 O6 Oh S 14 12 10 1.438 109.178 -178.76 -0.6890 18 H6O Ho E 17 14 12 0.962 107.694 47.58 0.4180 19 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070 20 O4 Oh S 10 8 6 1.447 109.608 179.74 -0.7070 21 H4O Ho E 20 10 8 0.966 108.053 38.89 0.4300 22 O3 Oh S 8 6 4 1.458 109.599 -65.98 -0.6150 23 H3O Ho E 22 8 6 0.967 107.516 -48.26 0.3890 24 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030 25 H2O Ho E 24 6 4 0.966 108.382 -58.42 0.4240 LOOP O5 C1 DONE 0oA INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050 5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000 6 O5 Os S 4 3 2 1.471 105.819 50.53 -0.4240 7 C5 Cg 3 6 4 3 1.515 118.146 -155.23 0.0540 8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000 9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960 10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220 11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220 12 C4 Cg 3 7 6 4 1.540 109.060 -52.35 0.2670 13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000 14 O4 Oh S 12 7 6 1.455 107.562 -64.91 -0.7040 15 H4O Ho E 14 12 7 0.981 106.629 -34.53 0.4290 16 C3 Cg 3 12 7 6 1.551 109.735 56.67 0.2510 17 H3 H1 E 16 12 7 1.092 108.010 56.95 0.0000 18 O3 Oh S 16 12 7 1.460 111.816 174.01 -0.7250 19 H3O Ho E 18 16 12 0.964 107.278 157.34 0.4160 20 C2 Cg B 16 12 7 1.548 110.284 -61.11 0.4130 21 H2 H1 E 20 16 12 1.091 109.347 -64.48 0.0000 22 O2 Oh S 20 16 12 1.464 110.220 176.88 -0.7710 23 H2O Ho E 22 20 16 0.966 105.614 -87.16 0.4310 LOOP C2 C1 DONE 0oB INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010 5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000 6 C2 Cg 3 4 3 2 1.559 138.871 -159.91 0.3830 7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000 8 C3 Cg 3 6 4 3 1.553 110.962 144.51 0.2590 9 H3 H1 E 8 6 4 1.092 108.228 -67.30 0.0000 10 C4 Cg 3 8 6 4 1.548 111.733 51.56 0.2600 11 H4 H1 E 10 8 6 1.091 108.447 -176.52 0.0000 12 C5 Cg 3 10 8 6 1.538 110.856 -55.81 0.0490 13 H5 H1 E 12 10 8 1.092 107.135 -59.52 0.0000 14 C6 C B 12 10 8 1.574 110.283 -172.73 0.8380 15 O6A O2 E 14 12 10 1.254 118.706 -136.36 -0.7940 16 O6B O2 E 14 12 10 1.256 116.247 49.13 -0.7940 17 O5 Os E 12 10 8 1.506 109.239 55.41 -0.4140 18 O4 Oh S 10 8 6 1.450 109.430 65.27 -0.6610 19 H4O Ho E 18 10 8 0.961 107.547 51.96 0.4020 20 O3 Oh S 8 6 4 1.466 112.472 174.09 -0.7080 21 H3O Ho E 20 8 6 0.961 109.065 156.60 0.4040 22 O2 Oh S 6 4 3 1.460 107.566 23.78 -0.7320 23 H2O Ho E 22 6 4 0.962 106.473 -54.35 0.4010 LOOP O5 C1 DONE 0pA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170 5 O6 Os S 4 3 2 1.488 134.068 95.67 -0.5980 6 C6 Cg 3 5 4 3 1.482 118.332 -161.65 0.3930 7 H6A H1 E 6 5 4 1.091 109.250 66.45 0.0000 8 H6E H1 E 6 5 4 1.090 109.091 -175.40 0.0000 9 C5 Cg 3 6 5 4 1.536 109.077 -54.75 0.1530 10 H5 H1 E 9 6 5 1.091 108.321 -65.28 0.0000 11 O5 Oh S 9 6 5 1.437 108.893 177.77 -0.6930 12 H5O Ho E 11 9 6 0.960 109.495 178.45 0.4280 13 C4 Cg 3 9 6 5 1.541 113.177 55.00 0.3940 14 H4 H1 E 13 9 6 1.091 110.012 -174.96 0.0000 15 O4 Oh S 13 9 6 1.445 109.714 65.32 -0.7020 16 H4O Ho E 15 13 9 0.960 109.435 -179.19 0.4320 17 C3 Cg B 13 9 6 1.543 108.511 -54.52 0.1500 18 H3 H1 E 17 13 9 1.091 106.088 -66.29 0.0000 19 O3 Oh S 17 13 9 1.441 110.125 178.95 -0.6650 20 H3O Ho E 19 17 13 0.960 109.411 -65.90 0.4090 21 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270 22 H11 H1 E 21 4 3 1.091 110.426 -89.86 0.0000 23 H12 H1 E 21 4 3 1.091 110.581 29.73 0.0000 24 O1 Oh S 21 4 3 1.436 110.176 150.08 -0.6440 25 H1O Ho E 24 21 4 0.960 109.427 -60.11 0.3930 LOOP C3 C2 DONE 0pB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070 5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790 6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000 7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000 8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200 9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100 10 C3 Cg 3 4 3 2 1.562 136.654 -159.34 0.1800 11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000 12 C4 Cg 3 10 4 3 1.548 113.222 144.34 0.3280 13 H4 H1 E 12 10 4 1.091 109.035 170.62 0.0000 14 C5 Cg 3 12 10 4 1.546 111.648 50.00 0.1880 15 H5 H1 E 14 12 10 1.091 108.531 65.60 0.0000 16 C6 Cg 3 14 12 10 1.540 111.137 -53.12 0.3640 17 H6A H1 E 16 14 12 1.091 110.957 -65.43 0.0000 18 H6E H1 E 16 14 12 1.090 110.095 174.89 0.0000 19 O6 Os E 16 14 12 1.483 108.996 55.37 -0.5400 20 O5 Oh S 14 12 10 1.454 110.567 -176.42 -0.7050 21 H5O Ho E 20 14 12 0.967 108.400 37.89 0.4330 22 O4 Oh S 12 10 4 1.453 109.303 -71.38 -0.6980 23 H4O Ho E 22 12 10 0.967 106.113 -55.83 0.4270 24 O3 Oh S 10 4 3 1.462 112.137 18.93 -0.6810 25 H3O Ho E 24 10 4 0.967 108.335 -65.45 0.4220 LOOP O6 C2 DONE 0pD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240 5 O5 Os S 4 3 2 1.578 107.245 118.43 -0.4530 6 C5 Cg 3 5 4 3 1.580 112.574 125.89 0.1940 7 H5 H1 E 6 5 4 1.092 109.225 119.03 0.0000 8 C6 Cg 3 6 5 4 1.529 108.517 -121.64 0.2910 9 H61 H1 E 8 6 5 1.090 110.281 176.00 0.0000 10 H62 H1 E 8 6 5 1.091 110.695 55.73 0.0000 11 O6 Oh S 8 6 5 1.433 108.604 -64.48 -0.6950 12 H6O Ho E 11 8 6 0.960 109.454 -59.02 0.4110 13 C4 Cg 3 6 5 4 1.626 105.532 -0.49 0.2820 14 H4 H1 E 13 6 5 1.091 112.773 -134.13 0.0000 15 O4 Oh S 13 6 5 1.437 105.885 105.93 -0.6830 16 H4O Ho E 15 13 6 0.960 109.464 -177.78 0.4210 17 C3 Cg B 13 6 5 1.629 106.867 -10.85 0.3340 18 H3 H1 E 17 13 6 1.090 106.567 -97.07 0.0000 19 O3 Oh S 17 13 6 1.441 113.670 145.25 -0.6610 20 H3O Ho E 19 17 13 0.960 109.502 57.68 0.4150 21 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860 22 H11 H1 E 21 4 3 1.091 110.553 139.19 0.0000 23 H12 H1 E 21 4 3 1.091 110.436 -100.78 0.0000 24 O1 Oh S 21 4 3 1.434 109.386 19.30 -0.6910 25 H1O Ho E 24 21 4 0.960 109.478 -179.30 0.4190 LOOP C3 C2 DONE 0pU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880 5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650 6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000 7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000 8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870 9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180 10 C3 Cg 3 4 3 2 1.631 108.524 -109.61 0.3340 11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000 12 C4 Cg 3 10 4 3 1.631 107.756 169.64 0.1920 13 H4 H1 E 12 10 4 1.091 111.099 133.10 0.0000 14 C5 Cg 3 12 10 4 1.623 107.338 10.25 0.3690 15 H5 H1 E 14 12 10 1.092 111.285 -129.81 0.0000 16 C6 Cg 3 14 12 10 1.529 112.798 106.76 0.2150 17 H61 H1 E 16 14 12 1.090 110.301 60.35 0.0000 18 H62 H1 E 16 14 12 1.091 110.659 -59.91 0.0000 19 O6 Oh S 16 14 12 1.433 108.649 179.93 -0.6780 20 H6O Ho E 19 16 14 0.960 109.500 -58.51 0.4210 21 O5 Os E 14 12 10 1.576 105.494 -11.41 -0.4800 22 O4 Oh S 12 10 4 1.438 110.850 -105.23 -0.7110 23 H4O Ho E 22 12 10 0.960 109.445 -179.82 0.4380 24 O3 Oh S 10 4 3 1.441 112.255 44.83 -0.7140 25 H3O Ho E 24 10 4 0.960 109.493 177.90 0.4240 LOOP O5 C2 DONE 0qA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650 5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000 6 O5 Os S 4 3 2 1.467 70.798 -67.46 -0.5590 7 C5 Cg 3 6 4 3 1.487 117.291 -66.87 0.2340 8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000 9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600 10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000 11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000 12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000 13 C4 Cg 3 7 6 4 1.546 110.112 -53.83 0.2080 14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000 15 O4 Oh S 13 7 6 1.456 108.902 171.97 -0.6640 16 H4O Ho E 15 13 7 0.963 110.329 76.40 0.4030 17 C3 Cg 3 13 7 6 1.550 111.848 51.22 0.3120 18 H3 H1 E 17 13 7 1.092 109.484 68.56 0.0000 19 O3 Oh S 17 13 7 1.451 107.191 -173.73 -0.6970 20 H3O Ho E 19 17 13 0.963 107.525 -56.57 0.4240 21 C2 Cg B 17 13 7 1.550 112.115 -52.85 0.2810 22 H2 H1 E 21 17 13 1.091 108.369 -65.92 0.0000 23 O2 Oh S 21 17 13 1.464 112.236 175.32 -0.6950 24 H2O Ho E 23 21 17 0.963 109.360 -65.35 0.4220 LOOP C2 C1 DONE 0qB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910 5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000 6 C2 Cg 3 4 3 2 1.554 136.503 -160.98 0.3230 7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000 8 C3 Cg 3 6 4 3 1.546 109.870 145.94 0.3000 9 H3 H1 E 8 6 4 1.092 108.841 -69.08 0.0000 10 C4 Cg 3 8 6 4 1.549 112.577 51.86 0.2500 11 H4 H1 E 10 8 6 1.092 109.316 68.82 0.0000 12 C5 Cg 3 10 8 6 1.548 111.410 -52.00 0.2710 13 H5 H1 E 12 10 8 1.092 109.263 -66.11 0.0000 14 C6 Cg 3 12 10 8 1.530 114.065 172.27 0.0480 15 H61 Hc E 14 12 10 1.091 111.262 -178.50 0.0000 16 H62 Hc E 14 12 10 1.091 111.509 62.03 0.0000 17 H63 Hc E 14 12 10 1.091 111.710 -58.34 0.0000 18 O5 Os E 12 10 8 1.486 109.336 52.29 -0.5350 19 O4 Oh S 10 8 6 1.451 109.144 -172.28 -0.7130 20 H4O Ho E 19 10 8 0.966 107.748 -53.29 0.4210 21 O3 Oh S 8 6 4 1.454 109.133 172.74 -0.6890 22 H3O Ho E 21 8 6 0.966 107.391 52.07 0.4200 23 O2 Oh S 6 4 3 1.460 110.327 25.57 -0.7130 24 H2O Ho E 23 6 4 0.966 107.987 -53.85 0.4200 LOOP O5 C1 DONE 0rA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880 5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000 6 O5 Os S 4 3 2 1.483 136.062 95.09 -0.5610 7 C5 Cg 3 6 4 3 1.483 117.768 -164.72 0.3770 8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000 9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000 10 C4 Cg 3 7 6 4 1.537 109.246 -54.64 0.1220 11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000 12 O4 Oh S 10 7 6 1.437 108.837 177.17 -0.6630 13 H4O Ho E 12 10 7 0.960 109.433 -61.56 0.4190 14 C3 Cg 3 10 7 6 1.542 113.340 54.31 0.3450 15 H3 H1 E 14 10 7 1.091 110.108 -174.25 0.0000 16 O3 Oh S 14 10 7 1.445 109.754 65.90 -0.7370 17 H3O Ho E 16 14 10 0.960 109.441 63.11 0.4430 18 C2 Cg B 14 10 7 1.542 108.334 -53.79 0.2530 19 H2 H1 E 18 14 10 1.091 106.798 -65.63 0.0000 20 O2 Oh S 18 14 10 1.439 110.674 178.86 -0.7110 21 H2O Ho E 20 18 14 0.960 109.367 -64.08 0.4190 LOOP C2 C1 DONE 0rB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810 5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000 6 C2 Cg 3 4 3 2 1.563 140.544 -157.28 0.3850 7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000 8 C3 Cg 3 6 4 3 1.550 109.259 132.95 0.2030 9 H3 H1 E 8 6 4 1.091 109.709 178.53 0.0000 10 C4 Cg 3 8 6 4 1.548 108.635 58.66 0.2360 11 H4 H1 E 10 8 6 1.091 108.914 60.36 0.0000 12 C5 Cg 3 10 8 6 1.549 110.878 -58.91 0.3350 13 H5A H1 E 12 10 8 1.091 110.751 -65.58 0.0000 14 H5E H1 E 12 10 8 1.090 110.011 175.14 0.0000 15 O5 Os E 12 10 8 1.488 109.926 55.20 -0.5760 16 O4 Oh S 10 8 6 1.453 110.299 178.35 -0.6950 17 H4O Ho E 16 10 8 0.963 110.348 -71.99 0.4110 18 O3 Oh S 8 6 4 1.460 111.251 -60.93 -0.6960 19 H3O Ho E 18 8 6 0.965 108.989 176.00 0.4280 20 O2 Oh S 6 4 3 1.459 113.253 8.58 -0.7320 21 H2O Ho E 20 6 4 0.963 108.588 -45.68 0.4140 LOOP O5 C1 DONE 0rD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450 5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000 6 O4 Os S 4 3 2 1.561 97.975 72.12 -0.5130 7 C4 Cg 3 6 4 3 1.590 113.384 153.92 0.3270 8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000 9 C5 Cg 3 7 6 4 1.540 110.745 -124.36 0.1950 10 H51 H1 E 9 7 6 1.090 109.790 172.36 0.0000 11 H52 H1 E 9 7 6 1.090 109.854 53.62 0.0000 12 O5 Oh S 9 7 6 1.441 111.480 -67.27 -0.6670 13 H5O Ho E 12 9 7 0.961 110.927 -63.80 0.4080 14 C3 Cg 3 7 6 4 1.627 104.801 -3.59 0.2750 15 H3 H1 E 14 7 6 1.090 111.845 -130.65 0.0000 16 O3 Oh S 14 7 6 1.452 108.122 109.49 -0.7390 17 H3O Ho E 16 14 7 0.969 108.678 -102.78 0.4380 18 C2 Cg B 14 7 6 1.641 107.074 -9.06 0.3180 19 H2 H1 E 18 14 7 1.090 106.590 -95.30 0.0000 20 O2 Oh S 18 14 7 1.461 113.571 147.17 -0.7090 21 H2O Ho E 20 18 14 0.962 110.320 57.03 0.4160 LOOP C2 C1 DONE 0rU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780 5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000 6 C2 Cg 3 4 3 2 1.633 131.021 -175.92 0.2930 7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000 8 C3 Cg 3 6 4 3 1.643 106.357 -122.88 0.2890 9 H3 H1 E 8 6 4 1.091 108.114 103.55 0.0000 10 C4 Cg 3 8 6 4 1.616 107.735 -14.49 0.1020 11 H4 H1 E 10 8 6 1.091 109.546 -104.49 0.0000 12 C5 Cg 3 10 8 6 1.534 112.497 133.15 0.3380 13 H51 H1 E 12 10 8 1.090 110.394 -65.27 0.0000 14 H52 H1 E 12 10 8 1.090 110.006 54.34 0.0000 15 O5 Oh S 12 10 8 1.436 109.887 174.05 -0.6920 16 H5O Ho E 15 12 10 0.959 109.586 -178.63 0.4150 17 O4 Os E 10 8 6 1.587 104.949 11.40 -0.4240 18 O3 Oh S 8 6 4 1.443 112.608 -136.62 -0.6830 19 H3O Ho E 18 8 6 0.968 106.484 22.47 0.4280 20 O2 Oh S 6 4 3 1.462 109.045 117.82 -0.6700 21 H2O Ho E 20 6 4 0.963 109.628 -69.88 0.4200 LOOP O4 C1 DONE 0sA INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370 5 O6 Oy S 4 3 2 1.434 70.506 -75.66 -0.4030 6 C6 Cg 3 5 4 3 1.441 115.367 171.46 0.2200 7 H6 H1 E 6 5 4 1.090 109.244 -47.22 0.0000 8 C7 Cg 3 6 5 4 1.543 109.559 -161.44 0.1110 9 H7 H1 E 8 6 5 1.091 107.799 168.79 0.0000 10 O7 Oh S 8 6 5 1.460 110.189 -74.65 -0.7210 11 H7O Ho E 10 8 6 0.977 109.950 -68.18 0.4350 12 C8 Cg 3 8 6 5 1.556 112.192 50.24 0.4920 13 H8 H1 E 12 8 6 1.091 109.991 -62.63 0.0000 14 O8 Oh S 12 8 6 1.460 109.072 56.72 -0.7390 15 H8O Ho E 14 12 8 0.983 110.254 -72.72 0.4120 16 C9 Cg 3 12 8 6 1.552 112.385 175.84 0.1780 17 H9R H1 E 16 12 8 1.091 109.920 -62.24 0.0000 18 H9S H1 E 16 12 8 1.090 110.169 56.42 0.0000 19 O9 Oh S 16 12 8 1.449 111.722 176.90 -0.6890 20 H9O Ho E 19 16 12 0.965 107.018 49.30 0.4080 21 C5 Cg 3 6 5 4 1.544 107.983 67.65 0.3080 22 H5 H1 E 21 6 5 1.092 108.575 62.14 0.0000 23 N5 Ng B 21 6 5 1.484 110.767 -178.16 -0.6290 24 H5N H E 23 21 6 1.007 117.476 80.00 0.2800 25 C5N C B 23 21 6 1.337 123.580 -93.52 0.6320 26 O5N O E 25 23 21 1.228 122.141 0.64 -0.5930 27 CME Cg 3 25 23 21 1.541 116.316 179.71 -0.0030 28 H1M Hc E 27 25 23 1.091 109.337 -90.47 0.0000 29 H2M Hc E 27 25 23 1.091 109.813 150.00 0.0000 30 H3M Hc E 27 25 23 1.092 110.905 29.98 0.0000 31 C4 Cg 3 21 6 5 1.560 108.513 -55.53 0.3320 32 H4 H1 E 31 21 6 1.091 108.674 -70.08 0.0000 33 O4 Oh S 31 21 6 1.451 110.232 171.69 -0.7620 34 H4O Ho E 33 31 21 0.959 109.266 56.92 0.4150 35 C3 Cg B 31 21 6 1.539 113.169 50.35 0.0060 36 H3A Hc E 35 31 21 1.094 108.947 71.64 0.0000 37 H3E Hc E 35 31 21 1.092 110.387 -172.94 0.0000 38 C1 C B 4 3 2 1.638 116.547 29.83 0.7890 39 O1B O2 E 38 4 3 1.255 119.143 137.62 -0.7610 40 O1A O2 E 38 4 3 1.261 116.232 -48.95 -0.7610 LOOP C3 C2 DONE 0sB INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900 5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790 6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390 7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390 8 C3 Cg 3 4 3 2 1.549 127.310 -158.14 0.1330 9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000 10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000 11 C4 Cg 3 8 4 3 1.538 112.523 -114.19 0.2030 12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000 13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230 14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000 15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080 16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000 17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780 18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000 19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670 20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000 21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010 22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000 23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000 24 O9 Oh S 21 19 17 1.445 110.971 179.23 -0.6720 25 H9O Ho E 24 21 19 0.965 106.904 44.06 0.3930 26 O8 Oh S 19 17 15 1.460 109.033 50.18 -0.7040 27 H8O Ho E 26 19 17 0.967 107.039 -66.84 0.3920 28 O7 Oh S 17 15 13 1.449 109.778 46.77 -0.6560 29 H7O Ho E 28 17 15 0.974 109.644 -69.17 0.3900 30 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440 31 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690 32 H5N H E 31 13 11 1.005 117.089 -42.64 0.2610 33 C5N C B 31 13 11 1.332 123.259 141.20 0.6780 34 CME Cg 3 33 31 13 1.541 116.623 -176.07 -0.0050 35 H1M Hc E 34 33 31 1.091 109.699 -143.39 0.0000 36 H2M Hc E 34 33 31 1.091 109.294 97.18 0.0000 37 H3M Hc E 34 33 31 1.092 111.130 -23.27 0.0000 38 O5N O E 33 31 13 1.226 121.725 3.82 -0.6340 39 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140 40 H4O Ho E 39 11 8 0.961 110.372 -177.37 0.3900 LOOP O6 C2 DONE 0tA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560 5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000 6 O5 Os S 4 3 2 1.485 128.488 106.55 -0.4800 7 C5 Cg 3 6 4 3 1.488 117.752 -170.76 0.1570 8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000 9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040 10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000 11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000 12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690 13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010 14 C4 Cg 3 7 6 4 1.544 109.541 -57.17 0.4340 15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000 16 O4 Oh S 14 7 6 1.443 109.067 -67.36 -0.7310 17 H4O Ho E 16 14 7 0.960 109.459 -59.56 0.4170 18 C3 Cg 3 14 7 6 1.543 109.739 53.52 0.1240 19 H3 H1 E 18 14 7 1.091 106.734 65.74 0.0000 20 O3 Oh S 18 14 7 1.439 110.707 -178.75 -0.6870 21 H3O Ho E 20 18 14 0.960 109.479 -176.63 0.4420 22 C2 Cg B 18 14 7 1.545 114.910 -52.34 0.2450 23 H2 H1 E 22 18 14 1.091 109.723 171.12 0.0000 24 O2 Oh S 22 18 14 1.440 110.347 -69.94 -0.6550 25 H2O Ho E 24 22 18 0.960 109.490 -179.95 0.4360 LOOP C2 C1 DONE 0tB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060 5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000 6 C2 Cg 3 4 3 2 1.544 110.973 -112.92 0.3400 7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000 8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740 9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000 10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140 11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000 12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310 13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000 14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490 15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000 16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000 17 O6 Oh S 14 12 10 1.434 108.837 172.73 -0.6660 18 H6O Ho E 17 14 12 0.960 109.430 59.34 0.4060 19 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540 20 O4 Oh S 10 8 6 1.443 110.169 69.26 -0.6260 21 H4O Ho E 20 10 8 0.960 109.455 179.72 0.4130 22 O3 Oh S 8 6 4 1.439 110.677 177.92 -0.6780 23 H3O Ho E 22 8 6 0.960 109.373 -64.24 0.4250 24 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370 25 H2O Ho E 24 6 4 0.960 109.413 58.90 0.3970 LOOP O5 C1 DONE 0tV INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.351 114.839 -132.95 0.4700 5 H1 H1 E 4 3 2 1.090 124.986 34.06 0.0000 6 O5 Os S 4 3 2 1.470 71.584 -66.23 -0.5160 7 C5 Cg 3 6 4 3 1.490 117.436 -68.78 0.3010 8 H5 H1 E 7 6 4 1.092 108.176 67.65 0.0000 9 C6 Cg 3 7 6 4 1.530 106.823 -175.86 0.0070 10 H61 Hc E 9 7 6 1.091 111.306 -56.97 0.0000 11 H62 Hc E 9 7 6 1.091 111.681 63.21 0.0000 12 H63 Hc E 9 7 6 1.091 111.485 -176.46 0.0000 13 C4 Cg 3 7 6 4 1.553 110.400 -51.43 0.3020 14 H4 H1 E 13 7 6 1.091 109.486 -67.87 0.0000 15 O4 Oh S 13 7 6 1.446 110.075 172.75 -0.7390 16 H4O Ho E 15 13 7 0.961 109.446 177.45 0.4390 17 C3 Cg 3 13 7 6 1.535 112.112 53.80 -0.0140 18 H31 Hc E 17 13 7 1.093 110.620 -177.58 0.0000 19 H32 Hc E 17 13 7 1.093 110.093 66.30 0.0000 20 C2 Cg B 17 13 7 1.535 111.168 -54.29 0.1910 21 H2 H1 E 20 17 13 1.091 108.971 171.23 0.0000 22 O2 Oh S 20 17 13 1.451 107.118 -72.88 -0.6720 23 H2O Ho E 22 20 17 0.962 109.923 -70.16 0.4250 LOOP C2 C1 DONE 0tv INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 42.063 124.523 -153.51 0.4280 5 H1 H1 E 4 3 2 1.091 137.718 140.13 0.0000 6 C2 Cg 3 4 3 2 1.543 92.512 17.53 0.2080 7 H2 H1 E 6 4 3 1.091 110.018 85.50 0.0000 8 C3 Cg 3 6 4 3 1.538 110.852 -153.13 0.0070 9 H31 Hc E 8 6 4 1.092 110.440 174.77 0.0000 10 H32 Hc E 8 6 4 1.093 108.417 -70.21 0.0000 11 C4 Cg 3 8 6 4 1.542 111.976 51.41 0.2960 12 H4 H1 E 11 8 6 1.091 109.168 71.88 0.0000 13 C5 Cg 3 11 8 6 1.544 113.120 -50.24 0.2710 14 H5 H1 E 13 11 8 1.092 109.438 -67.05 0.0000 15 C6 Cg 3 13 11 8 1.530 114.414 170.77 0.0170 16 H61 Hc E 15 13 11 1.091 111.431 62.00 0.0000 17 H62 Hc E 15 13 11 1.091 111.279 -178.53 0.0000 18 H63 Hc E 15 13 11 1.091 111.734 -58.32 0.0000 19 O5 Os E 13 11 8 1.481 108.725 51.10 -0.4960 20 O4 Oh S 11 8 6 1.436 107.645 -170.11 -0.7290 21 H4O Ho E 20 11 8 0.960 109.450 -178.68 0.4250 22 O2 Oh S 6 4 3 1.442 110.000 -34.21 -0.6440 23 H2O Ho E 22 6 4 0.960 109.465 -179.91 0.4110 LOOP O5 C1 DONE 0uA INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630 5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000 6 O5 Os S 4 3 2 1.464 75.208 -64.60 -0.5150 7 C5 Cg 3 6 4 3 1.503 115.778 174.97 0.2320 8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000 9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970 10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570 11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570 12 C4 Cg 3 7 6 4 1.541 106.777 61.95 0.2230 13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000 14 O4 Oh S 12 7 6 1.461 110.851 178.69 -0.7110 15 H4O Ho E 14 12 7 0.984 107.477 28.92 0.3970 16 C3 Cg 3 12 7 6 1.551 110.331 -57.99 0.4170 17 H3 H1 E 16 12 7 1.092 108.572 -66.35 0.0000 18 O3 Oh S 16 12 7 1.454 107.203 176.93 -0.7710 19 H3O Ho E 18 16 12 0.966 105.279 42.17 0.4170 20 C2 Cg B 16 12 7 1.555 113.490 54.77 0.2590 21 H2 H1 E 20 16 12 1.092 108.782 71.56 0.0000 22 O2 Oh S 20 16 12 1.469 110.384 -169.42 -0.6850 23 H2O Ho E 22 20 16 0.960 110.184 53.77 0.3850 LOOP C2 C1 DONE 0uB INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780 5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000 6 C2 Cg 3 4 3 2 1.557 131.485 -157.03 0.2890 7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000 8 C3 Cg 3 6 4 3 1.545 111.752 -104.72 0.2860 9 H3 H1 E 8 6 4 1.091 110.248 64.55 0.0000 10 C4 Cg 3 8 6 4 1.552 109.635 -56.61 0.3080 11 H4 H1 E 10 8 6 1.092 107.907 -61.83 0.0000 12 C5 Cg 3 10 8 6 1.546 112.015 56.37 0.1940 13 H5 H1 E 12 10 8 1.091 107.278 -167.70 0.0000 14 C6 C B 12 10 8 1.581 111.637 77.65 0.7500 15 O6A O2 E 14 12 10 1.252 117.516 -129.70 -0.7830 16 O6B O2 E 14 12 10 1.255 117.682 48.62 -0.7830 17 O5 Os E 12 10 8 1.512 108.685 -52.87 -0.4300 18 O4 Oh S 10 8 6 1.456 110.245 -178.60 -0.7450 19 H4O Ho E 18 10 8 0.987 106.847 -97.51 0.4220 20 O3 Oh S 8 6 4 1.460 109.228 -175.94 -0.7550 21 H3O Ho E 20 8 6 0.968 105.498 164.14 0.4210 22 O2 Oh S 6 4 3 1.455 112.599 20.48 -0.6800 23 H2O Ho E 22 6 4 0.964 105.470 -160.22 0.4220 LOOP O5 C1 DONE 0vA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890 5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000 6 O5 Os S 4 3 2 1.470 74.128 -62.95 -0.4660 7 C5 Cg 3 6 4 3 1.497 117.776 -69.87 0.1120 8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000 9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620 10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000 11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000 12 O6 Oh S 9 7 6 1.435 111.052 63.47 -0.7110 13 H6O Ho E 12 9 7 0.972 106.687 28.27 0.4240 14 C4 Cg 3 7 6 4 1.548 110.914 -51.03 0.3260 15 H4 H1 E 14 7 6 1.091 109.088 172.26 0.0000 16 O4 Oh S 14 7 6 1.450 110.237 -68.94 -0.7010 17 H4O Ho E 16 14 7 0.968 106.613 169.99 0.4420 18 C3 Cg 3 14 7 6 1.547 111.081 51.89 0.1760 19 H3 H1 E 18 14 7 1.091 107.961 63.63 0.0000 20 O3 Oh S 18 14 7 1.462 109.029 179.93 -0.6780 21 H3O Ho E 20 18 14 0.964 110.475 -178.25 0.4250 22 C2 Cg B 18 14 7 1.551 111.657 -55.51 0.3990 23 H2 H1 E 22 18 14 1.092 107.862 -63.61 0.0000 24 N2 Ng B 22 18 14 1.483 110.775 178.49 -0.5950 25 H2N H E 24 22 18 1.007 117.335 -40.12 0.2380 26 C2N C B 24 22 18 1.336 122.570 153.82 0.6250 27 O2N O E 26 24 22 1.227 121.897 -4.65 -0.6050 28 CME Cg 3 26 24 22 1.541 116.317 175.68 0.0320 29 H1M Hc E 28 26 24 1.091 109.644 69.76 0.0000 30 H2M Hc E 28 26 24 1.091 110.181 -170.34 0.0000 31 H3M Hc E 28 26 24 1.091 110.069 -50.52 0.0000 LOOP C2 C1 DONE 0vB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050 5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000 6 C2 Cg 3 4 3 2 1.568 137.512 -160.40 0.5440 7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000 8 C3 Cg 3 6 4 3 1.558 108.807 140.94 0.1520 9 H3 H1 E 8 6 4 1.092 108.105 -63.18 0.0000 10 C4 Cg 3 8 6 4 1.544 111.369 55.44 0.2530 11 H4 H1 E 10 8 6 1.091 109.237 -177.04 0.0000 12 C5 Cg 3 10 8 6 1.544 111.265 -56.32 0.1360 13 H5 H1 E 12 10 8 1.092 107.572 -64.67 0.0000 14 C6 Cg 3 12 10 8 1.539 112.869 176.15 0.3530 15 H61 H1 E 14 12 10 1.091 110.331 53.32 0.0000 16 H62 H1 E 14 12 10 1.090 110.929 -67.00 0.0000 17 O6 Oh S 14 12 10 1.436 108.896 172.76 -0.7140 18 H6O Ho E 17 14 12 0.962 107.704 58.75 0.4270 19 O5 Os E 12 10 8 1.495 110.300 52.85 -0.4080 20 O4 Oh S 10 8 6 1.445 108.904 64.66 -0.6900 21 H4O Ho E 20 10 8 0.968 108.059 41.88 0.4400 22 O3 Oh S 8 6 4 1.462 113.219 178.26 -0.6650 23 H3O Ho E 22 8 6 0.963 111.335 152.35 0.4150 24 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860 25 H2N H E 24 6 4 1.005 118.080 45.86 0.2540 26 C2N C B 24 6 4 1.336 122.747 -132.36 0.5860 27 CME Cg 3 26 24 6 1.543 116.272 -179.61 0.0560 28 H1M Hc E 27 26 24 1.091 109.419 84.79 0.0000 29 H2M Hc E 27 26 24 1.091 109.982 -155.53 0.0000 30 H3M Hc E 27 26 24 1.092 110.645 -35.56 0.0000 31 O2N O E 26 24 6 1.227 122.402 -0.23 -0.5640 LOOP O5 C1 DONE 0wA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621 5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000 6 O5 Os S 4 3 2 1.469 73.200 -63.39 -0.5415 7 C5 Cg 3 6 4 3 1.495 117.898 -69.31 0.2421 8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000 9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995 10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000 11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000 12 O6 Oh S 9 7 6 1.443 112.033 72.71 -0.6618 13 H6O Ho E 12 9 7 0.961 109.813 82.79 0.3959 14 C4 Cg 3 7 6 4 1.547 111.317 -49.02 0.3213 15 H4 H1 E 14 7 6 1.091 109.249 -73.83 0.0000 16 O4 Oh S 14 7 6 1.458 108.618 168.10 -0.7305 17 H4O Ho E 16 14 7 0.964 111.017 -68.07 0.4424 18 C3 Cg 3 14 7 6 1.550 112.664 46.63 0.2520 19 H3 H1 E 18 14 7 1.091 108.491 68.12 0.0000 20 O3 Oh S 18 14 7 1.455 109.482 -174.62 -0.6987 21 H3O Ho E 20 18 14 0.965 109.543 -47.09 0.4159 22 C2 Cg B 18 14 7 1.549 112.400 -51.61 0.2750 23 H2 H1 E 22 18 14 1.092 108.473 171.95 0.0000 24 N2 Ng B 22 18 14 1.482 111.789 -70.12 -0.4751 25 H2N H E 24 22 18 1.007 117.562 12.93 0.2142 26 C2N C B 24 22 18 1.336 123.787 -162.76 0.5909 27 O2N O E 26 24 22 1.229 122.265 -3.32 -0.5757 28 CME Cg 3 26 24 22 1.539 115.681 177.62 -0.0340 29 H1M Hc E 28 26 24 1.091 109.868 -60.00 0.0000 30 H2M Hc E 28 26 24 1.091 110.252 -179.93 0.0000 31 H3M Hc E 28 26 24 1.091 109.810 60.19 0.0000 LOOP C2 C1 DONE 0wB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870 5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000 6 C2 Cg 3 4 3 2 1.557 139.933 -164.47 0.2940 7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000 8 C3 Cg 3 6 4 3 1.550 108.254 141.57 0.2170 9 H3 H1 E 8 6 4 1.092 107.807 -64.62 0.0000 10 C4 Cg 3 8 6 4 1.551 112.012 54.98 0.2770 11 H4 H1 E 10 8 6 1.092 109.220 68.41 0.0000 12 C5 Cg 3 10 8 6 1.549 111.754 -52.70 0.3210 13 H5 H1 E 12 10 8 1.092 108.891 -67.49 0.0000 14 C6 Cg 3 12 10 8 1.542 112.546 172.10 0.2470 15 H61 H1 E 14 12 10 1.090 110.437 60.16 0.0000 16 H62 H1 E 14 12 10 1.091 110.098 -59.35 0.0000 17 O6 Oh S 14 12 10 1.442 110.379 -179.51 -0.6630 18 H6O Ho E 17 14 12 0.962 108.929 56.35 0.4130 19 O5 Os E 12 10 8 1.498 109.860 50.66 -0.4980 20 O4 Oh S 10 8 6 1.447 108.869 -173.07 -0.7430 21 H4O Ho E 20 10 8 0.968 107.478 -48.60 0.4390 22 O3 Oh S 8 6 4 1.458 111.031 177.66 -0.6580 23 H3O Ho E 22 8 6 0.972 110.221 24.88 0.4130 24 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580 25 H2N H E 24 6 4 1.007 117.378 -30.20 0.2650 26 C2N C B 24 6 4 1.337 123.528 147.74 0.5850 27 CME Cg 3 26 24 6 1.544 116.722 -177.13 0.0560 28 H1M Hc E 27 26 24 1.090 109.199 -104.92 0.0000 29 H2M Hc E 27 26 24 1.091 109.840 135.47 0.0000 30 H3M Hc E 27 26 24 1.092 111.211 15.23 0.0000 31 O2N O E 26 24 6 1.229 121.350 4.57 -0.6000 LOOP O5 C1 DONE 0xA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820 5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000 6 O5 Os S 4 3 2 1.463 72.514 -59.75 -0.5880 7 C5 Cg 3 6 4 3 1.489 117.248 -67.03 0.3350 8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000 9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000 10 C4 Cg 3 7 6 4 1.539 111.025 -53.24 0.2470 11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000 12 O4 Oh S 10 7 6 1.453 108.593 173.08 -0.7200 13 H4O Ho E 12 10 7 0.967 107.931 -176.07 0.4200 14 C3 Cg 3 10 7 6 1.547 110.634 51.97 0.3590 15 H3 H1 E 14 10 7 1.092 109.703 67.85 0.0000 16 O3 Oh S 14 10 7 1.451 108.617 -173.43 -0.7120 17 H3O Ho E 16 14 10 0.966 107.240 165.38 0.4210 18 C2 Cg B 14 10 7 1.543 112.192 -53.97 0.1970 19 H2 H1 E 18 14 10 1.091 108.478 -65.50 0.0000 20 O2 Oh S 18 14 10 1.464 110.541 176.58 -0.6560 21 H2O Ho E 20 18 14 0.967 109.241 -84.85 0.4090 LOOP C2 C1 DONE 0xB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480 5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000 6 C2 Cg 3 4 3 2 1.557 136.744 -161.60 0.4250 7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000 8 C3 Cg 3 6 4 3 1.547 111.138 145.56 0.2280 9 H3 H1 E 8 6 4 1.092 109.005 -68.97 0.0000 10 C4 Cg 3 8 6 4 1.546 111.370 51.34 0.2860 11 H4 H1 E 10 8 6 1.091 109.653 67.94 0.0000 12 C5 Cg 3 10 8 6 1.541 111.571 -53.00 0.3030 13 H5A H1 E 12 10 8 1.092 110.518 -66.11 0.0000 14 H5E H1 E 12 10 8 1.090 110.176 174.39 0.0000 15 O5 Os E 12 10 8 1.482 109.795 54.26 -0.4470 16 O4 Oh S 10 8 6 1.447 109.213 -172.90 -0.7230 17 H4O Ho E 16 10 8 0.966 107.383 -51.48 0.4300 18 O3 Oh S 8 6 4 1.458 109.994 172.23 -0.6820 19 H3O Ho E 18 8 6 0.967 108.169 55.63 0.4270 20 O2 Oh S 6 4 3 1.452 109.095 25.68 -0.6990 21 H2O Ho E 20 6 4 0.965 106.939 -49.61 0.3980 LOOP O5 C1 DONE 0xD INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280 5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000 6 O4 Os S 4 3 2 1.561 69.372 -71.25 -0.5070 7 C4 Cg 3 6 4 3 1.593 113.153 -99.38 0.2370 8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000 9 C5 Cg 3 7 6 4 1.543 109.223 -125.39 0.2800 10 H51 H1 E 9 7 6 1.090 111.083 166.42 0.0000 11 H52 H1 E 9 7 6 1.090 109.111 -74.77 0.0000 12 O5 Oh S 9 7 6 1.441 110.629 44.19 -0.6780 13 H5O Ho E 12 9 7 0.962 107.911 -53.44 0.4220 14 C3 Cg 3 7 6 4 1.626 104.822 0.57 0.3020 15 H3 H1 E 14 7 6 1.091 107.635 106.72 0.0000 16 O3 Oh S 14 7 6 1.447 113.750 -133.56 -0.7140 17 H3O Ho E 16 14 7 0.963 109.068 176.23 0.4260 18 C2 Cg B 14 7 6 1.634 107.473 -10.20 0.2480 19 H2 H1 E 18 14 7 1.091 108.718 -100.07 0.0000 20 O2 Oh S 18 14 7 1.455 111.279 140.82 -0.6570 21 H2O Ho E 20 18 14 0.967 107.830 -104.95 0.4070 LOOP C2 C1 DONE 0xU INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880 5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000 6 C2 Cg 3 4 3 2 1.632 131.215 -128.66 0.3820 7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000 8 C3 Cg 3 6 4 3 1.636 107.260 145.70 0.2240 9 H3 H1 E 8 6 4 1.091 109.533 -107.12 0.0000 10 C4 Cg 3 8 6 4 1.626 107.660 10.02 0.1420 11 H4 H1 E 10 8 6 1.091 108.631 -124.08 0.0000 12 C5 Cg 3 10 8 6 1.541 115.732 113.08 0.2850 13 H51 H1 E 12 10 8 1.090 109.960 60.60 0.0000 14 H52 H1 E 12 10 8 1.091 110.415 -59.03 0.0000 15 O5 Oh S 12 10 8 1.439 110.113 -179.62 -0.6350 16 H5O Ho E 15 12 10 0.959 109.575 -48.10 0.3960 17 O4 Os E 10 8 6 1.585 104.984 -8.09 -0.4270 18 O3 Oh S 8 6 4 1.450 111.002 133.42 -0.6620 19 H3O Ho E 18 8 6 0.964 109.399 70.42 0.4120 20 O2 Oh S 6 4 3 1.454 112.254 24.53 -0.7310 21 H2O Ho E 20 6 4 0.963 109.130 -68.38 0.4200 LOOP O4 C1 DONE 0yA INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680 5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000 6 O5 Os S 4 3 2 1.463 68.163 -62.20 -0.5680 7 C5 Cg 3 6 4 3 1.500 118.098 -74.28 0.2460 8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000 9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280 10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000 11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000 12 O6 Oh S 9 7 6 1.444 111.701 66.58 -0.6880 13 H6O Ho E 12 9 7 0.960 109.460 -179.56 0.4210 14 C4 Cg 3 7 6 4 1.544 111.305 -49.64 0.3220 15 H4 H1 E 14 7 6 1.091 109.775 -72.41 0.0000 16 O4 Oh S 14 7 6 1.448 108.615 168.54 -0.7330 17 H4O Ho E 16 14 7 0.967 106.060 -170.93 0.4490 18 C3 Cg 3 14 7 6 1.546 112.523 49.14 0.1650 19 H3 H1 E 18 14 7 1.092 109.255 68.91 0.0000 20 O3 Oh S 18 14 7 1.457 108.091 -173.19 -0.6300 21 H3O Ho E 20 18 14 0.977 109.893 135.62 0.4130 22 C2 Cg B 18 14 7 1.547 112.211 -51.74 0.2450 23 H2 H1 E 22 18 14 1.092 107.659 -66.49 0.0000 24 N2 Ng B 22 18 14 1.486 111.285 175.94 -0.5520 25 H2N H E 24 22 18 1.009 115.982 -94.71 0.2360 26 C2N C B 24 22 18 1.338 124.714 81.84 0.5880 27 O2N O E 26 24 22 1.228 121.379 -4.88 -0.5790 28 CME Cg 3 26 24 22 1.544 117.110 175.73 0.0630 29 H1M Hc E 28 26 24 1.090 109.379 118.32 0.0000 30 H2M Hc E 28 26 24 1.091 109.387 -122.31 0.0000 31 H3M Hc E 28 26 24 1.092 111.363 -2.06 0.0000 LOOP C2 C1 DONE 0yB INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870 5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000 6 C2 Cg 3 4 3 2 1.566 139.050 -158.60 0.4800 7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000 8 C3 Cg 3 6 4 3 1.555 109.532 140.96 0.1800 9 H3 H1 E 8 6 4 1.092 108.635 -66.15 0.0000 10 C4 Cg 3 8 6 4 1.547 110.847 53.41 0.3020 11 H4 H1 E 10 8 6 1.092 109.529 65.76 0.0000 12 C5 Cg 3 10 8 6 1.542 111.743 -55.82 0.2080 13 H5 H1 E 12 10 8 1.092 109.079 -62.53 0.0000 14 C6 Cg 3 12 10 8 1.540 112.556 176.83 0.2890 15 H61 H1 E 14 12 10 1.090 110.526 60.82 0.0000 16 H62 H1 E 14 12 10 1.091 110.298 -59.01 0.0000 17 O6 Oh S 14 12 10 1.439 109.712 -179.18 -0.6890 18 H6O Ho E 17 14 12 0.961 108.379 54.80 0.4240 19 O5 Os E 12 10 8 1.493 108.679 55.34 -0.4330 20 O4 Oh S 10 8 6 1.444 108.505 -175.54 -0.7160 21 H4O Ho E 20 10 8 0.967 106.789 -52.54 0.4360 22 O3 Oh S 8 6 4 1.462 112.173 174.68 -0.6810 23 H3O Ho E 22 8 6 0.964 110.728 66.33 0.4230 24 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220 25 H2N H E 24 6 4 1.006 117.592 43.53 0.3000 26 C2N C B 24 6 4 1.336 123.143 -126.00 0.6480 27 CME Cg 3 26 24 6 1.542 116.434 175.43 0.0340 28 H1M Hc E 27 26 24 1.091 109.335 82.58 0.0000 29 H2M Hc E 27 26 24 1.091 110.076 -157.79 0.0000 30 H3M Hc E 27 26 24 1.092 110.630 -37.74 0.0000 31 O2N O E 26 24 6 1.226 122.116 -6.61 -0.5760 LOOP O5 C1 DONE 0zA INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980 5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000 6 O5 Os S 4 3 2 1.458 108.055 55.77 -0.5440 7 C5 Cg 3 6 4 3 1.515 118.156 -151.21 0.1870 8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000 9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980 10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870 11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870 12 C4 Cg 3 7 6 4 1.550 110.155 -52.17 0.1930 13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000 14 O4 Oh S 12 7 6 1.452 107.400 168.29 -0.6820 15 H4O Ho E 14 12 7 0.983 105.869 47.72 0.4220 16 C3 Cg 3 12 7 6 1.555 113.190 47.11 0.3000 17 H3 H1 E 16 12 7 1.092 108.970 72.43 0.0000 18 O3 Oh S 16 12 7 1.458 110.360 -168.45 -0.7430 19 H3O Ho E 18 16 12 0.962 107.044 172.72 0.4390 20 C2 Cg B 16 12 7 1.547 112.948 -48.46 0.3260 21 H2 H1 E 20 16 12 1.091 108.371 -69.20 0.0000 22 O2 Oh S 20 16 12 1.467 110.467 172.90 -0.7320 23 H2O Ho E 22 20 16 0.965 107.076 -83.83 0.4060 LOOP C2 C1 DONE 0zB INT 0 CORRECT OMIT DU BEG -0.8060 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510 5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000 6 C2 Cg 3 4 3 2 1.556 136.448 -159.63 0.4110 7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000 8 C3 Cg 3 6 4 3 1.551 111.345 142.85 0.2660 9 H3 H1 E 8 6 4 1.092 108.729 -71.83 0.0000 10 C4 Cg 3 8 6 4 1.552 112.291 48.56 0.2670 11 H4 H1 E 10 8 6 1.092 109.244 70.35 0.0000 12 C5 Cg 3 10 8 6 1.542 113.280 -50.40 0.0750 13 H5 H1 E 12 10 8 1.092 107.974 -63.51 0.0000 14 C6 C B 12 10 8 1.584 111.106 -178.60 0.8930 15 O6A O2 E 14 12 10 1.252 118.262 -140.20 -0.8180 16 O6B O2 E 14 12 10 1.258 117.333 41.17 -0.8180 17 O5 Os E 12 10 8 1.502 108.303 51.87 -0.4130 18 O4 Oh S 10 8 6 1.449 108.610 -171.54 -0.7330 19 H4O Ho E 18 10 8 0.987 105.292 166.54 0.4290 20 O3 Oh S 8 6 4 1.459 111.009 168.82 -0.7010 21 H3O Ho E 20 8 6 0.966 105.666 -171.43 0.4030 22 O2 Oh S 6 4 3 1.458 107.250 21.17 -0.7400 23 H2O Ho E 22 6 4 0.962 106.072 -51.06 0.4220 LOOP O5 C1 DONE 1AA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.780 81.629 -135.54 -0.3880 5 C1 Cg B 4 3 2 1.435 84.266 39.24 0.4480 6 H1 H2 E 5 4 3 1.091 107.546 19.38 0.0000 7 C2 Cg 3 5 4 3 1.547 108.886 -98.71 0.2680 8 H2 H1 E 7 5 4 1.092 109.940 43.79 0.0000 9 C3 Cg 3 7 5 4 1.543 115.075 -80.94 0.3350 10 H3 H1 E 9 7 5 1.091 110.217 -167.01 0.0000 11 C4 Cg 3 9 7 5 1.543 111.532 -44.66 0.2450 12 H4 H1 E 11 9 7 1.091 108.482 -68.58 0.0000 13 C5 Cg 3 11 9 7 1.532 112.944 51.47 0.3790 14 H5E H1 E 13 11 9 1.090 110.447 -175.26 0.0000 15 H5A H1 E 13 11 9 1.091 110.923 64.60 0.0000 16 O5 Os E 13 11 9 1.479 108.551 -55.64 -0.5640 17 O4 Oh S 11 9 7 1.437 110.197 173.67 -0.7480 18 H4O Ho E 17 11 9 0.960 109.412 -61.02 0.4340 19 O3 Oh S 9 7 5 1.441 106.949 75.66 -0.7720 20 H3O Ho E 19 9 7 0.960 109.473 59.41 0.4610 21 O2 Oh S 7 5 4 1.437 106.880 160.06 -0.7350 22 H2O Ho E 21 7 5 0.960 109.480 -177.98 0.4430 LOOP O5 C1 DONE 1AB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.409 99.400 -133.61 -0.3880 5 C1 Cg B 4 3 2 1.417 132.953 -74.50 0.3790 6 H1 H2 E 5 4 3 1.091 108.381 -18.88 0.0000 7 O5 Os S 5 4 3 1.466 106.275 -135.62 -0.5290 8 C5 Cg 3 7 5 4 1.485 114.414 -178.19 0.3560 9 H5E H1 E 8 7 5 1.090 108.916 176.99 0.0000 10 H5A H1 E 8 7 5 1.091 109.188 -65.32 0.0000 11 C4 Cg 3 8 7 5 1.546 110.184 56.30 0.2240 12 H4 H1 E 11 8 7 1.091 108.191 65.24 0.0000 13 O4 Oh S 11 8 7 1.458 110.447 -177.16 -0.7300 14 H4O Ho E 13 11 8 0.964 110.010 -151.69 0.4400 15 C3 Cg 3 11 8 7 1.551 111.087 -54.27 0.2970 16 H3 H1 E 15 11 8 1.091 109.244 175.99 0.0000 17 O3 Oh S 15 11 8 1.454 109.593 -65.87 -0.6680 18 H3O Ho E 17 15 11 0.966 107.607 -47.31 0.4070 19 C2 Cg B 15 11 8 1.543 111.469 54.81 0.3000 20 H2 H1 E 19 15 11 1.091 109.979 -173.48 0.0000 21 O2 Oh S 19 15 11 1.460 108.027 68.57 -0.7000 22 H2O Ho E 21 19 15 0.965 107.206 -167.33 0.4180 LOOP C2 C1 DONE 1AD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.692 100.055 -133.45 -0.3880 5 C1 Cg B 4 3 2 1.417 126.585 -59.91 0.3680 6 H1 H2 E 5 4 3 1.090 110.639 -144.02 0.0000 7 C2 Cg 3 5 4 3 1.632 110.934 91.51 0.2780 8 H2 H1 E 7 5 4 1.092 109.712 1.69 0.0000 9 C3 Cg 3 7 5 4 1.638 107.428 -117.37 0.3700 10 H3 H1 E 9 7 5 1.091 109.719 -115.23 0.0000 11 C4 Cg 3 9 7 5 1.617 107.830 4.89 0.1470 12 H4 H1 E 11 9 7 1.091 109.995 109.41 0.0000 13 C5 Cg 3 11 9 7 1.531 113.111 -128.33 0.3380 14 H52 H1 E 13 11 9 1.090 110.286 -56.49 0.0000 15 H51 H1 E 13 11 9 1.090 110.161 -176.14 0.0000 16 O5 Oh S 13 11 9 1.438 109.271 63.95 -0.6960 17 H5O Ho E 16 13 11 0.963 107.879 70.16 0.3990 18 O4 Os E 11 9 7 1.585 105.385 -6.88 -0.4530 19 O3 Oh S 9 7 5 1.445 110.901 124.99 -0.7030 20 H3O Ho E 19 9 7 0.962 109.189 61.81 0.4040 21 O2 Oh S 7 5 4 1.459 111.670 121.57 -0.6880 22 H2O Ho E 21 7 5 0.962 111.196 52.33 0.4300 LOOP O4 C1 DONE 1AU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.345 99.462 -135.08 -0.3880 5 C1 Cg B 4 3 2 1.422 157.641 -50.72 0.4770 6 H1 H2 E 5 4 3 1.090 111.169 -44.66 0.0000 7 O4 Os S 5 4 3 1.559 105.184 -164.95 -0.5320 8 C4 Cg 3 7 5 4 1.592 113.400 -111.70 0.3270 9 H4 H1 E 8 7 5 1.091 108.372 -116.19 0.0000 10 C5 Cg 3 8 7 5 1.536 109.955 123.86 0.2270 11 H52 H1 E 10 8 7 1.090 110.003 -58.66 0.0000 12 H51 H1 E 10 8 7 1.090 110.273 -178.18 0.0000 13 O5 Oh S 10 8 7 1.440 109.976 61.40 -0.6500 14 H5O Ho E 13 10 8 0.963 109.100 -48.75 0.3970 15 C3 Cg 3 8 7 5 1.623 104.988 1.35 0.2150 16 H3 H1 E 15 8 7 1.091 109.455 110.64 0.0000 17 O3 Oh S 15 8 7 1.449 110.805 -129.50 -0.7280 18 H3O Ho E 17 15 8 0.965 109.557 -174.52 0.4370 19 C2 Cg B 15 8 7 1.636 107.636 -8.35 0.3280 20 H2 H1 E 19 15 8 1.091 108.941 -103.94 0.0000 21 O2 Oh S 19 15 8 1.456 110.454 137.54 -0.7210 22 H2O Ho E 21 19 15 0.967 108.079 -107.31 0.4170 LOOP C2 C1 DONE 1BA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300 5 C3 Cg 3 4 3 2 1.559 106.735 7.30 0.3720 6 H3 H1 E 5 4 3 1.092 108.445 98.55 0.0000 7 C4 Cg 3 5 4 3 1.548 110.877 -143.81 0.3350 8 H4 H1 E 7 5 4 1.092 109.910 62.48 0.0000 9 C5 Cg 3 7 5 4 1.550 109.394 -58.65 0.2240 10 H5 H1 E 9 7 5 1.091 109.416 -64.57 0.0000 11 C6 Cg 3 9 7 5 1.544 111.673 55.39 0.3410 12 H6E H1 E 11 9 7 1.090 110.000 -171.23 0.0000 13 H6A H1 E 11 9 7 1.091 110.069 70.07 0.0000 14 O6 Os E 11 9 7 1.491 111.103 -50.56 -0.5070 15 O5 Oh S 9 7 5 1.455 110.457 176.19 -0.6900 16 H5O Ho E 15 9 7 0.963 109.307 77.89 0.4290 17 O4 Oh S 7 5 4 1.461 109.578 -178.37 -0.7240 18 H4O Ho E 17 7 5 0.964 108.580 -150.69 0.4210 19 O3 Oh S 5 4 3 1.456 111.120 -18.72 -0.7160 20 H3O Ho E 19 5 4 0.964 107.033 -168.33 0.4300 21 C1 Cg M 4 3 2 1.560 35.236 112.47 0.4280 22 H12 H1 E 21 4 3 1.091 110.098 -13.70 0.0000 23 H11 H1 E 21 4 3 1.090 109.813 104.72 0.0000 24 O1 Os M 21 4 3 1.443 112.003 -134.19 -0.4730 LOOP O6 C2 DONE 1BB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270 5 O6 Os S 4 3 2 1.482 134.628 169.57 -0.4770 6 C6 Cg 3 5 4 3 1.485 116.916 144.77 0.3110 7 H6E H1 E 6 5 4 1.090 109.104 176.90 0.0000 8 H6A H1 E 6 5 4 1.091 109.162 -65.19 0.0000 9 C5 Cg 3 6 5 4 1.543 109.751 56.11 0.3400 10 H5 H1 E 9 6 5 1.091 108.952 69.35 0.0000 11 O5 Oh S 9 6 5 1.444 108.793 -172.08 -0.7200 12 H5O Ho E 11 9 6 0.966 106.322 170.63 0.4290 13 C4 Cg 3 9 6 5 1.545 112.662 -52.43 0.1080 14 H4 H1 E 13 9 6 1.092 109.257 -67.90 0.0000 15 O4 Oh S 13 9 6 1.460 109.081 173.87 -0.6750 16 H4O Ho E 15 13 9 0.968 108.634 -176.45 0.4350 17 C3 Cg B 13 9 6 1.550 110.670 52.18 0.4640 18 H3 H1 E 17 13 9 1.092 108.385 68.01 0.0000 19 O3 Oh S 17 13 9 1.453 108.659 -174.74 -0.7300 20 H3O Ho E 19 17 13 0.965 106.403 -179.38 0.4320 21 C1 Cg M 4 3 2 1.563 64.474 -94.95 0.2810 22 H12 H1 E 21 4 3 1.091 110.325 40.86 0.0000 23 H11 H1 E 21 4 3 1.090 110.121 159.57 0.0000 24 O1 Os M 21 4 3 1.444 111.743 -80.01 -0.4250 LOOP C3 C2 DONE 1BD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410 5 C3 Cg 3 4 3 2 1.641 111.508 16.65 0.4400 6 H3 H1 E 5 4 3 1.090 108.442 20.90 0.0000 7 C4 Cg 3 5 4 3 1.636 106.644 136.55 0.2250 8 H4 H1 E 7 5 4 1.091 108.604 98.33 0.0000 9 C5 Cg 3 7 5 4 1.626 107.413 -17.56 0.2710 10 H5 H1 E 9 7 5 1.091 108.621 126.81 0.0000 11 C6 Cg 3 9 7 5 1.543 115.360 -109.99 0.2810 12 H62 H1 E 11 9 7 1.091 109.980 67.38 0.0000 13 H61 H1 E 11 9 7 1.090 110.249 -51.87 0.0000 14 O6 Oh S 11 9 7 1.443 110.886 -171.63 -0.6790 15 H6O Ho E 14 11 9 0.959 110.164 69.40 0.4110 16 O5 Os E 9 7 5 1.587 104.732 10.45 -0.4520 17 O4 Oh S 7 5 4 1.457 112.032 -142.43 -0.7100 18 H4O Ho E 17 7 5 0.965 109.577 -74.18 0.4350 19 O3 Oh S 5 4 3 1.453 115.892 -99.73 -0.7320 20 H3O Ho E 19 5 4 0.959 109.052 121.29 0.4040 21 C1 Cg M 4 3 2 1.546 4.633 -120.67 0.3130 22 H12 H1 E 21 4 3 1.090 110.325 114.28 0.0000 23 H11 H1 E 21 4 3 1.091 109.856 -126.60 0.0000 24 O1 Os M 21 4 3 1.443 110.871 -6.24 -0.4480 LOOP O5 C2 DONE 1BU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470 5 O5 Os S 4 3 2 1.568 142.358 -178.86 -0.3850 6 C5 Cg 3 5 4 3 1.582 113.720 173.86 0.2100 7 H5 H1 E 6 5 4 1.091 108.799 -121.64 0.0000 8 C6 Cg 3 6 5 4 1.541 109.962 118.91 0.3320 9 H62 H1 E 8 6 5 1.090 110.302 -58.44 0.0000 10 H61 H1 E 8 6 5 1.090 109.861 -177.80 0.0000 11 O6 Oh S 8 6 5 1.442 110.695 62.46 -0.7010 12 H6O Ho E 11 8 6 0.959 110.169 52.94 0.4090 13 C4 Cg 3 6 5 4 1.624 104.801 -5.21 0.2830 14 H4 H1 E 13 6 5 1.091 107.561 -105.82 0.0000 15 O4 Oh S 13 6 5 1.453 112.691 135.08 -0.7550 16 H4O Ho E 15 13 6 0.964 109.402 171.47 0.4340 17 C3 Cg B 13 6 5 1.637 107.577 11.31 0.3820 18 H3 H1 E 17 13 6 1.091 108.163 103.95 0.0000 19 O3 Oh S 17 13 6 1.455 110.878 -138.10 -0.7420 20 H3O Ho E 19 17 13 0.963 108.479 -160.63 0.4260 21 C1 Cg M 4 3 2 1.553 52.999 -106.31 0.2990 22 H12 H1 E 21 4 3 1.091 110.361 37.48 0.0000 23 H11 H1 E 21 4 3 1.091 109.538 156.30 0.0000 24 O1 Os M 21 4 3 1.445 111.462 -83.60 -0.4390 LOOP C3 C2 DONE 1CA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450 5 C3 Cg 3 4 3 2 1.575 105.291 0.80 0.2470 6 H3 H1 E 5 4 3 1.092 108.668 -30.87 0.0000 7 C4 Cg 3 5 4 3 1.551 113.411 -152.18 0.3670 8 H4 H1 E 7 5 4 1.091 108.797 -167.01 0.0000 9 C5 Cg 3 7 5 4 1.544 112.343 -46.95 0.1950 10 H5 H1 E 9 7 5 1.091 108.612 -61.32 0.0000 11 C6 Cg 3 9 7 5 1.538 109.577 57.29 0.4370 12 H6E H1 E 11 9 7 1.090 109.936 -178.47 0.0000 13 H6A H1 E 11 9 7 1.091 110.981 62.19 0.0000 14 O6 Os E 11 9 7 1.483 109.646 -58.96 -0.6200 15 O5 Oh S 9 7 5 1.462 110.821 -179.28 -0.7090 16 H5O Ho E 15 9 7 0.964 110.741 154.55 0.4150 17 O4 Oh S 7 5 4 1.450 110.082 76.05 -0.7200 18 H4O Ho E 17 7 5 0.965 107.347 -174.93 0.3940 19 O3 Oh S 5 4 3 1.466 111.567 86.40 -0.6550 20 H3O Ho E 19 5 4 0.965 109.737 -159.40 0.4060 21 C1 Cg M 4 3 2 1.567 41.168 109.23 0.3860 22 H12 H1 E 21 4 3 1.091 109.446 -31.55 0.0000 23 H11 H1 E 21 4 3 1.091 110.132 86.62 0.0000 24 O1 Os M 21 4 3 1.446 112.801 -152.28 -0.4880 LOOP O6 C2 DONE 1CB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440 5 O6 Os S 4 3 2 1.480 134.325 169.15 -0.4600 6 C6 Cg 3 5 4 3 1.482 117.080 144.78 0.3650 7 H6E H1 E 6 5 4 1.090 108.978 178.11 0.0000 8 H6A H1 E 6 5 4 1.091 109.532 -63.87 0.0000 9 C5 Cg 3 6 5 4 1.539 109.460 57.67 0.1950 10 H5 H1 E 9 6 5 1.091 107.780 64.61 0.0000 11 O5 Oh S 9 6 5 1.457 110.279 -178.31 -0.6840 12 H5O Ho E 11 9 6 0.965 109.084 80.29 0.4150 13 C4 Cg 3 9 6 5 1.549 112.024 -54.46 0.3440 14 H4 H1 E 13 9 6 1.091 108.628 172.57 0.0000 15 O4 Oh S 13 9 6 1.459 109.986 -70.35 -0.6980 16 H4O Ho E 15 13 9 0.964 108.929 -144.70 0.4170 17 C3 Cg B 13 9 6 1.551 111.995 51.70 0.3170 18 H3 H1 E 17 13 9 1.091 109.680 -170.27 0.0000 19 O3 Oh S 17 13 9 1.453 106.815 73.47 -0.6970 20 H3O Ho E 19 17 13 0.968 105.774 -153.52 0.4070 21 C1 Cg M 4 3 2 1.563 63.216 -96.90 0.2970 22 H12 H1 E 21 4 3 1.091 110.065 46.56 0.0000 23 H11 H1 E 21 4 3 1.088 110.800 165.58 0.0000 24 O1 Os M 21 4 3 1.447 111.733 -74.36 -0.4620 LOOP C3 C2 DONE 1CD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840 5 C3 Cg 3 4 3 2 1.638 108.658 19.86 0.2820 6 H3 H1 E 5 4 3 1.091 111.006 -104.35 0.0000 7 C4 Cg 3 5 4 3 1.638 106.495 134.41 0.3320 8 H4 H1 E 7 5 4 1.091 111.116 -136.07 0.0000 9 C5 Cg 3 7 5 4 1.621 107.987 -13.87 0.3090 10 H5 H1 E 9 7 5 1.092 110.544 126.66 0.0000 11 C6 Cg 3 9 7 5 1.538 111.506 -110.78 0.2650 12 H62 H1 E 11 9 7 1.091 109.952 69.16 0.0000 13 H61 H1 E 11 9 7 1.090 109.956 -49.70 0.0000 14 O6 Oh S 11 9 7 1.442 111.246 -169.72 -0.6640 15 H6O Ho E 14 11 9 0.960 110.855 67.48 0.4120 16 O5 Os E 9 7 5 1.584 104.926 8.85 -0.4980 17 O4 Oh S 7 5 4 1.453 108.919 105.00 -0.7840 18 H4O Ho E 17 7 5 0.965 110.375 -49.86 0.4440 19 O3 Oh S 5 4 3 1.460 111.917 16.34 -0.7160 20 H3O Ho E 19 5 4 0.965 109.355 -165.56 0.4320 21 C1 Cg M 4 3 2 1.556 9.626 -136.04 0.3700 22 H12 H1 E 21 4 3 1.091 109.651 88.60 0.0000 23 H11 H1 E 21 4 3 1.091 110.210 -152.55 0.0000 24 O1 Os M 21 4 3 1.441 111.328 -31.57 -0.4680 LOOP O5 C2 DONE 1CU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390 5 O5 Os S 4 3 2 1.575 147.962 122.92 -0.4490 6 C5 Cg 3 5 4 3 1.577 112.749 -165.42 0.3100 7 H5 H1 E 6 5 4 1.092 109.362 -121.32 0.0000 8 C6 Cg 3 6 5 4 1.529 108.415 119.08 0.2720 9 H62 H1 E 8 6 5 1.091 110.618 -56.09 0.0000 10 H61 H1 E 8 6 5 1.090 110.315 -176.31 0.0000 11 O6 Oh S 8 6 5 1.433 108.667 64.08 -0.6520 12 H6O Ho E 11 8 6 0.960 109.494 59.32 0.3970 13 C4 Cg 3 6 5 4 1.622 105.503 -1.90 0.2930 14 H4 H1 E 13 6 5 1.092 112.170 133.69 0.0000 15 O4 Oh S 13 6 5 1.434 107.738 -106.47 -0.7630 16 H4O Ho E 15 13 6 0.960 109.480 -62.64 0.4310 17 C3 Cg B 13 6 5 1.624 107.882 8.77 0.3330 18 H3 H1 E 17 13 6 1.091 112.343 -135.61 0.0000 19 O3 Oh S 17 13 6 1.439 105.085 106.18 -0.6910 20 H3O Ho E 19 17 13 0.960 109.418 -177.11 0.4100 21 C1 Cg M 4 3 2 1.537 69.500 -144.67 0.2870 22 H12 H1 E 21 4 3 1.091 110.638 29.87 0.0000 23 H11 H1 E 21 4 3 1.091 109.952 149.16 0.0000 24 O1 Os M 21 4 3 1.437 110.256 -91.14 -0.4170 LOOP C3 C2 DONE 1DA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.458 99.732 -133.78 -0.3880 5 C1 Cg B 4 3 2 1.420 138.710 -56.92 0.3980 6 H1 H2 E 5 4 3 1.090 108.214 -159.17 0.0000 7 C2 Cg 3 5 4 3 1.559 110.542 81.22 0.2460 8 H2 H1 E 7 5 4 1.091 109.379 49.31 0.0000 9 C3 Cg 3 7 5 4 1.549 110.494 -71.00 0.1840 10 H3 H1 E 9 7 5 1.091 107.825 63.24 0.0000 11 C4 Cg 3 9 7 5 1.545 111.008 -55.58 0.3510 12 H4 H1 E 11 9 7 1.091 110.279 -64.03 0.0000 13 C5 Cg 3 11 9 7 1.543 110.247 57.45 0.2750 14 H5E H1 E 13 11 9 1.090 110.034 -173.80 0.0000 15 H5A H1 E 13 11 9 1.092 109.852 67.71 0.0000 16 O5 Os E 13 11 9 1.490 111.684 -52.70 -0.4870 17 O4 Oh S 11 9 7 1.447 108.954 176.38 -0.7110 18 H4O Ho E 17 11 9 0.966 106.152 48.96 0.4220 19 O3 Oh S 9 7 5 1.459 111.377 -179.63 -0.6550 20 H3O Ho E 19 9 7 0.962 110.146 -45.63 0.4170 21 O2 Oh S 7 5 4 1.458 109.515 167.37 -0.6780 22 H2O Ho E 21 7 5 0.962 110.757 -69.34 0.4320 LOOP O5 C1 DONE 1DB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.319 99.865 -133.99 -0.3880 5 C1 Cg B 4 3 2 1.435 104.422 97.39 0.4480 6 H1 H2 E 5 4 3 1.091 107.722 135.93 0.0000 7 O5 Os S 5 4 3 1.480 112.041 16.66 -0.5190 8 C5 Cg 3 7 5 4 1.480 115.118 177.97 0.2750 9 H5E H1 E 8 7 5 1.090 109.162 177.52 0.0000 10 H5A H1 E 8 7 5 1.092 108.688 -64.77 0.0000 11 C4 Cg 3 8 7 5 1.539 110.071 56.42 0.3350 12 H4 H1 E 11 8 7 1.091 109.494 72.24 0.0000 13 O4 Oh S 11 8 7 1.436 107.087 -169.38 -0.7090 14 H4O Ho E 13 11 8 0.960 109.449 -179.03 0.4360 15 C3 Cg 3 11 8 7 1.543 111.797 -50.34 0.2010 16 H3 H1 E 15 11 8 1.092 109.081 -68.08 0.0000 17 O3 Oh S 15 11 8 1.440 109.833 173.78 -0.7010 18 H3O Ho E 17 15 11 0.960 109.476 58.38 0.4320 19 C2 Cg B 15 11 8 1.543 112.432 51.79 0.2260 20 H2 H1 E 19 15 11 1.091 110.138 -175.60 0.0000 21 O2 Oh S 19 15 11 1.446 109.378 64.40 -0.6450 22 H2O Ho E 21 19 15 0.960 109.425 -178.57 0.4150 LOOP C2 C1 DONE 1DD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.369 99.672 -133.85 -0.3880 5 C1 Cg B 4 3 2 1.420 137.686 -61.45 0.3800 6 H1 H1 E 5 4 3 1.090 110.279 -142.65 0.0000 7 C2 Cg 3 5 4 3 1.631 110.229 93.22 0.2290 8 H2 H1 E 7 5 4 1.091 108.957 -12.15 0.0000 9 C3 Cg 3 7 5 4 1.641 106.976 -127.83 0.2980 10 H3 H1 E 9 7 5 1.090 111.055 137.68 0.0000 11 C4 Cg 3 9 7 5 1.624 106.916 15.94 0.1890 12 H4 H1 E 11 9 7 1.091 107.278 99.07 0.0000 13 C5 Cg 3 11 9 7 1.537 117.355 -138.29 0.3050 14 H52 H1 E 13 11 9 1.090 110.349 -57.47 0.0000 15 H51 H1 E 13 11 9 1.090 110.600 62.82 0.0000 16 O5 Oh S 13 11 9 1.438 108.908 -177.29 -0.6970 17 H5O Ho E 16 13 11 0.962 108.141 -56.44 0.4140 18 O4 Os E 11 9 7 1.588 104.960 -15.19 -0.4230 19 O3 Oh S 9 7 5 1.446 108.928 -102.08 -0.6780 20 H3O Ho E 19 9 7 0.969 106.468 -24.27 0.4170 21 O2 Oh S 7 5 4 1.459 112.707 107.38 -0.6510 22 H2O Ho E 21 7 5 0.964 109.258 -67.04 0.4110 LOOP O4 C1 DONE 1DU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.990 98.521 -132.34 -0.3880 5 C1 Cg B 4 3 2 1.419 107.468 -90.23 0.4360 6 H1 H2 E 5 4 3 1.090 110.300 -16.35 0.0000 7 O4 Os S 5 4 3 1.554 107.434 -135.50 -0.5170 8 C4 Cg 3 7 5 4 1.588 113.584 -126.31 0.1350 9 H4 H1 E 8 7 5 1.091 108.738 -120.59 0.0000 10 C5 Cg 3 8 7 5 1.542 110.504 119.77 0.3730 11 H52 H1 E 10 8 7 1.091 110.456 -60.02 0.0000 12 H51 H1 E 10 8 7 1.090 109.887 -179.59 0.0000 13 O5 Oh S 10 8 7 1.439 110.322 60.67 -0.7250 14 H5O Ho E 13 10 8 0.959 109.321 36.11 0.4180 15 C3 Cg 3 8 7 5 1.620 104.668 -4.25 0.3000 16 H3 H1 E 15 8 7 1.091 107.749 -104.45 0.0000 17 O3 Oh S 15 8 7 1.446 112.944 136.27 -0.6420 18 H3O Ho E 17 15 8 0.970 106.239 -112.71 0.4050 19 C2 Cg B 15 8 7 1.642 107.806 11.75 0.2840 20 H2 H1 E 19 15 8 1.089 110.775 -134.90 0.0000 21 O2 Oh S 19 15 8 1.464 109.295 105.12 -0.6800 22 H2O Ho E 21 19 15 0.969 107.470 -139.03 0.4070 LOOP C2 C1 DONE 1EA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.838 81.377 -135.58 -0.3880 5 C1 Cg B 4 3 2 1.434 73.241 41.28 0.4800 6 H1 H2 E 5 4 3 1.091 107.563 14.90 0.0000 7 C2 Cg 3 5 4 3 1.545 109.021 -103.30 0.1790 8 H2 H1 E 7 5 4 1.092 109.966 44.15 0.0000 9 C3 Cg 3 7 5 4 1.541 114.896 -80.54 0.3280 10 H3 H1 E 9 7 5 1.091 110.106 -167.45 0.0000 11 C4 Cg 3 9 7 5 1.544 111.809 -45.05 0.2610 12 H4 H1 E 11 9 7 1.091 108.188 -68.68 0.0000 13 C5 Cg 3 11 9 7 1.541 113.133 51.50 0.3740 14 H5 H1 E 13 11 9 1.092 109.237 63.30 0.0000 15 C6 Cg 3 13 11 9 1.535 114.012 -174.39 0.2590 16 H62 H1 E 15 13 11 1.090 110.525 -56.55 0.0000 17 H61 H1 E 15 13 11 1.091 110.727 63.66 0.0000 18 O6 Oh S 15 13 11 1.434 108.916 -175.95 -0.6630 19 H6O Ho E 18 15 13 0.960 109.470 59.69 0.4060 20 O5 Os E 13 11 9 1.485 107.816 -54.81 -0.5870 21 O4 Oh S 11 9 7 1.439 109.304 174.29 -0.7210 22 H4O Ho E 21 11 9 0.960 109.412 -61.37 0.4150 23 O3 Oh S 9 7 5 1.442 106.866 75.38 -0.7140 24 H3O Ho E 23 9 7 0.960 109.461 58.71 0.4200 25 O2 Oh S 7 5 4 1.437 106.903 160.50 -0.6900 26 H2O Ho E 25 7 5 0.960 109.486 -57.88 0.4470 LOOP O5 C1 DONE 1EB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.389 99.377 -133.72 -0.3880 5 C1 Cg B 4 3 2 1.414 134.081 -74.56 0.4880 6 H1 H2 E 5 4 3 1.090 108.616 -18.76 0.0000 7 O5 Os S 5 4 3 1.468 106.376 -136.04 -0.5320 8 C5 Cg 3 7 5 4 1.501 114.870 -177.67 0.2570 9 H5 H1 E 8 7 5 1.092 108.300 -63.85 0.0000 10 C6 Cg 3 8 7 5 1.541 109.115 178.24 0.2780 11 H62 H1 E 10 8 7 1.091 110.136 -62.32 0.0000 12 H61 H1 E 10 8 7 1.090 110.614 177.96 0.0000 13 O6 Oh S 10 8 7 1.439 109.977 57.72 -0.6770 14 H6O Ho E 13 10 8 0.962 108.042 -50.79 0.4080 15 C4 Cg 3 8 7 5 1.549 109.730 55.16 0.3200 16 H4 H1 E 15 8 7 1.091 108.584 66.50 0.0000 17 O4 Oh S 15 8 7 1.457 110.564 -175.67 -0.7240 18 H4O Ho E 17 15 8 0.964 110.039 -157.92 0.4200 19 C3 Cg 3 15 8 7 1.554 111.196 -53.07 0.3150 20 H3 H1 E 19 15 8 1.091 109.198 176.72 0.0000 21 O3 Oh S 19 15 8 1.454 110.601 -64.53 -0.6810 22 H3O Ho E 21 19 15 0.965 108.397 -50.06 0.4030 23 C2 Cg B 19 15 8 1.540 111.264 55.77 0.1840 24 H2 H1 E 23 19 15 1.091 109.856 -175.33 0.0000 25 O2 Oh S 23 19 15 1.463 107.825 66.95 -0.6970 26 H2O Ho E 25 23 19 0.966 108.305 -175.24 0.4320 LOOP C2 C1 DONE 1FA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.409 100.059 -133.97 -0.3880 5 C1 Cg B 4 3 2 1.431 137.354 -54.12 0.3990 6 H1 H2 E 5 4 3 1.090 108.526 -155.17 0.0000 7 C2 Cg 3 5 4 3 1.566 113.717 83.24 0.4560 8 H2 H1 E 7 5 4 1.091 107.661 177.83 0.0000 9 C3 Cg 3 7 5 4 1.550 109.810 -63.62 0.2280 10 H3 H1 E 9 7 5 1.091 109.256 60.66 0.0000 11 C4 Cg 3 9 7 5 1.549 109.944 -58.35 0.2630 12 H4 H1 E 11 9 7 1.091 108.978 175.77 0.0000 13 C5 Cg 3 11 9 7 1.554 111.442 55.77 0.1870 14 H5 H1 E 13 11 9 1.091 107.126 67.59 0.0000 15 C6 Cg 3 13 11 9 1.531 115.122 -173.47 0.0650 16 H63 Hc E 15 13 11 1.090 111.280 -55.79 0.0000 17 H62 Hc E 15 13 11 1.091 111.136 -175.22 0.0000 18 H61 Hc E 15 13 11 1.091 112.013 64.74 0.0000 19 O5 Os E 13 11 9 1.495 111.650 -50.00 -0.4940 20 O4 Oh S 11 9 7 1.452 109.204 -66.42 -0.7390 21 H4O Ho E 20 11 9 0.966 107.152 -53.10 0.4470 22 O3 Oh S 9 7 5 1.464 112.278 179.81 -0.6930 23 H3O Ho E 22 9 7 0.965 108.720 -78.93 0.4260 24 O2 Oh S 7 5 4 1.463 112.192 60.55 -0.8040 25 H2O Ho E 24 7 5 0.961 108.560 155.60 0.4530 LOOP O5 C1 DONE 1FB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.746 80.766 -135.87 -0.3880 5 C1 Cg B 4 3 2 1.434 152.173 -98.57 0.4180 6 H1 H2 E 5 4 3 1.091 108.664 -46.16 0.0000 7 O5 Os S 5 4 3 1.479 110.637 -165.15 -0.4420 8 C5 Cg 3 7 5 4 1.481 116.331 -175.20 0.1060 9 H5 H1 E 8 7 5 1.092 108.301 -57.82 0.0000 10 C6 Cg 3 8 7 5 1.531 108.182 -173.94 0.0920 11 H63 Hc E 10 8 7 1.091 111.199 179.97 0.0000 12 H62 Hc E 10 8 7 1.091 112.070 -59.60 0.0000 13 H61 Hc E 10 8 7 1.091 111.160 60.55 0.0000 14 C4 Cg 3 8 7 5 1.543 108.818 59.65 0.2290 15 H4 H1 E 14 8 7 1.091 109.875 -177.36 0.0000 16 O4 Oh S 14 8 7 1.445 108.672 63.53 -0.6590 17 H4O Ho E 16 14 8 0.960 109.451 59.43 0.4230 18 C3 Cg 3 14 8 7 1.542 109.625 -56.43 0.2550 19 H3 H1 E 18 14 8 1.092 107.830 -66.01 0.0000 20 O3 Oh S 18 14 8 1.440 109.284 176.95 -0.6760 21 H3O Ho E 20 18 14 0.960 109.419 178.46 0.4270 22 C2 Cg B 18 14 8 1.542 112.898 54.44 0.3460 23 H2 H1 E 22 18 14 1.092 109.972 72.13 0.0000 24 O2 Oh S 22 18 14 1.439 107.835 -168.68 -0.7650 25 H2O Ho E 24 22 18 0.960 109.418 -179.92 0.4400 LOOP C2 C1 DONE 1GA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.425 99.971 -133.80 -0.3880 5 C1 Cg B 4 3 2 1.420 89.221 75.63 0.5090 6 H1 H2 E 5 4 3 1.090 108.849 9.30 0.0000 7 C2 Cg 3 5 4 3 1.556 111.757 -112.07 0.2460 8 H2 H1 E 7 5 4 1.091 107.607 172.19 0.0000 9 C3 Cg 3 7 5 4 1.543 111.424 -69.14 0.2860 10 H3 H1 E 9 7 5 1.092 109.239 69.49 0.0000 11 C4 Cg 3 9 7 5 1.547 112.114 -52.22 0.2540 12 H4 H1 E 11 9 7 1.092 109.454 -66.45 0.0000 13 C5 Cg 3 11 9 7 1.543 111.254 54.50 0.2830 14 H5 H1 E 13 11 9 1.092 108.261 65.38 0.0000 15 C6 Cg 3 13 11 9 1.546 112.538 -174.79 0.2760 16 H62 H1 E 15 13 11 1.090 110.682 -45.93 0.0000 17 H61 H1 E 15 13 11 1.091 110.014 73.31 0.0000 18 O6 Oh S 15 13 11 1.444 110.823 -165.78 -0.6820 19 H6O Ho E 18 15 13 0.960 109.735 78.35 0.4180 20 O5 Os E 13 11 9 1.500 109.539 -52.54 -0.5740 21 O4 Oh S 11 9 7 1.451 108.956 174.69 -0.7100 22 H4O Ho E 21 11 9 0.968 107.227 50.66 0.4360 23 O3 Oh S 9 7 5 1.452 108.531 -172.18 -0.6990 24 H3O Ho E 23 9 7 0.967 107.382 -43.08 0.4270 25 O2 Oh S 7 5 4 1.465 111.499 54.30 -0.7130 26 H2O Ho E 25 7 5 0.967 109.170 -40.31 0.4370 LOOP O5 C1 DONE 1GB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.470 98.844 -133.88 -0.3880 5 C1 Cg B 4 3 2 1.419 135.821 -79.08 0.3840 6 H1 H2 E 5 4 3 1.091 109.169 -14.42 0.0000 7 O5 Os S 5 4 3 1.466 106.609 -132.25 -0.4710 8 C5 Cg 3 7 5 4 1.495 115.297 -177.68 0.2250 9 H5 H1 E 8 7 5 1.092 108.301 -60.31 0.0000 10 C6 Cg 3 8 7 5 1.541 109.304 -178.46 0.2820 11 H62 H1 E 10 8 7 1.091 110.212 -62.75 0.0000 12 H61 H1 E 10 8 7 1.090 110.609 177.45 0.0000 13 O6 Oh S 10 8 7 1.440 109.810 57.27 -0.6880 14 H6O Ho E 13 10 8 0.962 108.265 -53.10 0.4240 15 C4 Cg 3 8 7 5 1.543 108.909 58.25 0.2760 16 H4 H1 E 15 8 7 1.092 109.352 66.92 0.0000 17 O4 Oh S 15 8 7 1.448 108.899 -174.36 -0.7140 18 H4O Ho E 17 15 8 0.967 107.435 172.17 0.4400 19 C3 Cg 3 15 8 7 1.548 111.306 -54.04 0.2840 20 H3 H1 E 19 15 8 1.092 109.104 -67.30 0.0000 21 O3 Oh S 19 15 8 1.454 108.817 174.47 -0.7090 22 H3O Ho E 21 19 15 0.967 107.396 -174.95 0.4320 23 C2 Cg B 19 15 8 1.545 112.113 53.55 0.3100 24 H2 H1 E 23 19 15 1.092 109.394 68.33 0.0000 25 O2 Oh S 23 19 15 1.458 108.975 -172.91 -0.7180 26 H2O Ho E 25 23 19 0.966 108.053 175.61 0.4370 LOOP C2 C1 DONE 1HA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.621 100.310 -133.99 -0.3880 5 C1 Cg B 4 3 2 1.424 131.133 -51.40 0.3940 6 H1 H2 E 5 4 3 1.090 108.212 -155.40 0.0000 7 C2 Cg 3 5 4 3 1.554 110.601 84.94 0.2480 8 H2 H1 E 7 5 4 1.091 109.542 48.67 0.0000 9 C3 Cg 3 7 5 4 1.545 110.654 -71.98 0.2360 10 H3 H1 E 9 7 5 1.092 108.370 66.81 0.0000 11 C4 Cg 3 9 7 5 1.545 112.380 -53.49 0.1870 12 H4 H1 E 11 9 7 1.091 109.690 -65.16 0.0000 13 C5 Cg 3 11 9 7 1.549 110.317 55.89 0.2790 14 H5 H1 E 13 11 9 1.092 108.902 66.22 0.0000 15 C6 Cg 3 13 11 9 1.530 113.869 -172.74 0.0230 16 H63 Hc E 15 13 11 1.090 111.509 -61.06 0.0000 17 H62 Hc E 15 13 11 1.091 111.314 179.43 0.0000 18 H61 Hc E 15 13 11 1.091 111.668 59.25 0.0000 19 O5 Os E 13 11 9 1.486 110.695 -52.49 -0.4610 20 O4 Oh S 11 9 7 1.456 108.727 175.97 -0.6440 21 H4O Ho E 20 11 9 0.963 110.183 165.58 0.4050 22 O3 Oh S 9 7 5 1.452 109.719 -175.81 -0.6490 23 H3O Ho E 22 9 7 0.965 106.808 176.43 0.4250 24 O2 Oh S 7 5 4 1.456 109.547 166.93 -0.6700 25 H2O Ho E 24 7 5 0.965 106.818 171.13 0.4210 LOOP O5 C1 DONE 1HB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 28.026 69.051 -147.70 -0.3880 5 C1 Cg B 4 3 2 1.435 156.411 -93.47 0.3810 6 H1 H2 E 5 4 3 1.091 107.763 148.76 0.0000 7 O5 Os S 5 4 3 1.479 112.052 29.40 -0.4270 8 C5 Cg 3 7 5 4 1.483 115.750 177.76 0.1720 9 H5 H1 E 8 7 5 1.092 107.917 -63.31 0.0000 10 C6M Cg 3 8 7 5 1.530 107.056 -179.94 0.0390 11 H1M Hc E 10 8 7 1.091 111.297 57.52 0.0000 12 H2M Hc E 10 8 7 1.091 111.709 -62.68 0.0000 13 H3M Hc E 10 8 7 1.091 111.441 177.01 0.0000 14 C4 Cg 3 8 7 5 1.547 109.717 55.61 0.3880 15 H4 H1 E 14 8 7 1.092 109.750 73.54 0.0000 16 O4 Oh S 14 8 7 1.438 107.632 -167.68 -0.7280 17 H4O Ho E 16 14 8 0.960 109.440 -59.01 0.4320 18 C3 Cg 3 14 8 7 1.543 112.131 -48.94 0.1820 19 H3 H1 E 18 14 8 1.092 109.049 -68.66 0.0000 20 O3 Oh S 18 14 8 1.440 109.818 173.25 -0.6650 21 H3O Ho E 20 18 14 0.960 109.425 57.73 0.4180 22 C2 Cg B 18 14 8 1.542 112.684 51.25 0.2430 23 H2 H1 E 22 18 14 1.091 110.140 -175.78 0.0000 24 O2 Oh S 22 18 14 1.446 109.350 64.20 -0.6730 25 H2O Ho E 24 22 18 0.960 109.408 59.77 0.4320 LOOP C2 C1 DONE 1JA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140 5 C3 Cg 3 4 3 2 1.561 108.078 4.40 0.2710 6 H3 H1 E 5 4 3 1.091 109.484 -29.48 0.0000 7 C4 Cg 3 5 4 3 1.550 111.054 -149.95 0.2810 8 H4 H1 E 7 5 4 1.091 108.892 64.55 0.0000 9 C5 Cg 3 7 5 4 1.547 111.417 -55.51 0.2730 10 H5 H1 E 9 7 5 1.091 109.946 -64.34 0.0000 11 C6 Cg 3 9 7 5 1.541 110.532 56.44 0.3680 12 H6E H1 E 11 9 7 1.090 110.023 -172.59 0.0000 13 H6A H1 E 11 9 7 1.091 109.951 68.78 0.0000 14 O6 Os E 11 9 7 1.489 111.422 -51.66 -0.5040 15 O5 Oh S 9 7 5 1.453 109.662 176.22 -0.6990 16 H5O Ho E 15 9 7 0.965 108.090 56.66 0.4190 17 O4 Oh S 7 5 4 1.460 109.496 -177.99 -0.6720 18 H4O Ho E 17 7 5 0.964 109.388 -81.32 0.4130 19 O3 Oh S 5 4 3 1.458 110.234 89.20 -0.6540 20 H3O Ho E 19 5 4 0.966 107.634 165.84 0.4250 21 C1 Cg M 4 3 2 1.562 33.359 109.85 0.4100 22 H12 H1 E 21 4 3 1.091 109.780 -32.30 0.0000 23 H11 H1 E 21 4 3 1.091 110.432 86.63 0.0000 24 O1 Os M 21 4 3 1.437 111.258 -152.64 -0.4450 LOOP O6 C2 DONE 1JB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130 5 O6 Os S 4 3 2 1.484 136.913 168.93 -0.5510 6 C6 Cg 3 5 4 3 1.484 117.065 151.25 0.2920 7 H6E H1 E 6 5 4 1.090 109.046 175.12 0.0000 8 H6A H1 E 6 5 4 1.091 108.728 -67.49 0.0000 9 C5 Cg 3 6 5 4 1.547 111.063 53.76 0.3740 10 H5 H1 E 9 6 5 1.091 108.987 71.66 0.0000 11 O5 Oh S 9 6 5 1.455 109.300 -169.66 -0.7290 12 H5O Ho E 11 9 6 0.962 111.074 52.54 0.4260 13 C4 Cg 3 9 6 5 1.550 111.895 -49.63 0.1550 14 H4 H1 E 13 9 6 1.090 108.402 -67.51 0.0000 15 O4 Oh S 13 9 6 1.459 110.935 175.25 -0.6840 16 H4O Ho E 15 13 9 0.968 109.165 45.21 0.4380 17 C3 Cg B 13 9 6 1.551 111.966 52.01 0.3630 18 H3 H1 E 17 13 9 1.091 109.562 -175.27 0.0000 19 O3 Oh S 17 13 9 1.461 107.359 67.28 -0.7250 20 H3O Ho E 19 17 13 0.967 106.570 50.21 0.4320 21 C1 Cg M 4 3 2 1.565 68.430 -90.76 0.2800 22 H12 H1 E 21 4 3 1.091 109.821 33.19 0.0000 23 H11 H1 E 21 4 3 1.089 110.419 151.32 0.0000 24 O1 Os M 21 4 3 1.444 112.820 -88.26 -0.4840 LOOP C3 C2 DONE 1JD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920 5 C3 Cg 3 4 3 2 1.637 108.016 16.20 0.3930 6 H3 H1 E 5 4 3 1.091 112.376 -99.86 0.0000 7 C4 Cg 3 5 4 3 1.642 105.965 138.66 0.2330 8 H4 H1 E 7 5 4 1.090 107.367 95.04 0.0000 9 C5 Cg 3 7 5 4 1.625 107.375 -19.81 0.1900 10 H5 H1 E 9 7 5 1.091 108.940 130.16 0.0000 11 C6 Cg 3 9 7 5 1.542 114.908 -106.54 0.3400 12 H62 H1 E 11 9 7 1.090 110.250 66.65 0.0000 13 H61 H1 E 11 9 7 1.090 110.186 -52.85 0.0000 14 O6 Oh S 11 9 7 1.441 110.517 -172.30 -0.7250 15 H6O Ho E 14 11 9 0.959 110.296 58.30 0.4250 16 O5 Os E 9 7 5 1.585 104.597 13.44 -0.4100 17 O4 Oh S 7 5 4 1.458 113.311 -146.22 -0.6710 18 H4O Ho E 17 7 5 0.965 110.086 -102.72 0.4140 19 O3 Oh S 5 4 3 1.455 110.333 22.08 -0.7480 20 H3O Ho E 19 5 4 0.969 106.278 138.38 0.4460 21 C1 Cg M 4 3 2 1.554 10.224 -140.48 0.3890 22 H12 H1 E 21 4 3 1.091 109.769 84.88 0.0000 23 H11 H1 E 21 4 3 1.091 110.219 -156.13 0.0000 24 O1 Os M 21 4 3 1.438 111.155 -35.41 -0.4680 LOOP O5 C2 DONE 1JU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510 5 O5 Os S 4 3 2 1.569 141.794 -176.42 -0.3890 6 C5 Cg 3 5 4 3 1.585 113.364 166.72 0.1000 7 H5 H1 E 6 5 4 1.089 109.200 -122.53 0.0000 8 C6 Cg 3 6 5 4 1.537 108.498 118.12 0.3490 9 H62 H1 E 8 6 5 1.089 110.316 -54.99 0.0000 10 H61 H1 E 8 6 5 1.090 111.054 -175.70 0.0000 11 O6 Oh S 8 6 5 1.435 108.026 64.54 -0.6840 12 H6O Ho E 11 8 6 0.962 107.568 -44.32 0.4110 13 C4 Cg 3 6 5 4 1.619 104.895 -5.59 0.2840 14 H4 H1 E 13 6 5 1.091 107.554 -103.32 0.0000 15 O4 Oh S 13 6 5 1.442 113.035 137.27 -0.6570 16 H4O Ho E 15 13 6 0.969 105.977 -113.16 0.4100 17 C3 Cg B 13 6 5 1.639 107.844 12.75 0.2230 18 H3 H1 E 17 13 6 1.090 110.597 -136.61 0.0000 19 O3 Oh S 17 13 6 1.460 109.186 103.85 -0.6710 20 H3O Ho E 19 17 13 0.971 106.808 -128.68 0.4160 21 C1 Cg M 4 3 2 1.554 50.342 -105.76 0.3330 22 H12 H1 E 21 4 3 1.090 110.121 39.98 0.0000 23 H11 H1 E 21 4 3 1.090 109.574 158.57 0.0000 24 O1 Os M 21 4 3 1.448 111.622 -81.07 -0.4760 LOOP C3 C2 DONE 1KA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.819 81.542 -135.36 -0.3880 5 C1 Cg B 4 3 2 1.439 73.298 36.96 0.4730 6 H1 H2 E 5 4 3 1.090 108.219 14.26 0.0000 7 C2 Cg 3 5 4 3 1.544 111.317 -105.47 0.2810 8 H2 H1 E 7 5 4 1.091 106.340 169.28 0.0000 9 C3 Cg 3 7 5 4 1.544 115.219 -72.75 0.3540 10 H3 H1 E 9 7 5 1.091 109.846 -171.16 0.0000 11 C4 Cg 3 9 7 5 1.541 111.196 -48.97 0.1960 12 H4 H1 E 11 9 7 1.091 109.723 170.85 0.0000 13 C5 Cg 3 11 9 7 1.549 113.058 48.50 0.3010 14 H5 H1 E 13 11 9 1.092 107.347 66.38 0.0000 15 C6 Cg 3 13 11 9 1.535 114.885 -173.99 0.2870 16 H62 H1 E 15 13 11 1.090 110.246 -52.70 0.0000 17 H61 H1 E 15 13 11 1.091 110.887 67.51 0.0000 18 O6 Oh S 15 13 11 1.434 108.908 -172.15 -0.6910 19 H6O Ho E 18 15 13 0.960 109.471 59.53 0.4220 20 O5 Os E 13 11 9 1.489 109.902 -50.90 -0.5400 21 O4 Oh S 11 9 7 1.440 107.338 -72.13 -0.7120 22 H4O Ho E 21 11 9 0.960 109.466 -178.56 0.4200 23 O3 Oh S 9 7 5 1.440 110.218 69.79 -0.7440 24 H3O Ho E 23 9 7 0.960 109.437 59.70 0.4360 25 O2 Oh S 7 5 4 1.439 110.808 54.09 -0.7160 26 H2O Ho E 25 7 5 0.960 109.409 -63.57 0.4270 LOOP O5 C1 DONE 1KB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.367 99.344 -133.94 -0.3880 5 C1 Cg B 4 3 2 1.416 135.171 -74.75 0.4490 6 H1 H2 E 5 4 3 1.091 109.369 -20.91 0.0000 7 O5 Os S 5 4 3 1.465 105.302 -138.54 -0.5140 8 C5 Cg 3 7 5 4 1.499 115.030 -175.51 0.3030 9 H5 H1 E 8 7 5 1.092 107.891 -62.65 0.0000 10 C6 Cg 3 8 7 5 1.542 109.430 -179.47 0.2590 11 H62 H1 E 10 8 7 1.090 110.533 -58.28 0.0000 12 H61 H1 E 10 8 7 1.090 110.096 -177.88 0.0000 13 O6 Oh S 10 8 7 1.441 110.162 62.18 -0.6700 14 H6O Ho E 13 10 8 0.962 108.273 -57.74 0.4160 15 C4 Cg 3 8 7 5 1.553 110.891 55.18 0.2170 16 H4 H1 E 15 8 7 1.091 108.867 -172.31 0.0000 17 O4 Oh S 15 8 7 1.455 110.952 69.39 -0.7000 18 H4O Ho E 17 15 8 0.964 110.377 163.16 0.4250 19 C3 Cg 3 15 8 7 1.545 111.117 -51.77 0.2530 20 H3 H1 E 19 15 8 1.091 109.391 173.95 0.0000 21 O3 Oh S 19 15 8 1.452 107.992 -68.85 -0.7100 22 H3O Ho E 21 19 15 0.968 107.267 175.38 0.4420 23 C2 Cg B 19 15 8 1.547 111.988 52.75 0.3080 24 H2 H1 E 23 19 15 1.091 108.509 65.85 0.0000 25 O2 Oh S 23 19 15 1.462 109.337 -176.76 -0.7100 26 H2O Ho E 25 23 19 0.965 108.091 178.76 0.4260 LOOP C2 C1 DONE 1LA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.717 81.487 -135.24 -0.3880 5 C1 Cg B 4 3 2 1.440 74.622 36.83 0.4650 6 H1 H2 E 5 4 3 1.090 108.299 15.72 0.0000 7 C2 Cg 3 5 4 3 1.547 111.070 -103.98 0.3390 8 H2 H1 E 7 5 4 1.091 108.000 168.17 0.0000 9 C3 Cg 3 7 5 4 1.541 112.432 -71.54 0.2530 10 H3 H1 E 9 7 5 1.091 109.206 67.02 0.0000 11 C4 Cg 3 9 7 5 1.544 111.714 -53.08 0.2040 12 H4 H1 E 11 9 7 1.091 109.766 175.51 0.0000 13 C5 Cg 3 11 9 7 1.544 110.422 54.48 0.2160 14 H5 H1 E 13 11 9 1.092 107.514 62.91 0.0000 15 C6 Cg 3 13 11 9 1.535 114.934 -177.18 0.3080 16 H62 H1 E 15 13 11 1.090 110.251 -53.15 0.0000 17 H61 H1 E 15 13 11 1.091 110.918 67.08 0.0000 18 O6 Oh S 15 13 11 1.434 108.858 -172.60 -0.6840 19 H6O Ho E 18 15 13 0.960 109.466 59.52 0.4180 20 O5 Os E 13 11 9 1.490 109.289 -54.45 -0.5270 21 O4 Oh S 11 9 7 1.445 109.785 -64.95 -0.6730 22 H4O Ho E 21 11 9 0.960 109.470 179.80 0.4360 23 O3 Oh S 9 7 5 1.440 110.035 -174.48 -0.7010 24 H3O Ho E 23 9 7 0.960 109.438 -57.69 0.4330 25 O2 Oh S 7 5 4 1.440 109.403 51.05 -0.7240 26 H2O Ho E 25 7 5 0.960 109.415 -61.40 0.4310 LOOP O5 C1 DONE 1LB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.424 98.864 -133.86 -0.3880 5 C1 Cg B 4 3 2 1.424 135.906 -78.65 0.3740 6 H1 H2 E 5 4 3 1.091 108.839 -14.67 0.0000 7 O5 Os S 5 4 3 1.469 107.125 -132.06 -0.4020 8 C5 Cg 3 7 5 4 1.495 116.010 -175.20 0.1400 9 H5 H1 E 8 7 5 1.092 108.013 -61.82 0.0000 10 C6 Cg 3 8 7 5 1.539 109.777 -179.32 0.3190 11 H62 H1 E 10 8 7 1.091 110.848 -57.06 0.0000 12 H61 H1 E 10 8 7 1.090 110.337 -177.30 0.0000 13 O6 Oh S 10 8 7 1.437 109.027 63.12 -0.6930 14 H6O Ho E 13 10 8 0.961 107.830 -58.33 0.4190 15 C4 Cg 3 8 7 5 1.545 110.103 55.47 0.2030 16 H4 H1 E 15 8 7 1.091 109.333 -173.92 0.0000 17 O4 Oh S 15 8 7 1.449 109.628 67.34 -0.6640 18 H4O Ho E 17 15 8 0.967 107.158 -172.89 0.4370 19 C3 Cg 3 15 8 7 1.546 110.517 -53.62 0.2590 20 H3 H1 E 19 15 8 1.092 108.098 -64.81 0.0000 21 O3 Oh S 19 15 8 1.455 109.126 178.29 -0.6940 22 H3O Ho E 21 19 15 0.967 107.449 -176.92 0.4330 23 C2 Cg B 19 15 8 1.547 112.254 55.04 0.3570 24 H2 H1 E 23 19 15 1.092 109.716 67.43 0.0000 25 O2 Oh S 23 19 15 1.459 108.705 -173.71 -0.7260 26 H2O Ho E 25 23 19 0.965 107.724 175.67 0.4320 LOOP C2 C1 DONE 1MA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.357 99.982 -133.79 -0.3880 5 C1 Cg B 4 3 2 1.421 94.453 78.36 0.4330 6 H1 H2 E 5 4 3 1.090 108.505 12.22 0.0000 7 C2 Cg 3 5 4 3 1.555 110.488 -107.96 0.2450 8 H2 H1 E 7 5 4 1.091 109.366 49.87 0.0000 9 C3 Cg 3 7 5 4 1.545 110.571 -70.42 0.2520 10 H3 H1 E 9 7 5 1.092 108.528 64.93 0.0000 11 C4 Cg 3 9 7 5 1.549 111.609 -54.79 0.3260 12 H4 H1 E 11 9 7 1.091 109.865 -64.38 0.0000 13 C5 Cg 3 11 9 7 1.546 110.605 57.15 0.2760 14 H5 H1 E 13 11 9 1.092 108.214 65.71 0.0000 15 C6 Cg 3 13 11 9 1.544 112.153 -174.59 0.2660 16 H62 H1 E 15 13 11 1.090 110.579 -46.84 0.0000 17 H61 H1 E 15 13 11 1.091 110.051 72.33 0.0000 18 O6 Oh S 15 13 11 1.444 110.952 -166.67 -0.6880 19 H6O Ho E 18 15 13 0.960 109.923 72.72 0.4220 20 O5 Os E 13 11 9 1.497 110.394 -52.31 -0.5070 21 O4 Oh S 11 9 7 1.452 108.734 176.59 -0.7330 22 H4O Ho E 21 11 9 0.966 107.267 52.91 0.4380 23 O3 Oh S 9 7 5 1.461 109.595 -177.93 -0.6960 24 H3O Ho E 23 9 7 0.964 109.699 -74.81 0.4310 25 O2 Oh S 7 5 4 1.459 110.007 168.22 -0.7170 26 H2O Ho E 25 7 5 0.965 108.621 167.29 0.4460 LOOP O5 C1 DONE 1MB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.345 99.120 -134.15 -0.3880 5 C1 Cg B 4 3 2 1.424 140.128 -73.34 0.3140 6 H1 H2 E 5 4 3 1.091 108.222 -14.79 0.0000 7 O5 Os S 5 4 3 1.470 108.647 -132.68 -0.3930 8 C5 Cg 3 7 5 4 1.498 115.894 -178.03 0.2060 9 H5 H1 E 8 7 5 1.092 107.771 -66.97 0.0000 10 C6 Cg 3 8 7 5 1.539 108.924 175.37 0.2730 11 H62 H1 E 10 8 7 1.091 110.262 -62.70 0.0000 12 H61 H1 E 10 8 7 1.090 110.558 177.52 0.0000 13 O6 Oh S 10 8 7 1.439 109.850 57.44 -0.6800 14 H6O Ho E 13 10 8 0.962 108.414 -55.86 0.4190 15 C4 Cg 3 8 7 5 1.550 110.843 51.87 0.3490 16 H4 H1 E 15 8 7 1.091 109.789 70.94 0.0000 17 O4 Oh S 15 8 7 1.452 108.352 -170.58 -0.7460 18 H4O Ho E 17 15 8 0.963 108.380 -159.72 0.4430 19 C3 Cg 3 15 8 7 1.553 110.419 -50.51 0.2630 20 H3 H1 E 19 15 8 1.092 108.588 -60.79 0.0000 21 O3 Oh S 19 15 8 1.457 111.995 -178.50 -0.6920 22 H3O Ho E 21 19 15 0.962 109.624 81.59 0.4300 23 C2 Cg B 19 15 8 1.547 110.623 57.43 0.2410 24 H2 H1 E 23 19 15 1.091 110.076 180.00 0.0000 25 O2 Oh S 23 19 15 1.459 110.769 59.28 -0.6640 26 H2O Ho E 25 23 19 0.964 107.524 -173.81 0.4310 LOOP C2 C1 DONE 1NA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.820 81.509 -135.62 -0.3880 5 C1 Cg B 4 3 2 1.438 71.813 42.03 0.4780 6 H1 H2 E 5 4 3 1.090 108.224 17.26 0.0000 7 C2 Cg 3 5 4 3 1.545 111.481 -102.50 0.2280 8 H2 H1 E 7 5 4 1.091 106.594 169.97 0.0000 9 C3 Cg 3 7 5 4 1.541 114.996 -71.84 0.3300 10 H3 H1 E 9 7 5 1.091 109.966 -173.17 0.0000 11 C4 Cg 3 9 7 5 1.543 108.602 -52.73 0.1670 12 H4 H1 E 11 9 7 1.091 108.011 -66.83 0.0000 13 C5 Cg 3 11 9 7 1.545 113.659 53.52 0.4040 14 H5 H1 E 13 11 9 1.092 109.059 65.09 0.0000 15 C6 Cg 3 13 11 9 1.535 113.747 -172.97 0.2800 16 H62 H1 E 15 13 11 1.090 110.540 -56.41 0.0000 17 H61 H1 E 15 13 11 1.091 110.668 63.75 0.0000 18 O6 Oh S 15 13 11 1.434 109.011 -175.88 -0.6630 19 H6O Ho E 18 15 13 0.960 109.493 59.88 0.3960 20 O5 Os E 13 11 9 1.489 108.589 -53.11 -0.6110 21 O4 Oh S 11 9 7 1.439 109.206 176.30 -0.7330 22 H4O Ho E 21 11 9 0.960 109.442 -63.39 0.4440 23 O3 Oh S 9 7 5 1.445 109.604 67.22 -0.7140 24 H3O Ho E 23 9 7 0.960 109.446 176.58 0.4410 25 O2 Oh S 7 5 4 1.439 110.664 54.51 -0.6680 26 H2O Ho E 25 7 5 0.960 109.386 -64.68 0.4150 LOOP O5 C1 DONE 1NB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.430 99.240 -133.92 -0.3880 5 C1 Cg B 4 3 2 1.417 135.449 -75.48 0.4220 6 H1 H2 E 5 4 3 1.092 109.300 -18.49 0.0000 7 O5 Os S 5 4 3 1.470 105.962 -136.19 -0.5070 8 C5 Cg 3 7 5 4 1.500 115.850 -174.36 0.1980 9 H5 H1 E 8 7 5 1.091 108.463 -62.31 0.0000 10 C6 Cg 3 8 7 5 1.541 109.542 179.74 0.3130 11 H62 H1 E 10 8 7 1.090 110.338 -62.12 0.0000 12 H61 H1 E 10 8 7 1.090 110.689 177.70 0.0000 13 O6 Oh S 10 8 7 1.438 109.178 57.79 -0.6890 14 H6O Ho E 13 10 8 0.962 107.694 -47.58 0.4180 15 C4 Cg 3 8 7 5 1.547 108.536 56.26 0.2860 16 H4 H1 E 15 8 7 1.091 108.641 63.49 0.0000 17 O4 Oh S 15 8 7 1.447 110.674 -178.31 -0.7070 18 H4O Ho E 17 15 8 0.966 108.053 84.25 0.4300 19 C3 Cg 3 15 8 7 1.546 111.303 -56.16 0.2340 20 H3 H1 E 19 15 8 1.092 109.685 177.82 0.0000 21 O3 Oh S 19 15 8 1.458 109.719 -63.09 -0.6150 22 H3O Ho E 21 19 15 0.967 107.516 169.04 0.3890 23 C2 Cg B 19 15 8 1.544 109.920 57.50 0.3010 24 H2 H1 E 23 19 15 1.093 108.226 64.66 0.0000 25 O2 Oh S 23 19 15 1.458 109.185 -178.16 -0.7030 26 H2O Ho E 25 23 19 0.966 108.382 -178.62 0.4240 LOOP C2 C1 DONE 1OA INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.348 99.748 -134.10 -0.3880 5 C1 Cg B 4 3 2 1.432 90.055 78.90 0.3050 6 H1 H2 E 5 4 3 1.090 108.553 9.27 0.0000 7 C2 Cg 3 5 4 3 1.563 112.134 -111.46 0.4130 8 H2 H1 E 7 5 4 1.091 108.988 168.23 0.0000 9 C3 Cg 3 7 5 4 1.548 110.939 -71.32 0.2510 10 H3 H1 E 9 7 5 1.092 108.206 62.18 0.0000 11 C4 Cg 3 9 7 5 1.551 110.284 -55.76 0.2670 12 H4 H1 E 11 9 7 1.091 109.469 -178.62 0.0000 13 C5 Cg 3 11 9 7 1.540 109.735 61.11 0.0540 14 H5 H1 E 13 11 9 1.092 108.800 60.69 0.0000 15 C6 C B 13 11 9 1.566 106.527 176.50 0.8960 16 O6A O2 E 15 13 11 1.252 116.529 -102.85 -0.8220 17 O6B O2 E 15 13 11 1.255 117.285 72.11 -0.8220 18 O5 Os E 13 11 9 1.515 109.060 -56.67 -0.4240 19 O4 Oh S 11 9 7 1.455 111.597 -58.02 -0.7040 20 H4O Ho E 19 11 9 0.981 106.629 154.94 0.4290 21 O3 Oh S 9 7 5 1.460 111.666 179.27 -0.7250 22 H3O Ho E 21 9 7 0.964 107.278 -33.23 0.4160 23 O2 Oh S 7 5 4 1.464 109.237 50.38 -0.7710 24 H2O Ho E 23 7 5 0.966 105.614 -34.97 0.4310 LOOP O5 C1 DONE 1OB INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.334 99.049 -133.90 -0.3880 5 C1 Cg B 4 3 2 1.422 135.855 -74.67 0.3010 6 H1 H2 E 5 4 3 1.091 108.944 -17.71 0.0000 7 O5 Os S 5 4 3 1.462 105.596 -134.27 -0.4140 8 C5 Cg 3 7 5 4 1.506 116.408 -174.15 0.0490 9 H5 H1 E 8 7 5 1.092 106.456 -59.37 0.0000 10 C6 C B 8 7 5 1.574 118.473 -176.63 0.8380 11 O6B O2 E 10 8 7 1.256 116.247 -176.00 -0.7940 12 O6A O2 E 10 8 7 1.254 118.706 9.49 -0.7940 13 C4 Cg 3 8 7 5 1.538 109.239 56.00 0.2600 14 H4 H1 E 13 8 7 1.091 109.884 -175.27 0.0000 15 O4 Oh S 13 8 7 1.450 109.662 65.53 -0.6610 16 H4O Ho E 15 13 8 0.961 107.547 -173.76 0.4020 17 C3 Cg 3 13 8 7 1.548 110.856 -55.41 0.2590 18 H3 H1 E 17 13 8 1.092 108.063 -63.15 0.0000 19 O3 Oh S 17 13 8 1.466 108.667 -179.51 -0.7080 20 H3O Ho E 19 17 13 0.961 109.065 79.16 0.4040 21 C2 Cg B 17 13 8 1.553 111.733 55.81 0.3830 22 H2 H1 E 21 17 13 1.091 109.497 69.57 0.0000 23 O2 Oh S 21 17 13 1.460 110.302 -170.66 -0.7320 24 H2O Ho E 23 21 17 0.962 106.473 175.50 0.4010 LOOP C2 C1 DONE 1PA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170 5 C3 Cg 3 4 3 2 1.558 99.850 -27.83 0.1500 6 H3 H1 E 5 4 3 1.091 107.175 74.35 0.0000 7 C4 Cg 3 5 4 3 1.543 115.259 -167.84 0.3940 8 H4 H1 E 7 5 4 1.091 110.047 -172.55 0.0000 9 C5 Cg 3 7 5 4 1.541 108.511 -52.13 0.1530 10 H5 H1 E 9 7 5 1.091 108.437 -65.69 0.0000 11 C6 Cg 3 9 7 5 1.536 113.177 54.52 0.3930 12 H6E H1 E 11 9 7 1.090 110.388 -174.85 0.0000 13 H6A H1 E 11 9 7 1.091 110.767 65.28 0.0000 14 O6 Os E 11 9 7 1.482 109.077 -55.00 -0.5980 15 O5 Oh S 9 7 5 1.437 110.081 176.63 -0.6930 16 H5O Ho E 15 9 7 0.960 109.495 56.94 0.4280 17 O4 Oh S 7 5 4 1.445 109.700 67.72 -0.7020 18 H4O Ho E 17 7 5 0.960 109.435 60.08 0.4320 19 O3 Oh S 5 4 3 1.441 111.232 -41.58 -0.6650 20 H3O Ho E 19 5 4 0.960 109.411 -63.14 0.4090 21 C1 Cg M 4 3 2 1.541 26.010 100.53 0.3270 22 H12 H1 E 21 4 3 1.091 110.581 1.25 0.0000 23 H11 H1 E 21 4 3 1.091 110.426 120.84 0.0000 24 O1 Os M 21 4 3 1.436 110.176 -119.10 -0.4450 LOOP O6 C2 DONE 1PB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070 5 O6 Os S 4 3 2 1.479 135.293 168.58 -0.5400 6 C6 Cg 3 5 4 3 1.483 117.190 146.77 0.3640 7 H6E H1 E 6 5 4 1.090 109.004 179.12 0.0000 8 H6A H1 E 6 5 4 1.091 109.618 -62.69 0.0000 9 C5 Cg 3 6 5 4 1.540 108.996 58.93 0.1880 10 H5 H1 E 9 6 5 1.091 108.080 63.62 0.0000 11 O5 Oh S 9 6 5 1.454 110.659 -178.62 -0.7050 12 H5O Ho E 11 9 6 0.967 108.400 85.69 0.4330 13 C4 Cg 3 9 6 5 1.546 111.137 -55.37 0.3280 14 H4 H1 E 13 9 6 1.091 109.097 173.70 0.0000 15 O4 Oh S 13 9 6 1.453 109.563 -68.11 -0.6980 16 H4O Ho E 15 13 9 0.967 106.113 178.47 0.4270 17 C3 Cg B 13 9 6 1.548 111.648 53.12 0.1800 18 H3 H1 E 17 13 9 1.092 106.115 68.15 0.0000 19 O3 Oh S 17 13 9 1.462 110.163 -176.47 -0.6810 20 H3O Ho E 19 17 13 0.967 108.335 -167.48 0.4220 21 C1 Cg M 4 3 2 1.572 62.826 -96.98 0.3790 22 H12 H1 E 21 4 3 1.091 110.003 43.55 0.0000 23 H11 H1 E 21 4 3 1.088 110.382 162.11 0.0000 24 O1 Os M 21 4 3 1.452 112.720 -77.60 -0.5040 LOOP C3 C2 DONE 1PD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240 5 C3 Cg 3 4 3 2 1.632 94.644 -17.33 0.3340 6 H3 H1 E 5 4 3 1.090 107.716 7.04 0.0000 7 C4 Cg 3 5 4 3 1.629 107.129 121.35 0.2820 8 H4 H1 E 7 5 4 1.091 111.828 -141.87 0.0000 9 C5 Cg 3 7 5 4 1.626 106.867 -18.01 0.1940 10 H5 H1 E 9 7 5 1.092 111.109 129.12 0.0000 11 C6 Cg 3 9 7 5 1.529 112.801 -107.47 0.2910 12 H62 H1 E 11 9 7 1.091 110.695 60.83 0.0000 13 H61 H1 E 11 9 7 1.090 110.281 -59.44 0.0000 14 O6 Oh S 11 9 7 1.433 108.604 -178.96 -0.6950 15 H6O Ho E 14 11 9 0.960 109.454 59.02 0.4110 16 O5 Os E 9 7 5 1.580 105.532 10.85 -0.4530 17 O4 Oh S 7 5 4 1.437 109.593 96.29 -0.6830 18 H4O Ho E 17 7 5 0.960 109.464 62.85 0.4210 19 O3 Oh S 5 4 3 1.441 114.290 -111.78 -0.6610 20 H3O Ho E 19 5 4 0.960 109.502 178.91 0.4150 21 C1 Cg M 4 3 2 1.533 28.030 -160.44 0.2860 22 H12 H1 E 21 4 3 1.091 110.436 100.46 0.0000 23 H11 H1 E 21 4 3 1.091 110.553 -139.51 0.0000 24 O1 Os M 21 4 3 1.434 109.386 -19.62 -0.4660 LOOP O5 C2 DONE 1PU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880 5 O5 Os S 4 3 2 1.576 153.289 123.56 -0.4800 6 C5 Cg 3 5 4 3 1.576 112.884 -156.65 0.3690 7 H5 H1 E 6 5 4 1.092 109.275 -128.49 0.0000 8 C6 Cg 3 6 5 4 1.529 108.414 112.31 0.2150 9 H62 H1 E 8 6 5 1.091 110.659 -56.54 0.0000 10 H61 H1 E 8 6 5 1.090 110.301 -176.80 0.0000 11 O6 Oh S 8 6 5 1.433 108.649 63.62 -0.6780 12 H6O Ho E 11 8 6 0.960 109.500 58.51 0.4210 13 C4 Cg 3 6 5 4 1.623 105.494 -8.76 0.1920 14 H4 H1 E 13 6 5 1.091 112.074 133.66 0.0000 15 O4 Oh S 13 6 5 1.438 106.122 -107.17 -0.7110 16 H4O Ho E 15 13 6 0.960 109.445 -63.95 0.4380 17 C3 Cg B 13 6 5 1.631 107.338 11.41 0.3340 18 H3 H1 E 17 13 6 1.091 107.070 107.51 0.0000 19 O3 Oh S 17 13 6 1.441 112.809 -134.73 -0.7140 20 H3O Ho E 19 17 13 0.960 109.493 -55.92 0.4240 21 C1 Cg M 4 3 2 1.541 66.606 -151.42 0.3650 22 H12 H1 E 21 4 3 1.091 110.660 23.30 0.0000 23 H11 H1 E 21 4 3 1.090 109.918 142.71 0.0000 24 O1 Os M 21 4 3 1.437 110.203 -97.59 -0.4630 LOOP C3 C2 DONE 1QA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.462 100.074 -134.05 -0.3880 5 C1 Cg B 4 3 2 1.425 138.026 -49.52 0.4650 6 H1 H1 E 5 4 3 1.090 108.528 -158.44 0.0000 7 C2 Cg 3 5 4 3 1.556 112.067 80.26 0.2810 8 H2 H1 E 7 5 4 1.091 107.701 173.61 0.0000 9 C3 Cg 3 7 5 4 1.550 110.755 -68.05 0.3120 10 H3 H1 E 9 7 5 1.092 109.248 69.54 0.0000 11 C4 Cg 3 9 7 5 1.550 112.115 -52.01 0.2080 12 H4 H1 E 11 9 7 1.092 109.113 -67.92 0.0000 13 C5 Cg 3 11 9 7 1.546 111.848 52.85 0.2340 14 H5 H1 E 13 11 9 1.092 108.966 67.39 0.0000 15 C6 Cg 3 13 11 9 1.531 114.081 -171.50 0.0600 16 H63 Hc E 15 13 11 1.091 111.703 58.97 0.0000 17 H62 Hc E 15 13 11 1.091 111.508 -61.39 0.0000 18 H61 Hc E 15 13 11 1.091 111.279 179.14 0.0000 19 O5 Os E 13 11 9 1.487 110.112 -51.22 -0.5590 20 O4 Oh S 11 9 7 1.456 109.169 173.44 -0.6640 21 H4O Ho E 20 11 9 0.963 110.329 161.22 0.4030 22 O3 Oh S 9 7 5 1.451 110.060 -171.22 -0.6970 23 H3O Ho E 22 9 7 0.963 107.525 178.74 0.4240 24 O2 Oh S 7 5 4 1.464 109.956 56.57 -0.6950 25 H2O Ho E 24 7 5 0.963 109.360 -58.41 0.4220 LOOP O5 C1 DONE 1QB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.458 99.335 -133.83 -0.3880 5 C1 Cg B 4 3 2 1.414 139.337 -73.46 0.3910 6 H1 H1 E 5 4 3 1.091 109.566 -22.21 0.0000 7 O5 Os S 5 4 3 1.461 105.352 -140.00 -0.5350 8 C5 Cg 3 7 5 4 1.486 115.375 -178.71 0.2710 9 H5 H1 E 8 7 5 1.092 108.323 -60.93 0.0000 10 C6 Cg 3 8 7 5 1.530 107.192 -177.83 0.0480 11 H63 Hc E 10 8 7 1.091 111.710 -62.84 0.0000 12 H62 Hc E 10 8 7 1.091 111.509 176.79 0.0000 13 H61 Hc E 10 8 7 1.091 111.262 57.32 0.0000 14 C4 Cg 3 8 7 5 1.548 109.336 58.05 0.2500 15 H4 H1 E 14 8 7 1.092 109.232 68.58 0.0000 16 O4 Oh S 14 8 7 1.451 108.892 -172.72 -0.7130 17 H4O Ho E 16 14 8 0.966 107.748 175.11 0.4210 18 C3 Cg 3 14 8 7 1.549 111.410 -52.29 0.3000 19 H3 H1 E 18 14 8 1.092 108.988 -68.86 0.0000 20 O3 Oh S 18 14 8 1.454 108.773 173.08 -0.6890 21 H3O Ho E 20 18 14 0.966 107.391 -175.24 0.4200 22 C2 Cg B 18 14 8 1.546 112.577 52.00 0.3230 23 H2 H1 E 22 18 14 1.092 109.469 68.14 0.0000 24 O2 Oh S 22 18 14 1.460 109.130 -172.95 -0.7130 25 H2O Ho E 24 22 18 0.966 107.987 174.66 0.4200 LOOP C2 C1 DONE 1RA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.685 81.484 -135.69 -0.3880 5 C1 Cg B 4 3 2 1.438 84.582 42.83 0.4880 6 H1 H2 E 5 4 3 1.090 108.216 22.65 0.0000 7 C2 Cg 3 5 4 3 1.547 111.339 -96.99 0.2530 8 H2 H1 E 7 5 4 1.091 106.529 169.53 0.0000 9 C3 Cg 3 7 5 4 1.542 115.155 -72.28 0.3450 10 H3 H1 E 9 7 5 1.091 110.101 -172.87 0.0000 11 C4 Cg 3 9 7 5 1.542 108.334 -52.41 0.1220 12 H4 H1 E 11 9 7 1.091 108.377 -66.41 0.0000 13 C5 Cg 3 11 9 7 1.537 113.340 53.79 0.3770 14 H5E H1 E 13 11 9 1.090 110.366 -174.24 0.0000 15 H5A H1 E 13 11 9 1.091 110.701 65.98 0.0000 16 O5 Os E 13 11 9 1.483 109.246 -54.31 -0.5610 17 O4 Oh S 11 9 7 1.437 110.093 175.95 -0.6630 18 H4O Ho E 17 11 9 0.960 109.433 -63.23 0.4190 19 O3 Oh S 9 7 5 1.445 109.646 67.35 -0.7370 20 H3O Ho E 19 9 7 0.960 109.441 178.00 0.4430 21 O2 Oh S 7 5 4 1.439 110.676 54.17 -0.7110 22 H2O Ho E 21 7 5 0.960 109.367 -64.82 0.4190 LOOP O5 C1 DONE 1RB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.433 99.146 -133.49 -0.3880 5 C1 Cg B 4 3 2 1.414 130.309 -76.52 0.4810 6 H1 H2 E 5 4 3 1.090 109.545 -16.25 0.0000 7 O5 Os S 5 4 3 1.470 104.002 -133.63 -0.5760 8 C5 Cg 3 7 5 4 1.488 115.378 -174.49 0.3350 9 H5E H1 E 8 7 5 1.090 108.921 174.98 0.0000 10 H5A H1 E 8 7 5 1.091 109.218 -67.32 0.0000 11 C4 Cg 3 8 7 5 1.549 109.926 54.38 0.2360 12 H4 H1 E 11 8 7 1.091 108.456 64.34 0.0000 13 O4 Oh S 11 8 7 1.453 110.505 -177.82 -0.6950 14 H4O Ho E 13 11 8 0.963 110.348 -165.05 0.4110 15 C3 Cg 3 11 8 7 1.548 110.878 -55.20 0.2030 16 H3 H1 E 15 11 8 1.091 109.669 178.81 0.0000 17 O3 Oh S 15 11 8 1.460 108.674 -62.27 -0.6960 18 H3O Ho E 17 15 11 0.965 108.989 -56.44 0.4280 19 C2 Cg B 15 11 8 1.550 108.635 58.91 0.3850 20 H2 H1 E 19 15 11 1.092 108.039 58.75 0.0000 21 O2 Oh S 19 15 11 1.459 111.068 175.70 -0.7320 22 H2O Ho E 21 19 15 0.963 108.588 169.06 0.4140 LOOP C2 C1 DONE 1RD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.348 100.277 -134.34 -0.3880 5 C1 Cg B 4 3 2 1.418 61.015 70.12 0.4450 6 H1 H2 E 5 4 3 1.090 111.448 1.99 0.0000 7 C2 Cg 3 5 4 3 1.639 112.180 -125.61 0.3180 8 H2 H1 E 7 5 4 1.090 106.253 154.02 0.0000 9 C3 Cg 3 7 5 4 1.641 106.653 -92.55 0.2750 10 H3 H1 E 9 7 5 1.090 110.829 -140.13 0.0000 11 C4 Cg 3 9 7 5 1.627 107.074 -17.90 0.3270 12 H4 H1 E 11 9 7 1.091 110.687 126.58 0.0000 13 C5 Cg 3 11 9 7 1.540 111.841 -110.98 0.1950 14 H52 H1 E 13 11 9 1.090 109.854 62.87 0.0000 15 H51 H1 E 13 11 9 1.090 109.790 -55.87 0.0000 16 O5 Oh S 13 11 9 1.441 111.480 -176.24 -0.6670 17 H5O Ho E 16 13 11 0.961 110.927 63.80 0.4080 18 O4 Os E 11 9 7 1.590 104.801 9.06 -0.5130 19 O3 Oh S 9 7 5 1.452 110.052 99.39 -0.7390 20 H3O Ho E 19 9 7 0.969 108.678 -13.86 0.4380 21 O2 Oh S 7 5 4 1.461 116.185 35.20 -0.7090 22 H2O Ho E 21 7 5 0.962 110.320 178.71 0.4160 LOOP O4 C1 DONE 1RU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.325 99.458 -135.06 -0.3880 5 C1 Cg B 4 3 2 1.420 156.740 -57.10 0.3780 6 H1 H1 E 5 4 3 1.091 110.180 -37.41 0.0000 7 O4 Os S 5 4 3 1.557 107.417 -157.99 -0.4240 8 C4 Cg 3 7 5 4 1.587 113.195 -111.98 0.1020 9 H4 H1 E 8 7 5 1.091 108.133 -112.74 0.0000 10 C5 Cg 3 8 7 5 1.534 111.781 126.34 0.3380 11 H52 H1 E 10 8 7 1.090 110.006 -172.13 0.0000 12 H51 H1 E 10 8 7 1.090 110.394 -52.52 0.0000 13 O5 Oh S 10 8 7 1.436 109.887 68.16 -0.6920 14 H5O Ho E 13 10 8 0.959 109.586 178.63 0.4150 15 C3 Cg 3 8 7 5 1.616 104.949 4.12 0.2890 16 H3 H1 E 15 8 7 1.091 109.320 105.86 0.0000 17 O3 Oh S 15 8 7 1.443 110.518 -134.81 -0.6830 18 H3O Ho E 17 15 8 0.968 106.484 98.07 0.4280 19 C2 Cg B 15 8 7 1.643 107.735 -11.40 0.2930 20 H2 H1 E 19 15 8 1.091 110.396 135.88 0.0000 21 O2 Oh S 19 15 8 1.462 110.605 -103.78 -0.6700 22 H2O Ho E 21 19 15 0.963 109.628 -173.50 0.4200 LOOP C2 C1 DONE 1TA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.669 81.466 -135.27 -0.3880 5 C1 Cg B 4 3 2 1.435 76.394 38.97 0.4560 6 H1 H2 E 5 4 3 1.091 107.643 16.58 0.0000 7 C2 Cg 3 5 4 3 1.542 108.750 -101.71 0.2450 8 H2 H1 E 7 5 4 1.091 110.129 44.49 0.0000 9 C3 Cg 3 7 5 4 1.545 112.024 -77.92 0.1240 10 H3 H1 E 9 7 5 1.091 106.708 69.61 0.0000 11 C4 Cg 3 9 7 5 1.543 114.910 -48.48 0.4340 12 H4 H1 E 11 9 7 1.091 109.633 172.69 0.0000 13 C5 Cg 3 11 9 7 1.544 109.739 52.34 0.1570 14 H5 H1 E 13 11 9 1.092 107.463 63.77 0.0000 15 C6 Cg 3 13 11 9 1.535 114.896 -176.35 0.3040 16 H62 H1 E 15 13 11 1.090 110.263 -52.86 0.0000 17 H61 H1 E 15 13 11 1.091 110.896 67.37 0.0000 18 O6 Oh S 15 13 11 1.434 108.863 -172.31 -0.6690 19 H6O Ho E 18 15 13 0.960 109.462 59.57 0.4010 20 O5 Os E 13 11 9 1.488 109.541 -53.52 -0.4800 21 O4 Oh S 11 9 7 1.443 110.261 -67.82 -0.7310 22 H4O Ho E 21 11 9 0.960 109.459 -179.88 0.4170 23 O3 Oh S 9 7 5 1.439 110.774 -174.86 -0.6870 24 H3O Ho E 23 9 7 0.960 109.479 -54.69 0.4420 25 O2 Oh S 7 5 4 1.440 106.453 161.38 -0.6550 26 H2O Ho E 25 7 5 0.960 109.490 -58.28 0.4360 LOOP O5 C1 DONE 1TB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 25.725 80.629 -135.86 -0.3880 5 C1 Cg B 4 3 2 1.435 149.442 -101.87 0.3060 6 H1 H2 E 5 4 3 1.091 107.524 -40.86 0.0000 7 O5 Os S 5 4 3 1.481 112.148 -159.74 -0.3540 8 C5 Cg 3 7 5 4 1.487 114.855 176.31 0.0310 9 H5 H1 E 8 7 5 1.092 108.117 -56.98 0.0000 10 C6 Cg 3 8 7 5 1.535 108.872 -173.68 0.3490 11 H62 H1 E 10 8 7 1.091 110.886 -56.26 0.0000 12 H61 H1 E 10 8 7 1.090 110.278 -176.51 0.0000 13 O6 Oh S 10 8 7 1.434 108.837 64.00 -0.6660 14 H6O Ho E 13 10 8 0.960 109.430 -59.34 0.4060 15 C4 Cg 3 8 7 5 1.547 109.426 59.69 0.3140 16 H4 H1 E 15 8 7 1.091 109.475 -172.25 0.0000 17 O4 Oh S 15 8 7 1.443 108.917 69.31 -0.6260 18 H4O Ho E 17 15 8 0.960 109.455 59.28 0.4130 19 C3 Cg 3 15 8 7 1.547 110.218 -51.66 0.1740 20 H3 H1 E 19 15 8 1.091 106.762 -67.21 0.0000 21 O3 Oh S 19 15 8 1.439 110.707 177.22 -0.6780 22 H3O Ho E 21 19 15 0.960 109.373 -64.34 0.4250 23 C2 Cg B 19 15 8 1.545 114.890 50.96 0.3400 24 H2 H1 E 23 19 15 1.091 109.957 -172.30 0.0000 25 O2 Oh S 23 19 15 1.444 109.766 67.90 -0.6370 26 H2O Ho E 25 23 19 0.960 109.413 -178.32 0.3970 LOOP C2 C1 DONE 1TV INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.523 100.444 -134.10 -0.3880 5 C1 Cg B 4 3 2 1.419 136.055 -46.00 0.4700 6 H1 H1 E 5 4 3 1.090 108.099 -163.40 0.0000 7 C2 Cg 3 5 4 3 1.563 110.235 76.38 0.1910 8 H2 H1 E 7 5 4 1.091 108.990 47.51 0.0000 9 C3 Cg 3 7 5 4 1.535 113.371 -74.04 -0.0140 10 H32 Hc E 9 7 5 1.093 108.757 71.70 0.0000 11 H31 Hc E 9 7 5 1.093 110.603 -172.97 0.0000 12 C4 Cg 3 9 7 5 1.535 111.168 -49.67 0.3020 13 H4 H1 E 12 9 7 1.091 109.450 -67.40 0.0000 14 C5 Cg 3 12 9 7 1.553 112.112 54.29 0.3010 15 H5 H1 E 14 12 9 1.092 108.905 64.83 0.0000 16 C6 Cg 3 14 12 9 1.530 113.975 -174.02 0.0070 17 H63 Hc E 16 14 12 1.091 111.485 -61.33 0.0000 18 H62 Hc E 16 14 12 1.091 111.681 59.00 0.0000 19 H61 Hc E 16 14 12 1.091 111.306 179.18 0.0000 20 O5 Os E 14 12 9 1.490 110.400 -53.80 -0.5160 21 O4 Oh S 12 9 7 1.446 106.980 175.05 -0.7390 22 H4O Ho E 21 12 9 0.961 109.446 60.50 0.4390 23 O2 Oh S 7 5 4 1.451 110.808 165.48 -0.6720 24 H2O Ho E 23 7 5 0.962 109.923 -165.71 0.4250 LOOP O5 C1 DONE 1Tv INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 28.037 69.042 -147.96 -0.3880 5 C1 Cg B 4 3 2 1.434 159.321 -91.12 0.4280 6 H1 H1 E 5 4 3 1.091 107.830 159.73 0.0000 7 O5 Os S 5 4 3 1.478 112.142 40.22 -0.4960 8 C5 Cg 3 7 5 4 1.481 115.346 177.66 0.2710 9 H5 H1 E 8 7 5 1.092 108.331 -61.04 0.0000 10 C6 Cg 3 8 7 5 1.530 107.109 -178.07 0.0170 11 H63 Hc E 10 8 7 1.091 111.734 -62.25 0.0000 12 H62 Hc E 10 8 7 1.091 111.279 57.96 0.0000 13 H61 Hc E 10 8 7 1.091 111.431 177.43 0.0000 14 C4 Cg 3 8 7 5 1.544 108.725 57.81 0.2960 15 H4 H1 E 14 8 7 1.091 109.448 70.86 0.0000 16 O4 Oh S 14 8 7 1.436 108.510 -170.47 -0.7290 17 H4O Ho E 16 14 8 0.960 109.450 -58.57 0.4250 18 C3 Cg 3 14 8 7 1.542 113.120 -51.10 0.0070 19 H32 Hc E 18 14 8 1.093 110.063 -70.43 0.0000 20 H31 Hc E 18 14 8 1.092 110.313 173.67 0.0000 21 C2 Cg B 18 14 8 1.538 111.976 50.24 0.2080 22 H2 H1 E 21 18 14 1.091 109.586 -173.03 0.0000 23 O2 Oh S 21 18 14 1.442 107.633 68.93 -0.6440 24 H2O Ho E 23 21 18 0.960 109.465 59.04 0.4110 LOOP C2 C1 DONE 1UA INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.253 99.481 -134.37 -0.3880 5 C1 Cg B 4 3 2 1.415 150.083 -55.11 0.3630 6 H1 H2 E 5 4 3 1.090 108.888 -153.57 0.0000 7 C2 Cg 3 5 4 3 1.559 111.645 83.84 0.2590 8 H2 H1 E 7 5 4 1.092 108.691 -44.04 0.0000 9 C3 Cg 3 7 5 4 1.555 110.585 -163.39 0.4170 10 H3 H1 E 9 7 5 1.092 108.809 -73.26 0.0000 11 C4 Cg 3 9 7 5 1.551 113.490 47.73 0.2230 12 H4 H1 E 11 9 7 1.092 108.495 63.78 0.0000 13 C5 Cg 3 11 9 7 1.541 110.331 -54.77 0.2320 14 H5 H1 E 13 11 9 1.091 107.517 172.11 0.0000 15 C6 C B 13 11 9 1.591 111.292 -72.79 0.6970 16 O6A O2 E 15 13 11 1.252 118.306 124.19 -0.7570 17 O6B O2 E 15 13 11 1.255 117.111 -52.87 -0.7570 18 O5 Os E 13 11 9 1.503 106.777 57.99 -0.5150 19 O4 Oh S 11 9 7 1.461 110.962 -178.03 -0.7110 20 H4O Ho E 19 11 9 0.984 107.477 94.04 0.3970 21 O3 Oh S 9 7 5 1.454 110.391 168.10 -0.7710 22 H3O Ho E 21 9 7 0.966 105.279 -166.24 0.4170 23 O2 Oh S 7 5 4 1.469 109.784 74.57 -0.6850 24 H2O Ho E 23 7 5 0.960 110.184 68.39 0.3850 LOOP O5 C1 DONE 1UB INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.282 99.657 -134.84 -0.3880 5 C1 Cg B 4 3 2 1.432 146.256 -66.08 0.2780 6 H1 H2 E 5 4 3 1.090 108.419 -34.63 0.0000 7 O5 Os S 5 4 3 1.478 109.000 -152.71 -0.4300 8 C5 Cg 3 7 5 4 1.512 117.828 -68.90 0.1940 9 H5 H1 E 8 7 5 1.091 106.542 -169.54 0.0000 10 C6 C B 8 7 5 1.581 117.000 73.30 0.7500 11 O6B O2 E 10 8 7 1.255 117.682 -174.70 -0.7830 12 O6A O2 E 10 8 7 1.252 117.516 3.62 -0.7830 13 C4 Cg 3 8 7 5 1.546 108.685 -54.23 0.3080 14 H4 H1 E 13 8 7 1.092 107.557 -65.54 0.0000 15 O4 Oh S 13 8 7 1.456 111.691 177.10 -0.7450 16 H4O Ho E 15 13 8 0.987 106.847 -27.71 0.4220 17 C3 Cg 3 13 8 7 1.552 112.015 52.87 0.2860 18 H3 H1 E 17 13 8 1.091 109.935 64.98 0.0000 19 O3 Oh S 17 13 8 1.460 108.958 -175.86 -0.7550 20 H3O Ho E 19 17 13 0.968 105.498 -44.40 0.4210 21 C2 Cg B 17 13 8 1.545 109.635 -56.37 0.2890 22 H2 H1 E 21 17 13 1.091 107.746 -60.80 0.0000 23 O2 Oh S 21 17 13 1.455 110.598 -177.09 -0.6800 24 H2O Ho E 23 21 17 0.964 105.470 34.40 0.4220 LOOP C2 C1 DONE 1VA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.368 100.226 -134.23 -0.3880 5 C1 Cg B 4 3 2 1.431 139.958 -46.81 0.3890 6 H1 H2 E 5 4 3 1.090 108.202 -164.92 0.0000 7 C2 Cg 3 5 4 3 1.564 112.437 75.04 0.3990 8 H2 H1 E 7 5 4 1.092 107.476 171.27 0.0000 9 C3 Cg 3 7 5 4 1.551 110.856 -71.08 0.1760 10 H3 H1 E 9 7 5 1.091 108.463 65.04 0.0000 11 C4 Cg 3 9 7 5 1.547 111.657 -53.80 0.3260 12 H4 H1 E 11 9 7 1.091 109.161 175.84 0.0000 13 C5 Cg 3 11 9 7 1.548 111.081 55.51 0.1120 14 H5 H1 E 13 11 9 1.091 106.814 64.45 0.0000 15 C6 Cg 3 13 11 9 1.543 114.704 -178.15 0.3620 16 H62 H1 E 15 13 11 1.090 110.167 -176.18 0.0000 17 H61 H1 E 15 13 11 1.090 109.608 -57.43 0.0000 18 O6 Oh S 15 13 11 1.435 111.052 62.92 -0.7110 19 H6O Ho E 18 15 13 0.972 106.687 -28.27 0.4240 20 O5 Os E 13 11 9 1.497 110.914 -51.89 -0.4660 21 O4 Oh S 11 9 7 1.450 108.917 -66.09 -0.7010 22 H4O Ho E 21 11 9 0.968 106.613 -47.88 0.4420 23 O3 Oh S 9 7 5 1.462 112.217 -176.56 -0.6780 24 H3O Ho E 23 9 7 0.964 110.475 -57.52 0.4250 25 N2 Ng B 7 5 4 1.483 111.776 53.04 -0.5950 26 H2N H E 25 7 5 1.007 117.335 -84.05 0.2380 27 C2N C B 25 7 5 1.336 122.570 82.01 0.6250 28 CME Cg 3 27 25 7 1.541 116.317 -175.68 0.0320 29 H3M Hc E 28 27 25 1.091 110.069 50.52 0.0000 30 H2M Hc E 28 27 25 1.091 110.181 170.34 0.0000 31 H1M Hc E 28 27 25 1.091 109.644 -69.76 0.0000 32 O2N O E 27 25 7 1.227 121.897 4.65 -0.6050 LOOP O5 C1 DONE 1VB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.333 99.317 -134.13 -0.3880 5 C1 Cg B 4 3 2 1.427 138.626 -71.33 0.3050 6 H1 H2 E 5 4 3 1.091 108.056 -21.23 0.0000 7 O5 Os S 5 4 3 1.472 106.693 -137.45 -0.4080 8 C5 Cg 3 7 5 4 1.495 116.111 -178.05 0.1360 9 H5 H1 E 8 7 5 1.092 107.966 -63.70 0.0000 10 C6 Cg 3 8 7 5 1.539 109.857 178.62 0.3530 11 H62 H1 E 10 8 7 1.090 110.929 -56.55 0.0000 12 H61 H1 E 10 8 7 1.091 110.331 -176.87 0.0000 13 O6 Oh S 10 8 7 1.436 108.896 63.69 -0.7140 14 H6O Ho E 13 10 8 0.962 107.704 -58.75 0.4270 15 C4 Cg 3 8 7 5 1.544 110.300 53.58 0.2530 16 H4 H1 E 15 8 7 1.091 109.265 -173.55 0.0000 17 O4 Oh S 15 8 7 1.445 109.653 67.69 -0.6900 18 H4O Ho E 17 15 8 0.968 108.059 -163.84 0.4400 19 C3 Cg 3 15 8 7 1.544 111.265 -52.85 0.1520 20 H3 H1 E 19 15 8 1.092 108.104 -62.30 0.0000 21 O3 Oh S 19 15 8 1.462 108.677 -178.29 -0.6650 22 H3O Ho E 21 19 15 0.963 111.335 83.35 0.4150 23 C2 Cg B 19 15 8 1.558 111.369 56.32 0.5440 24 H2 H1 E 23 19 15 1.091 108.714 61.92 0.0000 25 N2 Ng B 23 19 15 1.481 110.595 -177.69 -0.6860 26 H2N H E 25 23 19 1.005 118.080 75.06 0.2540 27 C2N C B 25 23 19 1.336 122.747 -106.72 0.5860 28 O2N O E 27 25 23 1.227 122.402 0.23 -0.5640 29 CME Cg 3 27 25 23 1.543 116.272 179.61 0.0560 30 H3M Hc E 29 27 25 1.092 110.645 35.56 0.0000 31 H2M Hc E 29 27 25 1.091 109.982 155.53 0.0000 32 H1M Hc E 29 27 25 1.091 109.419 -84.79 0.0000 LOOP C2 C1 DONE 1WA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.414 99.854 -133.99 -0.3880 5 C1 Cg B 4 3 2 1.422 141.800 -52.60 0.4621 6 H1 H2 E 5 4 3 1.090 108.189 -159.30 0.0000 7 C2 Cg 3 5 4 3 1.554 111.134 80.18 0.2750 8 H2 H1 E 7 5 4 1.092 108.155 51.51 0.0000 9 C3 Cg 3 7 5 4 1.549 109.899 -66.74 0.2520 10 H3 H1 E 9 7 5 1.091 108.295 65.94 0.0000 11 C4 Cg 3 9 7 5 1.550 112.400 -53.90 0.3213 12 H4 H1 E 11 9 7 1.091 108.333 -69.37 0.0000 13 C5 Cg 3 11 9 7 1.547 112.664 51.61 0.2421 14 H5 H1 E 13 11 9 1.092 107.873 70.23 0.0000 15 C6 Cg 3 13 11 9 1.545 113.564 -171.33 0.2995 16 H62 H1 E 15 13 11 1.090 109.575 173.73 0.0000 17 H61 H1 E 15 13 11 1.090 109.924 -68.06 0.0000 18 O6 Oh S 15 13 11 1.443 112.033 52.74 -0.6618 19 H6O Ho E 18 15 13 0.961 109.813 -82.79 0.3959 20 O5 Os E 13 11 9 1.495 111.317 -46.63 -0.5415 21 O4 Oh S 11 9 7 1.458 109.485 172.59 -0.7305 22 H4O Ho E 21 11 9 0.964 111.017 -55.33 0.4424 23 O3 Oh S 9 7 5 1.455 110.348 -176.42 -0.6987 24 H3O Ho E 23 9 7 0.965 109.543 171.31 0.4159 25 N2 Ng B 7 5 4 1.482 111.229 168.92 -0.4751 26 H2N H E 25 7 5 1.007 117.562 110.34 0.2142 27 C2N C B 25 7 5 1.336 123.787 -73.97 0.5909 28 CME Cg 3 27 25 7 1.539 115.681 -177.62 -0.0340 29 H3M Hc E 28 27 25 1.091 109.810 -60.19 0.0000 30 H2M Hc E 28 27 25 1.091 110.252 179.93 0.0000 31 H1M Hc E 28 27 25 1.091 109.868 60.00 0.0000 32 O2N O E 27 25 7 1.229 122.265 3.32 -0.5757 LOOP O5 C1 DONE 1WB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.404 99.151 -134.31 -0.3880 5 C1 Cg B 4 3 2 1.417 140.584 -73.18 0.3870 6 H1 H2 E 5 4 3 1.091 108.526 -17.48 0.0000 7 O5 Os S 5 4 3 1.464 106.762 -134.89 -0.4980 8 C5 Cg 3 7 5 4 1.498 114.507 177.44 0.3210 9 H5 H1 E 8 7 5 1.092 108.050 -62.29 0.0000 10 C6 Cg 3 8 7 5 1.542 108.838 -179.98 0.2470 11 H62 H1 E 10 8 7 1.091 110.098 -62.68 0.0000 12 H61 H1 E 10 8 7 1.090 110.437 177.81 0.0000 13 O6 Oh S 10 8 7 1.442 110.379 57.48 -0.6630 14 H6O Ho E 13 10 8 0.962 108.929 -56.35 0.4130 15 C4 Cg 3 8 7 5 1.549 109.860 56.38 0.2770 16 H4 H1 E 15 8 7 1.092 109.334 70.38 0.0000 17 O4 Oh S 15 8 7 1.447 108.932 -170.99 -0.7430 18 H4O Ho E 17 15 8 0.968 107.478 170.69 0.4390 19 C3 Cg 3 15 8 7 1.551 111.754 -50.66 0.2170 20 H3 H1 E 19 15 8 1.092 108.749 -66.35 0.0000 21 O3 Oh S 19 15 8 1.458 109.433 176.28 -0.6580 22 H3O Ho E 21 19 15 0.972 110.221 -149.04 0.4130 23 C2 Cg B 19 15 8 1.550 112.012 52.70 0.2940 24 H2 H1 E 23 19 15 1.092 107.937 -171.40 0.0000 25 N2 Ng B 23 19 15 1.485 111.811 69.61 -0.5580 26 H2N H E 25 23 19 1.007 117.378 -91.94 0.2650 27 C2N C B 25 23 19 1.337 123.528 90.12 0.5850 28 O2N O E 27 25 23 1.229 121.350 -4.57 -0.6000 29 CME Cg 3 27 25 23 1.544 116.722 177.13 0.0560 30 H3M Hc E 29 27 25 1.092 111.211 -15.23 0.0000 31 H2M Hc E 29 27 25 1.091 109.840 -135.47 0.0000 32 H1M Hc E 29 27 25 1.090 109.199 104.92 0.0000 LOOP C2 C1 DONE 1XA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.426 99.711 -133.95 -0.3880 5 C1 Cg B 4 3 2 1.419 141.464 -51.75 0.4820 6 H1 H2 E 5 4 3 1.090 108.856 -163.82 0.0000 7 C2 Cg 3 5 4 3 1.552 111.362 75.07 0.1970 8 H2 H1 E 7 5 4 1.091 107.726 172.55 0.0000 9 C3 Cg 3 7 5 4 1.543 111.214 -68.70 0.3590 10 H3 H1 E 9 7 5 1.092 109.408 69.19 0.0000 11 C4 Cg 3 9 7 5 1.547 112.192 -52.80 0.2470 12 H4 H1 E 11 9 7 1.091 109.623 -66.19 0.0000 13 C5 Cg 3 11 9 7 1.539 110.634 53.97 0.3350 14 H5E H1 E 13 11 9 1.090 109.984 -172.58 0.0000 15 H5A H1 E 13 11 9 1.091 110.140 68.68 0.0000 16 O5 Os E 13 11 9 1.489 111.025 -51.97 -0.5880 17 O4 Oh S 11 9 7 1.453 110.240 174.10 -0.7200 18 H4O Ho E 17 11 9 0.967 107.931 54.72 0.4200 19 O3 Oh S 9 7 5 1.451 108.116 -172.55 -0.7120 20 H3O Ho E 19 9 7 0.966 107.240 -43.40 0.4210 21 O2 Oh S 7 5 4 1.464 111.006 54.82 -0.6560 22 H2O Ho E 21 7 5 0.967 109.241 -39.05 0.4090 LOOP O5 C1 DONE 1XB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.592 99.462 -133.41 -0.3880 5 C1 Cg B 4 3 2 1.422 138.904 -73.22 0.2480 6 H1 H2 E 5 4 3 1.091 108.928 -20.72 0.0000 7 O5 Os S 5 4 3 1.466 106.767 -138.18 -0.4470 8 C5 Cg 3 7 5 4 1.482 115.196 -177.21 0.3030 9 H5E H1 E 8 7 5 1.090 109.061 178.41 0.0000 10 H5A H1 E 8 7 5 1.092 109.076 -63.64 0.0000 11 C4 Cg 3 8 7 5 1.541 109.795 57.60 0.2860 12 H4 H1 E 11 8 7 1.091 109.061 67.02 0.0000 13 O4 Oh S 11 8 7 1.447 108.470 -174.60 -0.7230 14 H4O Ho E 13 11 8 0.966 107.383 173.28 0.4300 15 C3 Cg 3 11 8 7 1.546 111.571 -54.26 0.2280 16 H3 H1 E 15 11 8 1.092 109.010 -67.31 0.0000 17 O3 Oh S 15 11 8 1.458 108.945 174.50 -0.6820 18 H3O Ho E 17 15 11 0.967 108.169 -177.96 0.4270 19 C2 Cg B 15 11 8 1.547 111.370 53.00 0.4250 20 H2 H1 E 19 15 11 1.092 109.571 69.62 0.0000 21 O2 Oh S 19 15 11 1.452 108.733 -171.44 -0.6990 22 H2O Ho E 21 19 15 0.965 106.939 170.97 0.3980 LOOP C2 C1 DONE 1XD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.784 100.379 -133.93 -0.3880 5 C1 Cg B 4 3 2 1.420 131.971 -40.10 0.4280 6 H1 H1 E 5 4 3 1.090 110.948 -167.61 0.0000 7 C2 Cg 3 5 4 3 1.636 110.604 65.78 0.2480 8 H2 H1 E 7 5 4 1.091 107.679 145.62 0.0000 9 C3 Cg 3 7 5 4 1.634 106.860 -97.73 0.3020 10 H3 H1 E 9 7 5 1.091 108.695 100.33 0.0000 11 C4 Cg 3 9 7 5 1.626 107.473 -15.89 0.2370 12 H4 H1 E 11 9 7 1.090 108.401 126.25 0.0000 13 C5 Cg 3 11 9 7 1.543 116.861 -110.85 0.2800 14 H52 H1 E 13 11 9 1.090 109.111 -166.53 0.0000 15 H51 H1 E 13 11 9 1.090 111.083 -47.72 0.0000 16 O5 Oh S 13 11 9 1.441 110.629 74.51 -0.6780 17 H5O Ho E 16 13 11 0.962 107.911 53.44 0.4220 18 O4 Os E 11 9 7 1.593 104.822 10.20 -0.5070 19 O3 Oh S 9 7 5 1.447 111.050 -140.89 -0.7140 20 H3O Ho E 19 9 7 0.963 109.068 -54.84 0.4260 21 O2 Oh S 7 5 4 1.455 113.910 25.58 -0.6570 22 H2O Ho E 21 7 5 0.967 107.830 -15.92 0.4070 LOOP O4 C1 DONE 1XU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.880 98.939 -132.50 -0.3880 5 C1 Cg B 4 3 2 1.421 109.248 -88.89 0.3880 6 H1 H2 E 5 4 3 1.090 110.400 -19.49 0.0000 7 O4 Os S 5 4 3 1.557 108.472 -139.52 -0.4270 8 C4 Cg 3 7 5 4 1.585 113.491 -122.43 0.1420 9 H4 H1 E 8 7 5 1.091 108.575 -119.30 0.0000 10 C5 Cg 3 8 7 5 1.541 109.761 121.74 0.2850 11 H52 H1 E 10 8 7 1.091 110.415 -59.53 0.0000 12 H51 H1 E 10 8 7 1.090 109.960 -179.16 0.0000 13 O5 Oh S 10 8 7 1.439 110.113 61.06 -0.6350 14 H5O Ho E 13 10 8 0.959 109.575 48.10 0.3960 15 C3 Cg 3 8 7 5 1.626 104.984 -3.27 0.2240 16 H3 H1 E 15 8 7 1.091 107.946 -110.07 0.0000 17 O3 Oh S 15 8 7 1.450 112.399 130.64 -0.6620 18 H3O Ho E 17 15 8 0.964 109.399 168.94 0.4120 19 C2 Cg B 15 8 7 1.636 107.660 8.09 0.3820 20 H2 H1 E 19 15 8 1.091 109.319 108.55 0.0000 21 O2 Oh S 19 15 8 1.454 110.186 -132.48 -0.7310 22 H2O Ho E 21 19 15 0.963 109.130 -172.15 0.4200 LOOP C2 C1 DONE 1YA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.430 99.870 -133.70 -0.3880 5 C1 Cg B 4 3 2 1.420 138.930 -57.82 0.4680 6 H1 H2 E 5 4 3 1.090 108.247 -155.31 0.0000 7 C2 Cg 3 5 4 3 1.558 112.461 84.40 0.2450 8 H2 H1 E 7 5 4 1.092 106.853 170.61 0.0000 9 C3 Cg 3 7 5 4 1.547 112.034 -71.71 0.1650 10 H3 H1 E 9 7 5 1.092 108.717 70.25 0.0000 11 C4 Cg 3 9 7 5 1.546 112.211 -50.71 0.3220 12 H4 H1 E 11 9 7 1.091 108.977 -70.26 0.0000 13 C5 Cg 3 11 9 7 1.544 112.523 51.74 0.2460 14 H5 H1 E 13 11 9 1.092 108.088 68.11 0.0000 15 C6 Cg 3 13 11 9 1.544 112.817 -173.43 0.3280 16 H62 H1 E 15 13 11 1.090 110.073 -62.63 0.0000 17 H61 H1 E 15 13 11 1.090 109.603 179.01 0.0000 18 O6 Oh S 15 13 11 1.444 111.701 58.39 -0.6880 19 H6O Ho E 18 15 13 0.960 109.460 179.56 0.4210 20 O5 Os E 13 11 9 1.500 111.305 -49.14 -0.5680 21 O4 Oh S 11 9 7 1.448 107.905 171.55 -0.7330 22 H4O Ho E 21 11 9 0.967 106.060 48.68 0.4490 23 O3 Oh S 9 7 5 1.457 109.988 -171.07 -0.6300 24 H3O Ho E 23 9 7 0.977 109.893 -12.80 0.4130 25 N2 Ng B 7 5 4 1.486 111.224 53.55 -0.5520 26 H2N H E 25 7 5 1.009 115.982 -30.97 0.2360 27 C2N C B 25 7 5 1.338 124.714 152.48 0.5880 28 CME Cg 3 27 25 7 1.544 117.110 -175.73 0.0630 29 H3M Hc E 28 27 25 1.092 111.363 2.06 0.0000 30 H2M Hc E 28 27 25 1.091 109.387 122.31 0.0000 31 H1M Hc E 28 27 25 1.090 109.379 -118.32 0.0000 32 O2N O E 27 25 7 1.228 121.379 4.88 -0.5790 LOOP O5 C1 DONE 1YB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.398 99.079 -134.14 -0.3880 5 C1 Cg B 4 3 2 1.424 139.065 -75.37 0.2870 6 H1 H2 E 5 4 3 1.091 108.239 -18.53 0.0000 7 O5 Os S 5 4 3 1.468 106.763 -135.19 -0.4330 8 C5 Cg 3 7 5 4 1.493 115.188 179.81 0.2080 9 H5 H1 E 8 7 5 1.092 108.293 -60.80 0.0000 10 C6 Cg 3 8 7 5 1.540 109.520 -179.10 0.2890 11 H62 H1 E 10 8 7 1.091 110.298 -62.00 0.0000 12 H61 H1 E 10 8 7 1.090 110.526 178.17 0.0000 13 O6 Oh S 10 8 7 1.439 109.712 58.17 -0.6890 14 H6O Ho E 13 10 8 0.961 108.379 -54.80 0.4240 15 C4 Cg 3 8 7 5 1.542 108.679 57.57 0.3020 16 H4 H1 E 15 8 7 1.092 109.552 66.23 0.0000 17 O4 Oh S 15 8 7 1.444 108.611 -175.00 -0.7160 18 H4O Ho E 17 15 8 0.967 106.789 174.20 0.4360 19 C3 Cg 3 15 8 7 1.547 111.743 -55.34 0.1800 20 H3 H1 E 19 15 8 1.092 108.855 -63.61 0.0000 21 O3 Oh S 19 15 8 1.462 108.350 179.31 -0.6810 22 H3O Ho E 21 19 15 0.964 110.728 170.98 0.4230 23 C2 Cg B 19 15 8 1.555 110.847 55.82 0.4800 24 H2 H1 E 23 19 15 1.092 108.016 63.51 0.0000 25 N2 Ng B 23 19 15 1.484 110.897 -176.40 -0.7220 26 H2N H E 25 23 19 1.006 117.592 78.54 0.3000 27 C2N C B 25 23 19 1.336 123.143 -111.93 0.6480 28 O2N O E 27 25 23 1.226 122.116 6.61 -0.5760 29 CME Cg 3 27 25 23 1.542 116.434 -175.43 0.0340 30 H3M Hc E 29 27 25 1.092 110.630 37.74 0.0000 31 H2M Hc E 29 27 25 1.091 110.076 157.79 0.0000 32 H1M Hc E 29 27 25 1.091 109.335 -82.58 0.0000 LOOP C2 C1 DONE 1ZA INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.452 99.985 -133.89 -0.3880 5 C1 Cg B 4 3 2 1.422 86.894 74.55 0.3980 6 H1 H2 E 5 4 3 1.090 108.692 10.72 0.0000 7 C2 Cg 3 5 4 3 1.551 112.704 -110.95 0.3260 8 H2 H1 E 7 5 4 1.091 107.487 172.65 0.0000 9 C3 Cg 3 7 5 4 1.547 112.398 -68.19 0.3000 10 H3 H1 E 9 7 5 1.092 108.680 71.61 0.0000 11 C4 Cg 3 9 7 5 1.555 112.948 -49.44 0.1930 12 H4 H1 E 11 9 7 1.091 109.268 -72.54 0.0000 13 C5 Cg 3 11 9 7 1.550 113.190 48.46 0.1870 14 H5 H1 E 13 11 9 1.092 106.693 67.16 0.0000 15 C6 C B 13 11 9 1.597 111.674 -179.86 0.7980 16 O6A O2 E 15 13 11 1.259 117.589 -37.92 -0.7870 17 O6B O2 E 15 13 11 1.252 118.424 145.06 -0.7870 18 O5 Os E 13 11 9 1.515 110.155 -47.11 -0.5440 19 O4 Oh S 11 9 7 1.452 109.657 168.36 -0.6820 20 H4O Ho E 19 11 9 0.983 105.869 -171.10 0.4220 21 O3 Oh S 9 7 5 1.458 107.208 -171.22 -0.7430 22 H3O Ho E 21 9 7 0.962 107.044 -49.33 0.4390 23 O2 Oh S 7 5 4 1.467 110.139 55.45 -0.7320 24 H2O Ho E 23 7 5 0.965 107.076 -40.93 0.4060 LOOP O5 C1 DONE 1ZB INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 22.370 99.121 -133.91 -0.3880 5 C1 Cg B 4 3 2 1.424 135.841 -72.27 0.2510 6 H1 H2 E 5 4 3 1.091 109.005 -22.07 0.0000 7 O5 Os S 5 4 3 1.460 105.877 -139.12 -0.4130 8 C5 Cg 3 7 5 4 1.502 116.304 -178.71 0.0750 9 H5 H1 E 8 7 5 1.092 106.868 -58.62 0.0000 10 C6 C B 8 7 5 1.584 116.788 -176.23 0.8930 11 O6B O2 E 10 8 7 1.258 117.333 -166.06 -0.8180 12 O6A O2 E 10 8 7 1.252 118.262 15.31 -0.8180 13 C4 Cg 3 8 7 5 1.542 108.303 57.48 0.2670 14 H4 H1 E 13 8 7 1.092 108.248 69.44 0.0000 15 O4 Oh S 13 8 7 1.449 108.907 -172.84 -0.7330 16 H4O Ho E 15 13 8 0.987 105.292 -42.75 0.4290 17 C3 Cg 3 13 8 7 1.552 113.280 -51.87 0.2660 18 H3 H1 E 17 13 8 1.092 108.760 -69.98 0.0000 19 O3 Oh S 17 13 8 1.459 107.412 172.72 -0.7010 20 H3O Ho E 19 17 13 0.966 105.666 48.32 0.4030 21 C2 Cg B 17 13 8 1.551 112.291 50.40 0.4110 22 H2 H1 E 21 17 13 1.092 109.200 71.99 0.0000 23 O2 Oh S 21 17 13 1.458 111.055 -168.01 -0.7400 24 H2O Ho E 23 21 17 0.962 106.072 172.93 0.4220 LOOP C2 C1 DONE 1aA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.904 123.284 -139.03 -0.3880 5 C1 Cg B 4 3 2 1.435 100.379 171.32 0.4480 6 H1 H2 E 5 4 3 1.091 107.546 -13.60 0.0000 7 O5 Os S 5 4 3 1.484 111.779 -132.26 -0.5640 8 C5 Cg 3 7 5 4 1.479 117.874 -71.76 0.3790 9 H5A H1 E 8 7 5 1.091 109.412 64.62 0.0000 10 H5E H1 E 8 7 5 1.090 109.141 -176.99 0.0000 11 C4 Cg 3 8 7 5 1.532 108.551 -56.56 0.2450 12 H4 H1 E 11 8 7 1.091 108.287 -64.52 0.0000 13 O4 Oh S 11 8 7 1.437 109.023 178.50 -0.7480 14 H4O Ho E 13 11 8 0.960 109.412 -63.47 0.4340 15 C3 Cg 3 11 8 7 1.543 112.944 55.64 0.3350 16 H3 H1 E 15 11 8 1.091 109.892 -174.01 0.0000 17 O3 Oh S 15 11 8 1.441 110.011 67.03 -0.7720 18 H3O Ho E 17 15 11 0.960 109.473 179.30 0.4610 19 C2 Cg B 15 11 8 1.543 111.532 -51.47 0.2680 20 H2 H1 E 19 15 11 1.092 109.910 169.41 0.0000 21 O2 Oh S 19 15 11 1.437 107.286 -74.11 -0.7350 22 H2O Ho E 21 19 15 0.960 109.480 -58.08 0.4430 LOOP C2 C1 DONE 1aB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.296 116.031 -131.44 -0.3880 5 C1 Cg B 4 3 2 1.417 128.504 -54.63 0.3790 6 H1 H2 E 5 4 3 1.091 108.381 -13.82 0.0000 7 C2 Cg 3 5 4 3 1.563 111.067 -134.88 0.3000 8 H2 H1 E 7 5 4 1.091 109.469 67.02 0.0000 9 C3 Cg 3 7 5 4 1.543 109.402 -172.41 0.2970 10 H3 H1 E 9 7 5 1.091 109.527 174.23 0.0000 11 C4 Cg 3 9 7 5 1.551 111.469 53.21 0.2240 12 H4 H1 E 11 9 7 1.091 108.923 64.26 0.0000 13 C5 Cg 3 11 9 7 1.546 111.087 -54.81 0.3560 14 H5A H1 E 13 11 9 1.091 110.570 -66.53 0.0000 15 H5E H1 E 13 11 9 1.090 109.958 174.33 0.0000 16 O5 Os E 13 11 9 1.485 110.184 54.27 -0.5290 17 O4 Oh S 11 9 7 1.458 110.429 -177.71 -0.7300 18 H4O Ho E 17 11 9 0.964 110.010 -85.04 0.4400 19 O3 Oh S 9 7 5 1.454 108.942 -67.85 -0.6680 20 H3O Ho E 19 9 7 0.966 107.607 169.51 0.4070 21 O2 Oh S 7 5 4 1.460 111.691 -52.86 -0.7000 22 H2O Ho E 21 7 5 0.965 107.206 46.97 0.4180 LOOP O5 C1 DONE 1aD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.454 115.518 -131.04 -0.3880 5 C1 Cg B 4 3 2 1.417 129.202 -71.20 0.3680 6 H1 H2 E 5 4 3 1.090 110.634 112.33 0.0000 7 O4 Os S 5 4 3 1.561 107.714 -7.92 -0.4530 8 C4 Cg 3 7 5 4 1.585 113.130 -114.98 0.1470 9 H4 H1 E 8 7 5 1.091 108.094 110.87 0.0000 10 C5 Cg 3 8 7 5 1.531 111.011 -129.51 0.3380 11 H51 H1 E 10 8 7 1.090 110.161 -65.64 0.0000 12 H52 H1 E 10 8 7 1.090 110.286 174.71 0.0000 13 O5 Oh S 10 8 7 1.438 109.271 54.27 -0.6960 14 H5O Ho E 13 10 8 0.963 107.879 -70.16 0.3990 15 C3 Cg 3 8 7 5 1.617 105.385 -6.71 0.3700 16 H3 H1 E 15 8 7 1.091 110.266 -112.89 0.0000 17 O3 Oh S 15 8 7 1.445 109.680 127.75 -0.7030 18 H3O Ho E 17 15 8 0.962 109.189 179.20 0.4040 19 C2 Cg B 15 8 7 1.638 107.830 6.88 0.2780 20 H2 H1 E 19 15 8 1.092 109.588 114.25 0.0000 21 O2 Oh S 19 15 8 1.459 110.296 -126.81 -0.6880 22 H2O Ho E 21 19 15 0.962 111.196 67.05 0.4300 LOOP C2 C1 DONE 1aU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.166 115.575 -132.42 -0.3880 5 C1 Cg B 4 3 2 1.422 154.425 -39.91 0.4770 6 H1 H2 E 5 4 3 1.090 111.169 -19.93 0.0000 7 C2 Cg 3 5 4 3 1.636 111.447 -146.05 0.3280 8 H2 H1 E 7 5 4 1.091 107.572 140.52 0.0000 9 C3 Cg 3 7 5 4 1.636 107.243 -102.43 0.2150 10 H3 H1 E 9 7 5 1.091 109.548 106.72 0.0000 11 C4 Cg 3 9 7 5 1.623 107.636 -12.21 0.3270 12 H4 H1 E 11 9 7 1.091 110.021 -108.06 0.0000 13 C5 Cg 3 11 9 7 1.536 113.561 128.49 0.2270 14 H51 H1 E 13 11 9 1.090 110.273 60.89 0.0000 15 H52 H1 E 13 11 9 1.090 110.003 -58.63 0.0000 16 O5 Oh S 13 11 9 1.440 109.976 -178.69 -0.6500 17 H5O Ho E 16 13 11 0.963 109.100 48.75 0.3970 18 O4 Os E 11 9 7 1.592 104.988 8.35 -0.5320 19 O3 Oh S 9 7 5 1.449 110.684 -133.44 -0.7280 20 H3O Ho E 19 9 7 0.965 109.557 -66.15 0.4370 21 O2 Oh S 7 5 4 1.456 114.449 20.46 -0.7210 22 H2O Ho E 21 7 5 0.967 108.079 -13.83 0.4170 LOOP O4 C1 DONE 1bA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300 5 O6 Os S 4 3 2 1.483 117.931 41.66 -0.5070 6 C6 Cg 3 5 4 3 1.491 117.309 -140.69 0.3410 7 H6A H1 E 6 5 4 1.091 108.839 69.58 0.0000 8 H6E H1 E 6 5 4 1.090 108.907 -173.08 0.0000 9 C5 Cg 3 6 5 4 1.544 111.103 -51.77 0.2240 10 H5 H1 E 9 6 5 1.091 108.357 -70.02 0.0000 11 O5 Oh S 9 6 5 1.455 108.467 172.51 -0.6900 12 H5O Ho E 11 9 6 0.963 109.307 159.42 0.4290 13 C4 Cg 3 9 6 5 1.550 111.673 50.56 0.3350 14 H4 H1 E 13 9 6 1.092 110.207 65.56 0.0000 15 O4 Oh S 13 9 6 1.461 109.228 -175.33 -0.7240 16 H4O Ho E 15 13 9 0.964 108.580 -89.49 0.4210 17 C3 Cg B 13 9 6 1.548 109.394 -55.39 0.3720 18 H3 H1 E 17 13 9 1.092 107.364 -59.65 0.0000 19 O3 Oh S 17 13 9 1.456 111.878 -176.69 -0.7160 20 H3O Ho E 19 17 13 0.964 107.033 43.80 0.4300 21 C1 Cg M 4 3 2 1.560 38.289 130.05 0.4280 22 H11 H1 E 21 4 3 1.090 109.813 -63.29 0.0000 23 H12 H1 E 21 4 3 1.091 110.098 55.13 0.0000 24 O1 Os M 21 4 3 1.443 112.003 175.62 -0.4730 LOOP C3 C2 DONE 1bB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270 5 C3 Cg 3 4 3 2 1.564 137.751 -159.39 0.4640 6 H3 H1 E 5 4 3 1.092 108.642 -99.82 0.0000 7 C4 Cg 3 5 4 3 1.550 112.585 140.12 0.1080 8 H4 H1 E 7 5 4 1.092 109.044 -68.01 0.0000 9 C5 Cg 3 7 5 4 1.545 110.670 52.19 0.3400 10 H5 H1 E 9 7 5 1.091 109.543 69.26 0.0000 11 C6 Cg 3 9 7 5 1.543 112.662 -52.18 0.3110 12 H6A H1 E 11 9 7 1.091 110.545 -68.04 0.0000 13 H6E H1 E 11 9 7 1.090 110.160 172.58 0.0000 14 O6 Os E 11 9 7 1.485 109.751 52.43 -0.4770 15 O5 Oh S 9 7 5 1.444 107.942 -172.32 -0.7200 16 H5O Ho E 15 9 7 0.966 106.322 -48.08 0.4290 17 O4 Oh S 7 5 4 1.460 110.433 173.08 -0.6750 18 H4O Ho E 17 7 5 0.968 108.634 54.62 0.4350 19 O3 Oh S 5 4 3 1.453 110.350 18.53 -0.7300 20 H3O Ho E 19 5 4 0.965 106.403 -56.73 0.4320 21 C1 Cg M 4 3 2 1.563 58.191 -68.63 0.2810 22 H11 H1 E 21 4 3 1.090 110.121 173.79 0.0000 23 H12 H1 E 21 4 3 1.091 110.325 -67.50 0.0000 24 O1 Os M 21 4 3 1.444 111.743 53.37 -0.4250 LOOP O6 C2 DONE 1bD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410 5 O5 Os S 4 3 2 1.565 96.957 71.60 -0.4520 6 C5 Cg 3 5 4 3 1.587 113.494 153.37 0.2710 7 H5 H1 E 6 5 4 1.091 109.010 115.27 0.0000 8 C6 Cg 3 6 5 4 1.543 109.502 -125.08 0.2810 9 H61 H1 E 8 6 5 1.090 110.249 169.67 0.0000 10 H62 H1 E 8 6 5 1.091 109.980 50.42 0.0000 11 O6 Oh S 8 6 5 1.443 110.886 -70.57 -0.6790 12 H6O Ho E 11 8 6 0.959 110.164 -69.40 0.4110 13 C4 Cg 3 6 5 4 1.626 104.732 -0.82 0.2250 14 H4 H1 E 13 6 5 1.091 107.421 106.22 0.0000 15 O4 Oh S 13 6 5 1.457 113.168 -134.63 -0.7100 16 H4O Ho E 15 13 6 0.965 109.577 -164.20 0.4350 17 C3 Cg B 13 6 5 1.636 107.413 -10.45 0.4400 18 H3 H1 E 17 13 6 1.090 107.628 -98.64 0.0000 19 O3 Oh S 17 13 6 1.453 110.696 144.44 -0.7320 20 H3O Ho E 19 17 13 0.959 109.052 117.13 0.4040 21 C1 Cg M 4 3 2 1.546 22.070 -155.25 0.3130 22 H11 H1 E 21 4 3 1.091 109.856 0.87 0.0000 23 H12 H1 E 21 4 3 1.090 110.325 119.99 0.0000 24 O1 Os M 21 4 3 1.443 110.871 -119.49 -0.4480 LOOP C3 C2 DONE 1bU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470 5 C3 Cg 3 4 3 2 1.635 135.193 -142.32 0.3820 6 H3 H1 E 5 4 3 1.091 108.980 -85.98 0.0000 7 C4 Cg 3 5 4 3 1.637 107.249 157.15 0.2830 8 H4 H1 E 7 5 4 1.091 108.865 -102.82 0.0000 9 C5 Cg 3 7 5 4 1.624 107.577 13.45 0.2100 10 H5 H1 E 9 7 5 1.091 108.969 -127.62 0.0000 11 C6 Cg 3 9 7 5 1.541 114.994 109.54 0.3320 12 H61 H1 E 11 9 7 1.090 109.861 59.82 0.0000 13 H62 H1 E 11 9 7 1.090 110.302 -59.54 0.0000 14 O6 Oh S 11 9 7 1.442 110.695 179.56 -0.7010 15 H6O Ho E 14 11 9 0.959 110.169 -52.94 0.4090 16 O5 Os E 9 7 5 1.582 104.801 -11.31 -0.3850 17 O4 Oh S 7 5 4 1.453 111.864 137.73 -0.7550 18 H4O Ho E 17 7 5 0.964 109.402 67.17 0.4340 19 O3 Oh S 5 4 3 1.455 113.678 34.22 -0.7420 20 H3O Ho E 19 5 4 0.963 108.479 -78.45 0.4260 21 C1 Cg M 4 3 2 1.553 43.383 -64.68 0.2990 22 H11 H1 E 21 4 3 1.091 109.538 173.60 0.0000 23 H12 H1 E 21 4 3 1.091 110.361 -67.58 0.0000 24 O1 Os M 21 4 3 1.445 111.462 53.50 -0.4390 LOOP O5 C2 DONE 1cA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450 5 O6 Os S 4 3 2 1.483 117.808 35.58 -0.6200 6 C6 Cg 3 5 4 3 1.483 118.572 -140.03 0.4370 7 H6A H1 E 6 5 4 1.091 109.541 67.42 0.0000 8 H6E H1 E 6 5 4 1.090 108.752 -174.83 0.0000 9 C5 Cg 3 6 5 4 1.538 109.646 -54.60 0.1950 10 H5 H1 E 9 6 5 1.091 108.701 -59.59 0.0000 11 O5 Oh S 9 6 5 1.462 111.474 -178.00 -0.7090 12 H5O Ho E 11 9 6 0.964 110.741 83.12 0.4150 13 C4 Cg 3 9 6 5 1.544 109.577 58.96 0.3670 14 H4 H1 E 13 9 6 1.091 108.427 -177.56 0.0000 15 O4 Oh S 13 9 6 1.450 110.035 65.74 -0.7200 16 H4O Ho E 15 13 9 0.965 107.347 50.59 0.3940 17 C3 Cg B 13 9 6 1.551 112.343 -57.29 0.2470 18 H3 H1 E 17 13 9 1.092 108.943 168.11 0.0000 19 O3 Oh S 17 13 9 1.466 107.388 -76.78 -0.6550 20 H3O Ho E 19 17 13 0.965 109.737 -75.75 0.4060 21 C1 Cg M 4 3 2 1.567 44.165 126.75 0.3860 22 H11 H1 E 21 4 3 1.091 110.132 -50.25 0.0000 23 H12 H1 E 21 4 3 1.091 109.446 67.92 0.0000 24 O1 Os M 21 4 3 1.446 112.801 -171.35 -0.4880 LOOP C3 C2 DONE 1cB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440 5 C3 Cg 3 4 3 2 1.569 136.938 -155.77 0.3170 6 H3 H1 E 5 4 3 1.091 109.321 19.65 0.0000 7 C4 Cg 3 5 4 3 1.551 113.143 142.19 0.3440 8 H4 H1 E 7 5 4 1.091 109.341 168.38 0.0000 9 C5 Cg 3 7 5 4 1.549 111.995 47.93 0.1950 10 H5 H1 E 9 7 5 1.091 108.324 67.05 0.0000 11 C6 Cg 3 9 7 5 1.539 112.024 -51.70 0.3650 12 H6A H1 E 11 9 7 1.091 110.698 -66.37 0.0000 13 H6E H1 E 11 9 7 1.090 110.083 174.22 0.0000 14 O6 Os E 11 9 7 1.482 109.460 54.46 -0.4600 15 O5 Oh S 9 7 5 1.457 110.756 -175.28 -0.6840 16 H5O Ho E 15 9 7 0.965 109.084 44.29 0.4150 17 O4 Oh S 7 5 4 1.459 109.536 -74.38 -0.6980 18 H4O Ho E 17 7 5 0.964 108.929 -91.80 0.4170 19 O3 Oh S 5 4 3 1.453 110.172 -98.32 -0.6970 20 H3O Ho E 19 5 4 0.968 105.774 30.26 0.4070 21 C1 Cg M 4 3 2 1.563 56.302 -67.37 0.2970 22 H11 H1 E 21 4 3 1.088 110.800 167.68 0.0000 23 H12 H1 E 21 4 3 1.091 110.065 -73.30 0.0000 24 O1 Os M 21 4 3 1.447 111.733 47.62 -0.4620 LOOP O6 C2 DONE 1cD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840 5 O5 Os S 4 3 2 1.564 97.899 67.10 -0.4980 6 C5 Cg 3 5 4 3 1.584 113.350 147.62 0.3090 7 H5 H1 E 6 5 4 1.092 109.375 118.93 0.0000 8 C6 Cg 3 6 5 4 1.538 110.489 -119.98 0.2650 9 H61 H1 E 8 6 5 1.090 109.956 165.98 0.0000 10 H62 H1 E 8 6 5 1.091 109.952 47.12 0.0000 11 O6 Oh S 8 6 5 1.442 111.246 -74.00 -0.6640 12 H6O Ho E 11 8 6 0.960 110.855 -67.48 0.4120 13 C4 Cg 3 6 5 4 1.621 104.926 0.33 0.3320 14 H4 H1 E 13 6 5 1.091 111.196 -131.00 0.0000 15 O4 Oh S 13 6 5 1.453 109.530 109.63 -0.7840 16 H4O Ho E 15 13 6 0.965 110.375 -68.04 0.4440 17 C3 Cg B 13 6 5 1.638 107.987 -8.85 0.2820 18 H3 H1 E 17 13 6 1.091 111.251 134.95 0.0000 19 O3 Oh S 17 13 6 1.460 108.216 -106.61 -0.7160 20 H3O Ho E 19 17 13 0.965 109.355 -77.40 0.4320 21 C1 Cg M 4 3 2 1.556 17.540 -147.50 0.3700 22 H11 H1 E 21 4 3 1.091 110.210 18.90 0.0000 23 H12 H1 E 21 4 3 1.091 109.651 137.75 0.0000 24 O1 Os M 21 4 3 1.441 111.328 -102.08 -0.4680 LOOP C3 C2 DONE 1cU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390 5 C3 Cg 3 4 3 2 1.636 113.047 -107.26 0.3330 6 H3 H1 E 5 4 3 1.091 111.948 41.20 0.0000 7 C4 Cg 3 5 4 3 1.624 107.103 164.76 0.2930 8 H4 H1 E 7 5 4 1.092 112.868 136.79 0.0000 9 C5 Cg 3 7 5 4 1.622 107.882 12.29 0.3100 10 H5 H1 E 9 7 5 1.092 110.981 -127.12 0.0000 11 C6 Cg 3 9 7 5 1.529 112.711 109.36 0.2720 12 H61 H1 E 11 9 7 1.090 110.315 59.90 0.0000 13 H62 H1 E 11 9 7 1.091 110.618 -60.32 0.0000 14 O6 Oh S 11 9 7 1.433 108.667 179.51 -0.6520 15 H6O Ho E 14 11 9 0.960 109.494 -59.32 0.3970 16 O5 Os E 9 7 5 1.577 105.503 -8.77 -0.4490 17 O4 Oh S 7 5 4 1.434 107.032 -103.41 -0.7630 18 H4O Ho E 17 7 5 0.960 109.480 178.44 0.4310 19 O3 Oh S 5 4 3 1.439 111.311 -80.89 -0.6910 20 H3O Ho E 19 5 4 0.960 109.418 61.51 0.4100 21 C1 Cg M 4 3 2 1.537 53.448 -6.93 0.2870 22 H11 H1 E 21 4 3 1.091 109.952 -154.15 0.0000 23 H12 H1 E 21 4 3 1.091 110.638 -34.86 0.0000 24 O1 Os M 21 4 3 1.437 110.256 86.15 -0.4170 LOOP O5 C2 DONE 1dA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.281 115.762 -131.43 -0.3880 5 C1 Cg B 4 3 2 1.420 140.263 -63.74 0.3980 6 H1 H2 E 5 4 3 1.090 108.217 120.14 0.0000 7 O5 Os S 5 4 3 1.470 107.879 3.11 -0.4870 8 C5 Cg 3 7 5 4 1.490 117.560 -74.08 0.2750 9 H5A H1 E 8 7 5 1.092 108.478 71.52 0.0000 10 H5E H1 E 8 7 5 1.090 108.927 -171.44 0.0000 11 C4 Cg 3 8 7 5 1.543 111.684 -49.69 0.3510 12 H4 H1 E 11 8 7 1.091 109.854 -69.03 0.0000 13 O4 Oh S 11 8 7 1.447 108.472 171.92 -0.7110 14 H4O Ho E 13 11 8 0.966 106.152 -168.99 0.4220 15 C3 Cg 3 11 8 7 1.545 110.247 52.70 0.1840 16 H3 H1 E 15 11 8 1.091 108.583 60.91 0.0000 17 O3 Oh S 15 11 8 1.459 110.859 178.21 -0.6550 18 H3O Ho E 17 15 11 0.962 110.146 169.76 0.4170 19 C2 Cg B 15 11 8 1.549 111.008 -57.45 0.2460 20 H2 H1 E 19 15 11 1.091 109.256 175.96 0.0000 21 O2 Oh S 19 15 11 1.458 110.247 -65.62 -0.6780 22 H2O Ho E 21 19 15 0.962 110.757 -168.88 0.4320 LOOP C2 C1 DONE 1dB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.124 115.720 -131.55 -0.3880 5 C1 Cg B 4 3 2 1.435 106.152 104.80 0.4480 6 H1 H2 E 5 4 3 1.091 107.724 -109.76 0.0000 7 C2 Cg 3 5 4 3 1.543 109.519 131.19 0.2260 8 H2 H1 E 7 5 4 1.091 110.247 58.90 0.0000 9 C3 Cg 3 7 5 4 1.543 109.102 179.97 0.2010 10 H3 H1 E 9 7 5 1.092 108.078 -65.99 0.0000 11 C4 Cg 3 9 7 5 1.543 112.432 54.46 0.3350 12 H4 H1 E 11 9 7 1.091 110.326 70.31 0.0000 13 C5 Cg 3 11 9 7 1.539 111.797 -51.79 0.2750 14 H5A H1 E 13 11 9 1.092 110.541 -69.74 0.0000 15 H5E H1 E 13 11 9 1.090 110.214 170.80 0.0000 16 O5 Os E 13 11 9 1.480 110.071 50.34 -0.5190 17 O4 Oh S 11 9 7 1.436 108.765 -169.83 -0.7090 18 H4O Ho E 17 11 9 0.960 109.449 -59.99 0.4360 19 O3 Oh S 9 7 5 1.440 109.342 176.73 -0.7010 20 H3O Ho E 19 9 7 0.960 109.476 177.81 0.4320 21 O2 Oh S 7 5 4 1.446 108.761 -60.79 -0.6450 22 H2O Ho E 21 7 5 0.960 109.425 59.50 0.4150 LOOP O5 C1 DONE 1dD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.206 115.834 -131.52 -0.3880 5 C1 Cg B 4 3 2 1.420 137.550 -61.04 0.3800 6 H1 H1 E 5 4 3 1.090 110.275 104.94 0.0000 7 O4 Os S 5 4 3 1.562 109.004 -15.37 -0.4230 8 C4 Cg 3 7 5 4 1.588 112.912 -119.05 0.1890 9 H4 H1 E 8 7 5 1.091 107.600 104.77 0.0000 10 C5 Cg 3 8 7 5 1.537 110.486 -136.68 0.3050 11 H51 H1 E 10 8 7 1.090 110.600 57.42 0.0000 12 H52 H1 E 10 8 7 1.090 110.349 177.71 0.0000 13 O5 Oh S 10 8 7 1.438 108.908 -62.47 -0.6970 14 H5O Ho E 13 10 8 0.962 108.141 56.44 0.4140 15 C3 Cg 3 8 7 5 1.624 104.960 -9.27 0.2980 16 H3 H1 E 15 8 7 1.090 111.418 136.70 0.0000 17 O3 Oh S 15 8 7 1.446 109.315 -102.58 -0.6780 18 H3O Ho E 17 15 8 0.969 106.468 140.77 0.4170 19 C2 Cg B 15 8 7 1.641 106.916 15.19 0.2290 20 H2 H1 E 19 15 8 1.091 107.286 100.85 0.0000 21 O2 Oh S 19 15 8 1.459 112.998 -140.55 -0.6510 22 H2O Ho E 21 19 15 0.964 109.258 -171.53 0.4110 LOOP C2 C1 DONE 1dU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 33.015 116.507 -130.78 -0.3880 5 C1 Cg B 4 3 2 1.419 100.302 -54.90 0.4360 6 H1 H2 E 5 4 3 1.090 110.301 -7.45 0.0000 7 C2 Cg 3 5 4 3 1.640 113.439 -132.01 0.2840 8 H2 H1 E 7 5 4 1.089 110.427 110.40 0.0000 9 C3 Cg 3 7 5 4 1.642 106.290 -129.39 0.3000 10 H3 H1 E 9 7 5 1.091 107.886 -101.19 0.0000 11 C4 Cg 3 9 7 5 1.620 107.806 14.92 0.1350 12 H4 H1 E 11 9 7 1.091 108.974 -127.93 0.0000 13 C5 Cg 3 11 9 7 1.542 114.725 109.52 0.3730 14 H51 H1 E 13 11 9 1.090 109.887 61.57 0.0000 15 H52 H1 E 13 11 9 1.091 110.456 -58.00 0.0000 16 O5 Oh S 13 11 9 1.439 110.322 -178.69 -0.7250 17 H5O Ho E 16 13 11 0.959 109.321 -36.11 0.4180 18 O4 Os E 11 9 7 1.588 104.668 -11.75 -0.5170 19 O3 Oh S 9 7 5 1.446 112.188 139.89 -0.6420 20 H3O Ho E 19 9 7 0.970 106.239 -9.38 0.4050 21 O2 Oh S 7 5 4 1.464 111.148 -10.56 -0.6800 22 H2O Ho E 21 7 5 0.969 107.470 22.02 0.4070 LOOP O4 C1 DONE 1eA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.988 123.384 -139.16 -0.3880 5 C1 Cg B 4 3 2 1.434 89.120 170.51 0.4800 6 H1 H2 E 5 4 3 1.091 107.564 -8.71 0.0000 7 O5 Os S 5 4 3 1.482 111.794 -127.37 -0.5870 8 C5 Cg 3 7 5 4 1.485 118.529 -71.27 0.3740 9 H5 H1 E 8 7 5 1.092 108.827 62.09 0.0000 10 C6 Cg 3 8 7 5 1.535 107.746 -179.76 0.2590 11 H61 H1 E 10 8 7 1.091 110.727 55.96 0.0000 12 H62 H1 E 10 8 7 1.090 110.525 176.17 0.0000 13 O6 Oh S 10 8 7 1.434 108.916 -64.43 -0.6630 14 H6O Ho E 13 10 8 0.960 109.470 -59.69 0.4060 15 C4 Cg 3 8 7 5 1.541 107.816 -56.28 0.2610 16 H4 H1 E 15 8 7 1.091 108.456 -65.22 0.0000 17 O4 Oh S 15 8 7 1.439 109.886 177.28 -0.7210 18 H4O Ho E 17 15 8 0.960 109.412 -63.34 0.4150 19 C3 Cg 3 15 8 7 1.544 113.133 54.81 0.3280 20 H3 H1 E 19 15 8 1.091 109.843 -174.05 0.0000 21 O3 Oh S 19 15 8 1.442 110.012 67.08 -0.7140 22 H3O Ho E 21 19 15 0.960 109.461 179.72 0.4200 23 C2 Cg B 19 15 8 1.541 111.809 -51.50 0.1790 24 H2 H1 E 23 19 15 1.092 109.967 169.74 0.0000 25 O2 Oh S 23 19 15 1.437 107.327 -73.67 -0.6900 26 H2O Ho E 25 23 19 0.960 109.486 -178.36 0.4470 LOOP C2 C1 DONE 1eB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.278 116.024 -131.53 -0.3880 5 C1 Cg B 4 3 2 1.414 129.389 -53.78 0.4880 6 H1 H2 E 5 4 3 1.090 108.616 -14.42 0.0000 7 C2 Cg 3 5 4 3 1.560 110.470 -135.94 0.1840 8 H2 H1 E 7 5 4 1.091 109.457 66.19 0.0000 9 C3 Cg 3 7 5 4 1.540 108.887 -173.70 0.3150 10 H3 H1 E 9 7 5 1.091 109.473 176.26 0.0000 11 C4 Cg 3 9 7 5 1.554 111.264 55.47 0.3200 12 H4 H1 E 11 9 7 1.091 108.716 63.72 0.0000 13 C5 Cg 3 11 9 7 1.549 111.196 -55.77 0.2570 14 H5 H1 E 13 11 9 1.092 109.111 -65.44 0.0000 15 C6 Cg 3 13 11 9 1.541 112.018 174.42 0.2780 16 H61 H1 E 15 13 11 1.090 110.614 60.34 0.0000 17 H62 H1 E 15 13 11 1.091 110.136 -59.38 0.0000 18 O6 Oh S 15 13 11 1.439 109.977 -179.42 -0.6770 19 H6O Ho E 18 15 13 0.962 108.042 50.79 0.4080 20 O5 Os E 13 11 9 1.501 109.730 53.07 -0.5320 21 O4 Oh S 11 9 7 1.457 110.079 -178.65 -0.7240 22 H4O Ho E 21 11 9 0.964 110.039 -78.83 0.4200 23 O3 Oh S 9 7 5 1.454 108.210 -66.23 -0.6810 24 H3O Ho E 23 9 7 0.965 108.397 172.17 0.4030 25 O2 Oh S 7 5 4 1.463 112.571 -54.19 -0.6970 26 H2O Ho E 25 7 5 0.966 108.305 55.11 0.4320 LOOP O5 C1 DONE 1fA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.176 115.557 -131.45 -0.3880 5 C1 Cg B 4 3 2 1.431 140.316 -67.17 0.3990 6 H1 H2 E 5 4 3 1.090 108.523 116.59 0.0000 7 O5 Os S 5 4 3 1.472 106.355 0.06 -0.4940 8 C5 Cg 3 7 5 4 1.495 116.875 -70.96 0.1870 9 H5 H1 E 8 7 5 1.091 107.622 67.25 0.0000 10 C6 Cg 3 8 7 5 1.531 107.907 -177.50 0.0650 11 H61 Hc E 10 8 7 1.091 112.013 60.69 0.0000 12 H62 Hc E 10 8 7 1.091 111.136 -59.35 0.0000 13 H63 Hc E 10 8 7 1.090 111.280 -178.78 0.0000 14 C4 Cg 3 8 7 5 1.554 111.650 -50.04 0.2630 15 H4 H1 E 14 8 7 1.091 108.736 170.14 0.0000 16 O4 Oh S 14 8 7 1.452 110.366 -71.52 -0.7390 17 H4O Ho E 16 14 8 0.966 107.152 175.93 0.4470 18 C3 Cg 3 14 8 7 1.549 111.442 50.00 0.2280 19 H3 H1 E 18 14 8 1.091 108.535 63.68 0.0000 20 O3 Oh S 18 14 8 1.464 109.243 -179.40 -0.6930 21 H3O Ho E 20 18 14 0.965 108.720 -158.83 0.4260 22 C2 Cg B 18 14 8 1.550 109.944 -55.77 0.4560 23 H2 H1 E 22 18 14 1.091 109.004 -59.37 0.0000 24 O2 Oh S 22 18 14 1.463 111.178 -176.89 -0.8040 25 H2O Ho E 24 22 18 0.961 108.560 80.99 0.4530 LOOP C2 C1 DONE 1fB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.963 123.669 -139.62 -0.3880 5 C1 Cg B 4 3 2 1.434 141.378 -30.17 0.4180 6 H1 H2 E 5 4 3 1.091 108.663 22.06 0.0000 7 C2 Cg 3 5 4 3 1.545 108.452 -97.89 0.3460 8 H2 H1 E 7 5 4 1.092 110.063 -46.99 0.0000 9 C3 Cg 3 7 5 4 1.542 111.933 -169.61 0.2550 10 H3 H1 E 9 7 5 1.092 108.986 -69.25 0.0000 11 C4 Cg 3 9 7 5 1.542 112.898 50.54 0.2290 12 H4 H1 E 11 9 7 1.091 109.948 -175.33 0.0000 13 C5 Cg 3 11 9 7 1.543 109.625 -54.44 0.1060 14 H5 H1 E 13 11 9 1.092 108.258 -61.07 0.0000 15 C6 Cg 3 13 11 9 1.531 115.663 178.40 0.0920 16 H61 Hc E 15 13 11 1.091 111.160 177.14 0.0000 17 H62 Hc E 15 13 11 1.091 112.070 -62.71 0.0000 18 H63 Hc E 15 13 11 1.091 111.199 57.72 0.0000 19 O5 Os E 13 11 9 1.481 108.818 56.43 -0.4420 20 O4 Oh S 11 9 7 1.445 109.758 64.85 -0.6590 21 H4O Ho E 20 11 9 0.960 109.451 -179.30 0.4230 22 O3 Oh S 9 7 5 1.440 109.807 172.76 -0.6760 23 H3O Ho E 22 9 7 0.960 109.419 57.20 0.4270 24 O2 Oh S 7 5 4 1.439 107.580 72.10 -0.7650 25 H2O Ho E 24 7 5 0.960 109.418 -59.18 0.4400 LOOP O5 C1 DONE 1gA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.211 115.645 -131.37 -0.3880 5 C1 Cg B 4 3 2 1.420 101.201 131.48 0.5090 6 H1 H2 E 5 4 3 1.090 108.849 13.03 0.0000 7 O5 Os S 5 4 3 1.462 106.342 -104.14 -0.5740 8 C5 Cg 3 7 5 4 1.500 117.884 -69.40 0.2830 9 H5 H1 E 8 7 5 1.092 108.316 63.90 0.0000 10 C6 Cg 3 8 7 5 1.546 109.651 -177.94 0.2760 11 H61 H1 E 10 8 7 1.091 110.014 48.88 0.0000 12 H62 H1 E 10 8 7 1.090 110.682 168.12 0.0000 13 O6 Oh S 10 8 7 1.444 110.823 -72.03 -0.6820 14 H6O Ho E 13 10 8 0.960 109.735 -78.35 0.4180 15 C4 Cg 3 8 7 5 1.543 109.539 -53.99 0.2540 16 H4 H1 E 15 8 7 1.092 109.342 -68.48 0.0000 17 O4 Oh S 15 8 7 1.451 108.995 172.71 -0.7100 18 H4O Ho E 17 15 8 0.968 107.227 -172.23 0.4360 19 C3 Cg 3 15 8 7 1.547 111.254 52.54 0.2860 20 H3 H1 E 19 15 8 1.092 109.616 66.99 0.0000 21 O3 Oh S 19 15 8 1.452 108.604 -174.42 -0.6990 22 H3O Ho E 21 19 15 0.967 107.382 165.20 0.4270 23 C2 Cg B 19 15 8 1.543 112.114 -54.50 0.2460 24 H2 H1 E 23 19 15 1.091 108.373 -65.99 0.0000 25 O2 Oh S 23 19 15 1.465 110.086 176.46 -0.7130 26 H2O Ho E 25 23 19 0.967 109.170 -83.89 0.4370 LOOP C2 C1 DONE 1gB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.429 116.204 -131.81 -0.3880 5 C1 Cg B 4 3 2 1.419 129.140 -49.27 0.3840 6 H1 H2 E 5 4 3 1.091 109.169 -18.22 0.0000 7 C2 Cg 3 5 4 3 1.554 109.984 -140.30 0.3100 8 H2 H1 E 7 5 4 1.092 109.248 -50.06 0.0000 9 C3 Cg 3 7 5 4 1.545 110.380 -170.39 0.2840 10 H3 H1 E 9 7 5 1.092 109.008 -69.00 0.0000 11 C4 Cg 3 9 7 5 1.548 112.113 51.91 0.2760 12 H4 H1 E 11 9 7 1.092 109.378 67.39 0.0000 13 C5 Cg 3 11 9 7 1.543 111.306 -53.55 0.2250 14 H5 H1 E 13 11 9 1.092 109.126 -64.00 0.0000 15 C6 Cg 3 13 11 9 1.541 112.515 175.39 0.2820 16 H61 H1 E 15 13 11 1.090 110.609 61.43 0.0000 17 H62 H1 E 15 13 11 1.091 110.212 -58.37 0.0000 18 O6 Oh S 15 13 11 1.440 109.810 -178.39 -0.6880 19 H6O Ho E 18 15 13 0.962 108.265 53.10 0.4240 20 O5 Os E 13 11 9 1.495 108.909 54.04 -0.4710 21 O4 Oh S 11 9 7 1.448 109.104 -173.75 -0.7140 22 H4O Ho E 21 11 9 0.967 107.435 -50.50 0.4400 23 O3 Oh S 9 7 5 1.454 109.219 172.60 -0.7090 24 H3O Ho E 23 9 7 0.967 107.396 52.27 0.4320 25 O2 Oh S 7 5 4 1.458 110.080 69.27 -0.7180 26 H2O Ho E 25 7 5 0.966 108.053 -54.43 0.4370 LOOP O5 C1 DONE 1hA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.326 115.258 -131.33 -0.3880 5 C1 Cg B 4 3 2 1.424 136.483 -75.21 0.3940 6 H1 H2 E 5 4 3 1.090 108.213 120.96 0.0000 7 O5 Os S 5 4 3 1.473 107.892 3.71 -0.4610 8 C5 Cg 3 7 5 4 1.486 117.952 -72.26 0.2790 9 H5 H1 E 8 7 5 1.092 108.099 67.53 0.0000 10 C6 Cg 3 8 7 5 1.530 106.736 -176.09 0.0230 11 H61 Hc E 10 8 7 1.091 111.668 63.20 0.0000 12 H62 Hc E 10 8 7 1.091 111.314 -56.98 0.0000 13 H63 Hc E 10 8 7 1.090 111.509 -176.49 0.0000 14 C4 Cg 3 8 7 5 1.549 110.695 -51.67 0.1870 15 H4 H1 E 14 8 7 1.091 109.781 -68.51 0.0000 16 O4 Oh S 14 8 7 1.456 109.491 172.11 -0.6440 17 H4O Ho E 16 14 8 0.963 110.183 73.83 0.4050 18 C3 Cg 3 14 8 7 1.545 110.317 52.49 0.2360 19 H3 H1 E 18 14 8 1.092 108.830 64.14 0.0000 20 O3 Oh S 18 14 8 1.452 109.689 -178.23 -0.6490 21 H3O Ho E 20 18 14 0.965 106.808 -52.52 0.4250 22 C2 Cg B 18 14 8 1.545 112.380 -55.89 0.2480 23 H2 H1 E 22 18 14 1.091 109.364 174.25 0.0000 24 O2 Oh S 22 18 14 1.456 109.714 -67.50 -0.6700 25 H2O Ho E 24 22 18 0.965 106.818 -49.47 0.4210 LOOP C2 C1 DONE 1hB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 40.831 125.420 -152.62 -0.3880 5 C1 Cg B 4 3 2 1.435 146.079 -36.72 0.3810 6 H1 H2 E 5 4 3 1.091 107.762 -169.28 0.0000 7 C2 Cg 3 5 4 3 1.542 109.534 71.54 0.2430 8 H2 H1 E 7 5 4 1.091 110.263 58.64 0.0000 9 C3 Cg 3 7 5 4 1.542 108.951 179.63 0.1820 10 H3 H1 E 9 7 5 1.092 107.999 -65.80 0.0000 11 C4 Cg 3 9 7 5 1.543 112.684 54.72 0.3880 12 H4 H1 E 11 9 7 1.092 109.930 71.13 0.0000 13 C5 Cg 3 11 9 7 1.547 112.131 -51.25 0.1720 14 H5 H1 E 13 11 9 1.092 109.230 -69.17 0.0000 15 C6M Cg 3 13 11 9 1.530 114.214 169.13 0.0390 16 H3M Hc E 15 13 11 1.091 111.441 61.33 0.0000 17 H2M Hc E 15 13 11 1.091 111.709 -58.98 0.0000 18 H1M Hc E 15 13 11 1.091 111.297 -179.18 0.0000 19 O5 Os E 13 11 9 1.483 109.717 48.94 -0.4270 20 O4 Oh S 11 9 7 1.438 108.082 -169.72 -0.7280 21 H4O Ho E 20 11 9 0.960 109.440 -179.68 0.4320 22 O3 Oh S 9 7 5 1.440 109.222 177.05 -0.6650 23 H3O Ho E 22 9 7 0.960 109.425 178.23 0.4180 24 O2 Oh S 7 5 4 1.446 108.900 -61.17 -0.6730 25 H2O Ho E 24 7 5 0.960 109.408 -178.72 0.4320 LOOP O5 C1 DONE 1jA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140 5 O6 Os S 4 3 2 1.482 115.122 42.33 -0.5040 6 C6 Cg 3 5 4 3 1.489 118.583 -143.57 0.3680 7 H6A H1 E 6 5 4 1.091 108.585 71.14 0.0000 8 H6E H1 E 6 5 4 1.090 108.936 -171.67 0.0000 9 C5 Cg 3 6 5 4 1.541 111.422 -50.10 0.2730 10 H5 H1 E 9 6 5 1.091 109.320 -69.49 0.0000 11 O5 Oh S 9 6 5 1.453 108.662 172.04 -0.6990 12 H5O Ho E 11 9 6 0.965 108.090 -177.58 0.4190 13 C4 Cg 3 9 6 5 1.547 110.532 51.66 0.2810 14 H4 H1 E 13 9 6 1.091 108.842 63.65 0.0000 15 O4 Oh S 13 9 6 1.460 110.450 -178.37 -0.6720 16 H4O Ho E 15 13 9 0.964 109.388 -155.63 0.4130 17 C3 Cg B 13 9 6 1.550 111.417 -56.44 0.2710 18 H3 H1 E 17 13 9 1.091 109.045 176.24 0.0000 19 O3 Oh S 17 13 9 1.458 108.952 -66.09 -0.6540 20 H3O Ho E 19 17 13 0.966 107.634 -43.74 0.4250 21 C1 Cg M 4 3 2 1.562 37.871 133.82 0.4100 22 H11 H1 E 21 4 3 1.091 110.432 -44.43 0.0000 23 H12 H1 E 21 4 3 1.091 109.780 74.50 0.0000 24 O1 Os M 21 4 3 1.437 111.258 -165.16 -0.4450 LOOP C3 C2 DONE 1jB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130 5 C3 Cg 3 4 3 2 1.569 133.651 -166.33 0.3630 6 H3 H1 E 5 4 3 1.091 109.772 23.93 0.0000 7 C4 Cg 3 5 4 3 1.551 110.614 144.95 0.1550 8 H4 H1 E 7 5 4 1.090 108.392 -65.40 0.0000 9 C5 Cg 3 7 5 4 1.550 111.966 54.12 0.3740 10 H5 H1 E 9 7 5 1.091 109.534 68.96 0.0000 11 C6 Cg 3 9 7 5 1.547 111.895 -52.01 0.2920 12 H6A H1 E 11 9 7 1.091 110.065 -70.83 0.0000 13 H6E H1 E 11 9 7 1.090 109.985 170.44 0.0000 14 O6 Os E 11 9 7 1.484 111.063 49.63 -0.5510 15 O5 Oh S 9 7 5 1.455 108.361 -172.59 -0.7290 16 H5O Ho E 15 9 7 0.962 111.074 69.64 0.4260 17 O4 Oh S 7 5 4 1.459 109.947 177.92 -0.6840 18 H4O Ho E 17 7 5 0.968 109.165 -169.60 0.4380 19 O3 Oh S 5 4 3 1.461 111.127 -95.90 -0.7250 20 H3O Ho E 19 5 4 0.967 106.570 -171.29 0.4320 21 C1 Cg M 4 3 2 1.565 63.386 -70.64 0.2800 22 H11 H1 E 21 4 3 1.089 110.419 -177.38 0.0000 23 H12 H1 E 21 4 3 1.091 109.821 -59.25 0.0000 24 O1 Os M 21 4 3 1.444 112.820 62.20 -0.4840 LOOP O6 C2 DONE 1jD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920 5 O5 Os S 4 3 2 1.567 99.436 71.06 -0.4100 6 C5 Cg 3 5 4 3 1.585 113.292 149.88 0.1900 7 H5 H1 E 6 5 4 1.091 109.254 118.42 0.0000 8 C6 Cg 3 6 5 4 1.542 109.417 -121.68 0.3400 9 H61 H1 E 8 6 5 1.090 110.186 170.13 0.0000 10 H62 H1 E 8 6 5 1.090 110.250 50.63 0.0000 11 O6 Oh S 8 6 5 1.441 110.517 -70.42 -0.7250 12 H6O Ho E 11 8 6 0.959 110.296 -58.30 0.4250 13 C4 Cg 3 6 5 4 1.625 104.597 1.92 0.2330 14 H4 H1 E 13 6 5 1.090 107.076 101.60 0.0000 15 O4 Oh S 13 6 5 1.458 113.707 -139.62 -0.6710 16 H4O Ho E 15 13 6 0.965 110.086 -134.30 0.4140 17 C3 Cg B 13 6 5 1.642 107.375 -13.44 0.3930 18 H3 H1 E 17 13 6 1.091 111.073 142.12 0.0000 19 O3 Oh S 17 13 6 1.455 107.927 -98.38 -0.7480 20 H3O Ho E 19 17 13 0.969 106.278 -23.03 0.4460 21 C1 Cg M 4 3 2 1.554 16.572 -148.09 0.3890 22 H11 H1 E 21 4 3 1.091 110.219 17.52 0.0000 23 H12 H1 E 21 4 3 1.091 109.769 136.51 0.0000 24 O1 Os M 21 4 3 1.438 111.155 -103.20 -0.4680 LOOP C3 C2 DONE 1jU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510 5 C3 Cg 3 4 3 2 1.643 134.152 -137.11 0.2230 6 H3 H1 E 5 4 3 1.090 111.499 28.62 0.0000 7 C4 Cg 3 5 4 3 1.639 106.529 149.37 0.2840 8 H4 H1 E 7 5 4 1.091 107.844 -100.60 0.0000 9 C5 Cg 3 7 5 4 1.619 107.844 15.28 0.1000 10 H5 H1 E 9 7 5 1.089 109.205 -129.69 0.0000 11 C6 Cg 3 9 7 5 1.537 115.282 106.51 0.3490 12 H61 H1 E 11 9 7 1.090 111.054 58.46 0.0000 13 H62 H1 E 11 9 7 1.089 110.316 -62.25 0.0000 14 O6 Oh S 11 9 7 1.435 108.026 178.22 -0.6840 15 H6O Ho E 14 11 9 0.962 107.568 44.32 0.4110 16 O5 Os E 9 7 5 1.585 104.895 -12.75 -0.3890 17 O4 Oh S 7 5 4 1.442 112.118 140.35 -0.6570 18 H4O Ho E 17 7 5 0.969 105.977 -9.00 0.4100 19 O3 Oh S 5 4 3 1.460 110.322 -92.24 -0.6710 20 H3O Ho E 19 5 4 0.971 106.808 11.93 0.4160 21 C1 Cg M 4 3 2 1.554 41.375 -67.07 0.3330 22 H11 H1 E 21 4 3 1.090 109.574 170.02 0.0000 23 H12 H1 E 21 4 3 1.090 110.121 -71.39 0.0000 24 O1 Os M 21 4 3 1.448 111.622 49.66 -0.4760 LOOP O5 C2 DONE 1kA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.959 123.372 -138.94 -0.3880 5 C1 Cg B 4 3 2 1.439 89.600 174.62 0.4730 6 H1 H2 E 5 4 3 1.090 108.219 -9.20 0.0000 7 O5 Os S 5 4 3 1.481 111.363 -128.30 -0.5400 8 C5 Cg 3 7 5 4 1.489 117.370 -67.99 0.3010 9 H5 H1 E 8 7 5 1.092 108.051 60.66 0.0000 10 C6 Cg 3 8 7 5 1.535 108.811 177.23 0.2870 11 H61 H1 E 10 8 7 1.091 110.887 56.16 0.0000 12 H62 H1 E 10 8 7 1.090 110.246 176.37 0.0000 13 O6 Oh S 10 8 7 1.434 108.908 -64.18 -0.6910 14 H6O Ho E 13 10 8 0.960 109.471 -59.53 0.4220 15 C4 Cg 3 8 7 5 1.549 109.902 -56.18 0.1960 16 H4 H1 E 15 8 7 1.091 109.347 173.46 0.0000 17 O4 Oh S 15 8 7 1.440 109.315 -68.60 -0.7120 18 H4O Ho E 17 15 8 0.960 109.466 -58.47 0.4200 19 C3 Cg 3 15 8 7 1.541 113.058 50.90 0.3540 20 H3 H1 E 19 15 8 1.091 110.148 -170.51 0.0000 21 O3 Oh S 19 15 8 1.440 107.217 72.05 -0.7440 22 H3O Ho E 21 19 15 0.960 109.437 179.14 0.4360 23 C2 Cg B 19 15 8 1.544 111.196 -48.50 0.2810 24 H2 H1 E 23 19 15 1.091 106.696 -68.80 0.0000 25 O2 Oh S 23 19 15 1.439 110.836 175.80 -0.7160 26 H2O Ho E 25 23 19 0.960 109.409 -65.65 0.4270 LOOP C2 C1 DONE 1kB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.254 115.986 -131.69 -0.3880 5 C1 Cg B 4 3 2 1.416 130.159 -52.84 0.4490 6 H1 H2 E 5 4 3 1.091 109.369 -12.74 0.0000 7 C2 Cg 3 5 4 3 1.557 110.090 -135.28 0.3080 8 H2 H1 E 7 5 4 1.091 108.873 -51.31 0.0000 9 C3 Cg 3 7 5 4 1.547 110.415 -170.33 0.2530 10 H3 H1 E 9 7 5 1.091 109.195 174.71 0.0000 11 C4 Cg 3 9 7 5 1.545 111.988 53.40 0.2170 12 H4 H1 E 11 9 7 1.091 109.393 -172.98 0.0000 13 C5 Cg 3 11 9 7 1.553 111.117 -52.75 0.3030 14 H5 H1 E 13 11 9 1.092 107.789 -66.12 0.0000 15 C6 Cg 3 13 11 9 1.542 113.025 175.07 0.2590 16 H61 H1 E 15 13 11 1.090 110.096 53.77 0.0000 17 H62 H1 E 15 13 11 1.090 110.533 -65.83 0.0000 18 O6 Oh S 15 13 11 1.441 110.162 173.71 -0.6700 19 H6O Ho E 18 15 13 0.962 108.273 57.74 0.4160 20 O5 Os E 13 11 9 1.499 110.891 51.77 -0.5140 21 O4 Oh S 11 9 7 1.455 108.780 69.68 -0.7000 22 H4O Ho E 21 11 9 0.964 110.377 74.31 0.4250 23 O3 Oh S 9 7 5 1.452 110.271 -66.88 -0.7100 24 H3O Ho E 23 9 7 0.968 107.267 -52.72 0.4420 25 O2 Oh S 7 5 4 1.462 111.766 67.72 -0.7100 26 H2O Ho E 25 7 5 0.965 108.091 -56.20 0.4260 LOOP O5 C1 DONE 1lA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.874 123.487 -138.89 -0.3880 5 C1 Cg B 4 3 2 1.440 90.936 174.64 0.4650 6 H1 H2 E 5 4 3 1.090 108.300 -10.67 0.0000 7 O5 Os S 5 4 3 1.482 110.712 -129.56 -0.5270 8 C5 Cg 3 7 5 4 1.490 117.039 -67.67 0.2160 9 H5 H1 E 8 7 5 1.092 108.316 59.45 0.0000 10 C6 Cg 3 8 7 5 1.535 108.875 176.32 0.3080 11 H61 H1 E 10 8 7 1.091 110.918 55.87 0.0000 12 H62 H1 E 10 8 7 1.090 110.251 176.10 0.0000 13 O6 Oh S 10 8 7 1.434 108.858 -64.45 -0.6840 14 H6O Ho E 13 10 8 0.960 109.466 -59.52 0.4180 15 C4 Cg 3 8 7 5 1.544 109.289 -57.41 0.2040 16 H4 H1 E 15 8 7 1.091 109.671 175.54 0.0000 17 O4 Oh S 15 8 7 1.445 108.372 -65.83 -0.6730 18 H4O Ho E 17 15 8 0.960 109.470 -59.12 0.4360 19 C3 Cg 3 15 8 7 1.544 110.422 54.45 0.2530 20 H3 H1 E 19 15 8 1.091 108.559 66.00 0.0000 21 O3 Oh S 19 15 8 1.440 109.147 -176.39 -0.7010 22 H3O Ho E 21 19 15 0.960 109.438 -179.39 0.4330 23 C2 Cg B 19 15 8 1.541 111.714 -54.48 0.3390 24 H2 H1 E 23 19 15 1.091 108.995 -66.63 0.0000 25 O2 Oh S 23 19 15 1.440 110.049 175.31 -0.7240 26 H2O Ho E 25 23 19 0.960 109.415 -62.60 0.4310 LOOP C2 C1 DONE 1lB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.386 116.234 -131.80 -0.3880 5 C1 Cg B 4 3 2 1.424 129.364 -49.49 0.3740 6 H1 H2 E 5 4 3 1.091 108.838 -18.17 0.0000 7 C2 Cg 3 5 4 3 1.558 110.125 -139.37 0.3570 8 H2 H1 E 7 5 4 1.092 109.611 -49.59 0.0000 9 C3 Cg 3 7 5 4 1.547 110.130 -170.39 0.2590 10 H3 H1 E 9 7 5 1.092 108.676 -66.21 0.0000 11 C4 Cg 3 9 7 5 1.546 112.254 53.31 0.2030 12 H4 H1 E 11 9 7 1.091 109.260 -175.38 0.0000 13 C5 Cg 3 11 9 7 1.545 110.517 -55.04 0.1400 14 H5 H1 E 13 11 9 1.092 107.648 -63.90 0.0000 15 C6 Cg 3 13 11 9 1.539 113.155 176.88 0.3190 16 H61 H1 E 15 13 11 1.090 110.337 53.86 0.0000 17 H62 H1 E 15 13 11 1.091 110.848 -66.38 0.0000 18 O6 Oh S 15 13 11 1.437 109.027 173.44 -0.6930 19 H6O Ho E 18 15 13 0.961 107.830 58.33 0.4190 20 O5 Os E 13 11 9 1.495 110.103 53.62 -0.4020 21 O4 Oh S 11 9 7 1.449 109.638 65.91 -0.6640 22 H4O Ho E 21 11 9 0.967 107.158 51.40 0.4370 23 O3 Oh S 9 7 5 1.455 110.815 175.60 -0.6940 24 H3O Ho E 23 9 7 0.967 107.449 52.82 0.4330 25 O2 Oh S 7 5 4 1.459 109.860 69.90 -0.7260 26 H2O Ho E 25 7 5 0.965 107.724 -55.10 0.4320 LOOP O5 C1 DONE 1mA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.148 115.693 -131.37 -0.3880 5 C1 Cg B 4 3 2 1.421 104.982 126.81 0.4330 6 H1 H2 E 5 4 3 1.090 108.505 11.14 0.0000 7 O5 Os S 5 4 3 1.470 107.161 -106.14 -0.5070 8 C5 Cg 3 7 5 4 1.497 118.408 -72.54 0.2760 9 H5 H1 E 8 7 5 1.092 108.020 67.79 0.0000 10 C6 Cg 3 8 7 5 1.544 109.404 -174.23 0.2660 11 H61 H1 E 10 8 7 1.091 110.051 50.51 0.0000 12 H62 H1 E 10 8 7 1.090 110.579 169.68 0.0000 13 O6 Oh S 10 8 7 1.444 110.952 -70.49 -0.6880 14 H6O Ho E 13 10 8 0.960 109.923 -72.72 0.4220 15 C4 Cg 3 8 7 5 1.546 110.394 -50.35 0.3260 16 H4 H1 E 15 8 7 1.091 109.924 -69.18 0.0000 17 O4 Oh S 15 8 7 1.452 108.824 171.70 -0.7330 18 H4O Ho E 17 15 8 0.966 107.267 -173.46 0.4380 19 C3 Cg 3 15 8 7 1.549 110.605 52.31 0.2520 20 H3 H1 E 19 15 8 1.092 108.663 62.49 0.0000 21 O3 Oh S 19 15 8 1.461 110.813 -179.59 -0.6960 22 H3O Ho E 21 19 15 0.964 109.699 -161.58 0.4310 23 C2 Cg B 19 15 8 1.545 111.609 -57.15 0.2450 24 H2 H1 E 23 19 15 1.091 109.207 175.17 0.0000 25 O2 Oh S 23 19 15 1.459 109.731 -66.73 -0.7170 26 H2O Ho E 25 23 19 0.965 108.621 -45.43 0.4460 LOOP C2 C1 DONE 1mB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.260 116.057 -131.92 -0.3880 5 C1 Cg B 4 3 2 1.424 134.716 -50.08 0.3140 6 H1 H2 E 5 4 3 1.091 108.222 -21.70 0.0000 7 C2 Cg 3 5 4 3 1.554 110.494 -142.36 0.2410 8 H2 H1 E 7 5 4 1.091 109.830 61.19 0.0000 9 C3 Cg 3 7 5 4 1.547 107.300 -179.17 0.2630 10 H3 H1 E 9 7 5 1.092 107.890 -58.13 0.0000 11 C4 Cg 3 9 7 5 1.553 110.623 60.52 0.3490 12 H4 H1 E 11 9 7 1.091 109.997 63.90 0.0000 13 C5 Cg 3 11 9 7 1.550 110.419 -57.43 0.2060 14 H5 H1 E 13 11 9 1.092 108.705 -67.76 0.0000 15 C6 Cg 3 13 11 9 1.539 111.873 172.30 0.2730 16 H61 H1 E 15 13 11 1.090 110.558 59.60 0.0000 17 H62 H1 E 15 13 11 1.091 110.262 -60.18 0.0000 18 O6 Oh S 15 13 11 1.439 109.850 179.68 -0.6800 19 H6O Ho E 18 15 13 0.962 108.414 55.86 0.4190 20 O5 Os E 13 11 9 1.498 110.843 50.51 -0.3930 21 O4 Oh S 11 9 7 1.452 109.624 -176.73 -0.7460 22 H4O Ho E 21 11 9 0.963 108.380 -79.71 0.4430 23 O3 Oh S 9 7 5 1.457 110.746 -174.70 -0.6920 24 H3O Ho E 23 9 7 0.962 109.624 154.41 0.4300 25 O2 Oh S 7 5 4 1.459 109.767 -58.73 -0.6640 26 H2O Ho E 25 7 5 0.964 107.524 55.50 0.4310 LOOP O5 C1 DONE 1nA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.953 123.305 -139.13 -0.3880 5 C1 Cg B 4 3 2 1.438 87.673 169.94 0.4780 6 H1 H2 E 5 4 3 1.090 108.227 -10.84 0.0000 7 O5 Os S 5 4 3 1.480 111.233 -129.85 -0.6110 8 C5 Cg 3 7 5 4 1.489 118.545 -70.32 0.4040 9 H5 H1 E 8 7 5 1.092 108.618 64.36 0.0000 10 C6 Cg 3 8 7 5 1.535 107.673 -177.70 0.2800 11 H61 H1 E 10 8 7 1.091 110.668 56.63 0.0000 12 H62 H1 E 10 8 7 1.090 110.540 176.79 0.0000 13 O6 Oh S 10 8 7 1.434 109.011 -63.74 -0.6630 14 H6O Ho E 13 10 8 0.960 109.493 -59.88 0.3960 15 C4 Cg 3 8 7 5 1.545 108.589 -54.12 0.1670 16 H4 H1 E 15 8 7 1.091 108.424 -67.01 0.0000 17 O4 Oh S 15 8 7 1.439 109.651 175.64 -0.7330 18 H4O Ho E 17 15 8 0.960 109.442 -61.75 0.4440 19 C3 Cg 3 15 8 7 1.543 113.659 53.11 0.3300 20 H3 H1 E 19 15 8 1.091 110.022 -173.93 0.0000 21 O3 Oh S 19 15 8 1.445 109.798 66.31 -0.7140 22 H3O Ho E 21 19 15 0.960 109.446 64.20 0.4410 23 C2 Cg B 19 15 8 1.541 108.602 -53.52 0.2280 24 H2 H1 E 23 19 15 1.091 106.837 -65.32 0.0000 25 O2 Oh S 23 19 15 1.439 110.703 179.06 -0.6680 26 H2O Ho E 25 23 19 0.960 109.386 -64.03 0.4150 LOOP C2 C1 DONE 1nB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.328 116.003 -131.70 -0.3880 5 C1 Cg B 4 3 2 1.417 130.141 -52.15 0.4220 6 H1 H2 E 5 4 3 1.092 109.299 -15.03 0.0000 7 C2 Cg 3 5 4 3 1.558 109.978 -137.36 0.3010 8 H2 H1 E 7 5 4 1.093 108.885 -50.70 0.0000 9 C3 Cg 3 7 5 4 1.544 110.844 -169.64 0.2340 10 H3 H1 E 9 7 5 1.092 109.398 175.17 0.0000 11 C4 Cg 3 9 7 5 1.546 109.920 54.68 0.2860 12 H4 H1 E 11 9 7 1.091 108.699 62.12 0.0000 13 C5 Cg 3 11 9 7 1.547 111.303 -57.50 0.1980 14 H5 H1 E 13 11 9 1.091 109.233 -61.92 0.0000 15 C6 Cg 3 13 11 9 1.541 112.741 177.70 0.3130 16 H61 H1 E 15 13 11 1.090 110.689 61.33 0.0000 17 H62 H1 E 15 13 11 1.090 110.338 -58.85 0.0000 18 O6 Oh S 15 13 11 1.438 109.178 -178.76 -0.6890 19 H6O Ho E 18 15 13 0.962 107.694 47.58 0.4180 20 O5 Os E 13 11 9 1.500 108.536 56.16 -0.5070 21 O4 Oh S 11 9 7 1.447 109.608 179.74 -0.7070 22 H4O Ho E 21 11 9 0.966 108.053 38.89 0.4300 23 O3 Oh S 9 7 5 1.458 109.599 -65.98 -0.6150 24 H3O Ho E 23 9 7 0.967 107.516 -48.26 0.3890 25 O2 Oh S 7 5 4 1.458 111.714 68.34 -0.7030 26 H2O Ho E 25 7 5 0.966 108.382 -58.42 0.4240 LOOP O5 C1 DONE 1oA INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.164 115.729 -131.66 -0.3880 5 C1 Cg B 4 3 2 1.432 100.795 128.11 0.3050 6 H1 H2 E 5 4 3 1.090 108.553 13.70 0.0000 7 O5 Os S 5 4 3 1.471 106.242 -102.88 -0.4240 8 C5 Cg 3 7 5 4 1.515 118.146 -74.79 0.0540 9 H5 H1 E 8 7 5 1.092 107.817 65.63 0.0000 10 C6 C B 8 7 5 1.566 116.761 -173.10 0.8960 11 O6B O2 E 10 8 7 1.255 117.285 49.97 -0.8220 12 O6A O2 E 10 8 7 1.252 116.529 -135.07 -0.8220 13 C4 Cg 3 8 7 5 1.540 109.060 -52.35 0.2670 14 H4 H1 E 13 8 7 1.091 109.560 176.88 0.0000 15 O4 Oh S 13 8 7 1.455 107.562 -64.91 -0.7040 16 H4O Ho E 15 13 8 0.981 106.629 -34.53 0.4290 17 C3 Cg 3 13 8 7 1.551 109.735 56.67 0.2510 18 H3 H1 E 17 13 8 1.092 108.010 56.95 0.0000 19 O3 Oh S 17 13 8 1.460 111.816 174.01 -0.7250 20 H3O Ho E 19 17 13 0.964 107.278 157.34 0.4160 21 C2 Cg B 17 13 8 1.548 110.284 -61.11 0.4130 22 H2 H1 E 21 17 13 1.091 109.347 -64.48 0.0000 23 O2 Oh S 21 17 13 1.464 110.220 176.88 -0.7710 24 H2O Ho E 23 21 17 0.966 105.614 -87.16 0.4310 LOOP C2 C1 DONE 1oB INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.273 116.184 -131.78 -0.3880 5 C1 Cg B 4 3 2 1.422 130.787 -52.46 0.3010 6 H1 H2 E 5 4 3 1.091 108.944 -16.17 0.0000 7 C2 Cg 3 5 4 3 1.559 111.070 -137.95 0.3830 8 H2 H1 E 7 5 4 1.091 109.614 -45.93 0.0000 9 C3 Cg 3 7 5 4 1.553 110.962 -166.99 0.2590 10 H3 H1 E 9 7 5 1.092 108.228 -67.30 0.0000 11 C4 Cg 3 9 7 5 1.548 111.733 51.56 0.2600 12 H4 H1 E 11 9 7 1.091 108.447 -176.52 0.0000 13 C5 Cg 3 11 9 7 1.538 110.856 -55.81 0.0490 14 H5 H1 E 13 11 9 1.092 107.135 -59.52 0.0000 15 C6 C B 13 11 9 1.574 110.283 -172.73 0.8380 16 O6A O2 E 15 13 11 1.254 118.706 -136.36 -0.7940 17 O6B O2 E 15 13 11 1.256 116.247 49.13 -0.7940 18 O5 Os E 13 11 9 1.506 109.239 55.41 -0.4140 19 O4 Oh S 11 9 7 1.450 109.430 65.27 -0.6610 20 H4O Ho E 19 11 9 0.961 107.547 51.96 0.4020 21 O3 Oh S 9 7 5 1.466 112.472 174.09 -0.7080 22 H3O Ho E 21 9 7 0.961 109.065 156.60 0.4040 23 O2 Oh S 7 5 4 1.460 107.566 72.28 -0.7320 24 H2O Ho E 23 7 5 0.962 106.473 -54.35 0.4010 LOOP O5 C1 DONE 1pA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170 5 O6 Os S 4 3 2 1.488 134.068 95.67 -0.5980 6 C6 Cg 3 5 4 3 1.482 118.332 -161.65 0.3930 7 H6A H1 E 6 5 4 1.091 109.250 66.45 0.0000 8 H6E H1 E 6 5 4 1.090 109.091 -175.40 0.0000 9 C5 Cg 3 6 5 4 1.536 109.077 -54.75 0.1530 10 H5 H1 E 9 6 5 1.091 108.321 -65.28 0.0000 11 O5 Oh S 9 6 5 1.437 108.893 177.77 -0.6930 12 H5O Ho E 11 9 6 0.960 109.495 178.45 0.4280 13 C4 Cg 3 9 6 5 1.541 113.177 55.00 0.3940 14 H4 H1 E 13 9 6 1.091 110.012 -174.96 0.0000 15 O4 Oh S 13 9 6 1.445 109.714 65.32 -0.7020 16 H4O Ho E 15 13 9 0.960 109.435 -179.19 0.4320 17 C3 Cg B 13 9 6 1.543 108.511 -54.52 0.1500 18 H3 H1 E 17 13 9 1.091 106.088 -66.29 0.0000 19 O3 Oh S 17 13 9 1.441 110.125 178.95 -0.6650 20 H3O Ho E 19 17 13 0.960 109.411 -65.90 0.4090 21 C1 Cg M 4 3 2 1.541 32.225 137.95 0.3270 22 H11 H1 E 21 4 3 1.091 110.426 -89.86 0.0000 23 H12 H1 E 21 4 3 1.091 110.581 29.73 0.0000 24 O1 Os M 21 4 3 1.436 110.176 150.08 -0.4450 LOOP C3 C2 DONE 1pB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070 5 C3 Cg 3 4 3 2 1.562 136.654 -159.34 0.1800 6 H3 H1 E 5 4 3 1.092 107.885 -98.54 0.0000 7 C4 Cg 3 5 4 3 1.548 113.222 144.34 0.3280 8 H4 H1 E 7 5 4 1.091 109.035 170.62 0.0000 9 C5 Cg 3 7 5 4 1.546 111.648 50.00 0.1880 10 H5 H1 E 9 7 5 1.091 108.531 65.60 0.0000 11 C6 Cg 3 9 7 5 1.540 111.137 -53.12 0.3640 12 H6A H1 E 11 9 7 1.091 110.957 -65.43 0.0000 13 H6E H1 E 11 9 7 1.090 110.095 174.89 0.0000 14 O6 Os E 11 9 7 1.483 108.996 55.37 -0.5400 15 O5 Oh S 9 7 5 1.454 110.567 -176.42 -0.7050 16 H5O Ho E 15 9 7 0.967 108.400 37.89 0.4330 17 O4 Oh S 7 5 4 1.453 109.303 -71.38 -0.6980 18 H4O Ho E 17 7 5 0.967 106.113 -55.83 0.4270 19 O3 Oh S 5 4 3 1.462 112.137 18.93 -0.6810 20 H3O Ho E 19 5 4 0.967 108.335 -65.45 0.4220 21 C1 Cg M 4 3 2 1.572 55.875 -67.58 0.3790 22 H11 H1 E 21 4 3 1.088 110.382 170.92 0.0000 23 H12 H1 E 21 4 3 1.091 110.003 -70.52 0.0000 24 O1 Os M 21 4 3 1.452 112.720 50.63 -0.5040 LOOP O6 C2 DONE 1pD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240 5 O5 Os S 4 3 2 1.578 107.245 118.43 -0.4530 6 C5 Cg 3 5 4 3 1.580 112.574 125.89 0.1940 7 H5 H1 E 6 5 4 1.092 109.225 119.03 0.0000 8 C6 Cg 3 6 5 4 1.529 108.517 -121.64 0.2910 9 H61 H1 E 8 6 5 1.090 110.281 176.00 0.0000 10 H62 H1 E 8 6 5 1.091 110.695 55.73 0.0000 11 O6 Oh S 8 6 5 1.433 108.604 -64.48 -0.6950 12 H6O Ho E 11 8 6 0.960 109.454 -59.02 0.4110 13 C4 Cg 3 6 5 4 1.626 105.532 -0.49 0.2820 14 H4 H1 E 13 6 5 1.091 112.773 -134.13 0.0000 15 O4 Oh S 13 6 5 1.437 105.885 105.93 -0.6830 16 H4O Ho E 15 13 6 0.960 109.464 -177.78 0.4210 17 C3 Cg B 13 6 5 1.629 106.867 -10.85 0.3340 18 H3 H1 E 17 13 6 1.090 106.567 -97.07 0.0000 19 O3 Oh S 17 13 6 1.441 113.670 145.25 -0.6610 20 H3O Ho E 19 17 13 0.960 109.502 57.68 0.4150 21 C1 Cg M 4 3 2 1.533 11.296 11.27 0.2860 22 H11 H1 E 21 4 3 1.091 110.553 139.19 0.0000 23 H12 H1 E 21 4 3 1.091 110.436 -100.78 0.0000 24 O1 Os M 21 4 3 1.434 109.386 19.30 -0.4660 LOOP C3 C2 DONE 1pU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880 5 C3 Cg 3 4 3 2 1.631 108.524 -109.61 0.3340 6 H3 H1 E 5 4 3 1.091 109.543 -74.21 0.0000 7 C4 Cg 3 5 4 3 1.631 107.756 169.64 0.1920 8 H4 H1 E 7 5 4 1.091 111.099 133.10 0.0000 9 C5 Cg 3 7 5 4 1.623 107.338 10.25 0.3690 10 H5 H1 E 9 7 5 1.092 111.285 -129.81 0.0000 11 C6 Cg 3 9 7 5 1.529 112.798 106.76 0.2150 12 H61 H1 E 11 9 7 1.090 110.301 60.35 0.0000 13 H62 H1 E 11 9 7 1.091 110.659 -59.91 0.0000 14 O6 Oh S 11 9 7 1.433 108.649 179.93 -0.6780 15 H6O Ho E 14 11 9 0.960 109.500 -58.51 0.4210 16 O5 Os E 9 7 5 1.576 105.494 -11.41 -0.4800 17 O4 Oh S 7 5 4 1.438 110.850 -105.23 -0.7110 18 H4O Ho E 17 7 5 0.960 109.445 -179.82 0.4380 19 O3 Oh S 5 4 3 1.441 112.255 44.83 -0.7140 20 H3O Ho E 19 5 4 0.960 109.493 177.90 0.4240 21 C1 Cg M 4 3 2 1.541 49.994 0.67 0.3650 22 H11 H1 E 21 4 3 1.090 109.918 -145.53 0.0000 23 H12 H1 E 21 4 3 1.091 110.660 -26.12 0.0000 24 O1 Os M 21 4 3 1.437 110.203 94.77 -0.4630 LOOP O5 C2 DONE 1qA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.217 115.483 -131.49 -0.3880 5 C1 Cg B 4 3 2 1.425 142.770 -70.39 0.4650 6 H1 H1 E 5 4 3 1.090 108.529 118.99 0.0000 7 O5 Os S 5 4 3 1.467 106.521 2.25 -0.5590 8 C5 Cg 3 7 5 4 1.487 117.291 -68.26 0.2340 9 H5 H1 E 8 7 5 1.092 108.269 65.21 0.0000 10 C6 Cg 3 8 7 5 1.531 106.976 -178.31 0.0600 11 H61 Hc E 10 8 7 1.091 111.279 -57.12 0.0000 12 H62 Hc E 10 8 7 1.091 111.508 -176.59 0.0000 13 H63 Hc E 10 8 7 1.091 111.703 63.05 0.0000 14 C4 Cg 3 8 7 5 1.546 110.112 -53.83 0.2080 15 H4 H1 E 14 8 7 1.092 109.076 -69.57 0.0000 16 O4 Oh S 14 8 7 1.456 108.902 171.97 -0.6640 17 H4O Ho E 16 14 8 0.963 110.329 76.40 0.4030 18 C3 Cg 3 14 8 7 1.550 111.848 51.22 0.3120 19 H3 H1 E 18 14 8 1.092 109.484 68.56 0.0000 20 O3 Oh S 18 14 8 1.451 107.191 -173.73 -0.6970 21 H3O Ho E 20 18 14 0.963 107.525 -56.57 0.4240 22 C2 Cg B 18 14 8 1.550 112.115 -52.85 0.2810 23 H2 H1 E 22 18 14 1.091 108.369 -65.92 0.0000 24 O2 Oh S 22 18 14 1.464 112.236 175.32 -0.6950 25 H2O Ho E 24 22 18 0.963 109.360 -65.35 0.4220 LOOP C2 C1 DONE 1qB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.342 115.963 -131.61 -0.3880 5 C1 Cg B 4 3 2 1.414 134.140 -50.67 0.3910 6 H1 H1 E 5 4 3 1.091 109.567 -13.80 0.0000 7 C2 Cg 3 5 4 3 1.554 110.459 -136.68 0.3230 8 H2 H1 E 7 5 4 1.092 109.276 -50.00 0.0000 9 C3 Cg 3 7 5 4 1.546 109.870 -170.12 0.3000 10 H3 H1 E 9 7 5 1.092 108.841 -69.08 0.0000 11 C4 Cg 3 9 7 5 1.549 112.577 51.86 0.2500 12 H4 H1 E 11 9 7 1.092 109.316 68.82 0.0000 13 C5 Cg 3 11 9 7 1.548 111.410 -52.00 0.2710 14 H5 H1 E 13 11 9 1.092 109.263 -66.11 0.0000 15 C6 Cg 3 13 11 9 1.530 114.065 172.27 0.0480 16 H61 Hc E 15 13 11 1.091 111.262 -178.50 0.0000 17 H62 Hc E 15 13 11 1.091 111.509 62.03 0.0000 18 H63 Hc E 15 13 11 1.091 111.710 -58.34 0.0000 19 O5 Os E 13 11 9 1.486 109.336 52.29 -0.5350 20 O4 Oh S 11 9 7 1.451 109.144 -172.28 -0.7130 21 H4O Ho E 20 11 9 0.966 107.748 -53.29 0.4210 22 O3 Oh S 9 7 5 1.454 109.133 172.74 -0.6890 23 H3O Ho E 22 9 7 0.966 107.391 52.07 0.4200 24 O2 Oh S 7 5 4 1.460 110.327 69.51 -0.7130 25 H2O Ho E 24 7 5 0.966 107.987 -53.85 0.4200 LOOP O5 C1 DONE 1rA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.824 123.359 -139.20 -0.3880 5 C1 Cg B 4 3 2 1.438 100.330 167.70 0.4880 6 H1 H2 E 5 4 3 1.090 108.216 -15.90 0.0000 7 O5 Os S 5 4 3 1.483 111.189 -134.85 -0.5610 8 C5 Cg 3 7 5 4 1.483 117.768 -70.77 0.3770 9 H5A H1 E 8 7 5 1.091 109.204 66.57 0.0000 10 H5E H1 E 8 7 5 1.090 109.080 -175.36 0.0000 11 C4 Cg 3 8 7 5 1.537 109.246 -54.64 0.1220 12 H4 H1 E 11 8 7 1.091 108.264 -65.95 0.0000 13 O4 Oh S 11 8 7 1.437 108.837 177.17 -0.6630 14 H4O Ho E 13 11 8 0.960 109.433 -61.56 0.4190 15 C3 Cg 3 11 8 7 1.542 113.340 54.31 0.3450 16 H3 H1 E 15 11 8 1.091 110.108 -174.25 0.0000 17 O3 Oh S 15 11 8 1.445 109.754 65.90 -0.7370 18 H3O Ho E 17 15 11 0.960 109.441 63.11 0.4430 19 C2 Cg B 15 11 8 1.542 108.334 -53.79 0.2530 20 H2 H1 E 19 15 11 1.091 106.798 -65.63 0.0000 21 O2 Oh S 19 15 11 1.439 110.674 178.86 -0.7110 22 H2O Ho E 21 19 15 0.960 109.367 -64.08 0.4190 LOOP C2 C1 DONE 1rB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.363 116.187 -131.45 -0.3880 5 C1 Cg B 4 3 2 1.414 125.517 -54.84 0.4810 6 H1 H2 E 5 4 3 1.090 109.546 -14.89 0.0000 7 C2 Cg 3 5 4 3 1.563 110.782 -138.57 0.3850 8 H2 H1 E 7 5 4 1.092 108.121 -54.00 0.0000 9 C3 Cg 3 7 5 4 1.550 109.259 -171.36 0.2030 10 H3 H1 E 9 7 5 1.091 109.709 178.53 0.0000 11 C4 Cg 3 9 7 5 1.548 108.635 58.66 0.2360 12 H4 H1 E 11 9 7 1.091 108.914 60.36 0.0000 13 C5 Cg 3 11 9 7 1.549 110.878 -58.91 0.3350 14 H5A H1 E 13 11 9 1.091 110.751 -65.58 0.0000 15 H5E H1 E 13 11 9 1.090 110.011 175.14 0.0000 16 O5 Os E 13 11 9 1.488 109.926 55.20 -0.5760 17 O4 Oh S 11 9 7 1.453 110.299 178.35 -0.6950 18 H4O Ho E 17 11 9 0.963 110.348 -71.99 0.4110 19 O3 Oh S 9 7 5 1.460 111.251 -60.93 -0.6960 20 H3O Ho E 19 9 7 0.965 108.989 176.00 0.4280 21 O2 Oh S 7 5 4 1.459 113.253 64.27 -0.7320 22 H2O Ho E 21 7 5 0.963 108.588 -45.68 0.4140 LOOP O5 C1 DONE 1rD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.070 115.367 -131.63 -0.3880 5 C1 Cg B 4 3 2 1.418 77.106 146.83 0.4450 6 H1 H2 E 5 4 3 1.090 111.449 19.23 0.0000 7 O4 Os S 5 4 3 1.561 104.070 -101.04 -0.5130 8 C4 Cg 3 7 5 4 1.590 113.384 -103.19 0.3270 9 H4 H1 E 8 7 5 1.091 109.128 114.99 0.0000 10 C5 Cg 3 8 7 5 1.540 110.745 -124.36 0.1950 11 H51 H1 E 10 8 7 1.090 109.790 172.36 0.0000 12 H52 H1 E 10 8 7 1.090 109.854 53.62 0.0000 13 O5 Oh S 10 8 7 1.441 111.480 -67.27 -0.6670 14 H5O Ho E 13 10 8 0.961 110.927 -63.80 0.4080 15 C3 Cg 3 8 7 5 1.627 104.801 -3.59 0.2750 16 H3 H1 E 15 8 7 1.090 111.845 -130.65 0.0000 17 O3 Oh S 15 8 7 1.452 108.122 109.49 -0.7390 18 H3O Ho E 17 15 8 0.969 108.678 -102.78 0.4380 19 C2 Cg B 15 8 7 1.641 107.074 -9.06 0.3180 20 H2 H1 E 19 15 8 1.090 106.590 -95.30 0.0000 21 O2 Oh S 19 15 8 1.461 113.571 147.17 -0.7090 22 H2O Ho E 21 19 15 0.962 110.320 57.03 0.4160 LOOP C2 C1 DONE 1rU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.149 115.597 -132.41 -0.3880 5 C1 Cg B 4 3 2 1.420 151.818 -39.08 0.3780 6 H1 H1 E 5 4 3 1.091 110.180 -22.05 0.0000 7 C2 Cg 3 5 4 3 1.633 109.458 -147.05 0.2930 8 H2 H1 E 7 5 4 1.091 111.731 16.78 0.0000 9 C3 Cg 3 7 5 4 1.643 106.357 -103.75 0.2890 10 H3 H1 E 9 7 5 1.091 108.114 103.55 0.0000 11 C4 Cg 3 9 7 5 1.616 107.735 -14.49 0.1020 12 H4 H1 E 11 9 7 1.091 109.546 -104.49 0.0000 13 C5 Cg 3 11 9 7 1.534 112.497 133.15 0.3380 14 H51 H1 E 13 11 9 1.090 110.394 -65.27 0.0000 15 H52 H1 E 13 11 9 1.090 110.006 54.34 0.0000 16 O5 Oh S 13 11 9 1.436 109.887 174.05 -0.6920 17 H5O Ho E 16 13 11 0.959 109.586 -178.63 0.4150 18 O4 Os E 11 9 7 1.587 104.949 11.40 -0.4240 19 O3 Oh S 9 7 5 1.443 112.608 -136.62 -0.6830 20 H3O Ho E 19 9 7 0.968 106.484 22.47 0.4280 21 O2 Oh S 7 5 4 1.462 109.045 136.95 -0.6700 22 H2O Ho E 21 7 5 0.963 109.628 -69.88 0.4200 LOOP O4 C1 DONE 1tA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.829 123.510 -138.93 -0.3880 5 C1 Cg B 4 3 2 1.435 92.526 172.41 0.4560 6 H1 H2 E 5 4 3 1.091 107.643 -10.93 0.0000 7 O5 Os S 5 4 3 1.485 111.866 -129.79 -0.4800 8 C5 Cg 3 7 5 4 1.488 117.752 -68.84 0.1570 9 H5 H1 E 8 7 5 1.092 108.168 59.67 0.0000 10 C6 Cg 3 8 7 5 1.535 108.822 176.46 0.3040 11 H61 H1 E 10 8 7 1.091 110.896 55.84 0.0000 12 H62 H1 E 10 8 7 1.090 110.263 176.07 0.0000 13 O6 Oh S 10 8 7 1.434 108.863 -64.48 -0.6690 14 H6O Ho E 13 10 8 0.960 109.462 -59.57 0.4010 15 C4 Cg 3 8 7 5 1.544 109.541 -57.17 0.4340 16 H4 H1 E 15 8 7 1.091 109.540 173.93 0.0000 17 O4 Oh S 15 8 7 1.443 109.067 -67.36 -0.7310 18 H4O Ho E 17 15 8 0.960 109.459 -59.56 0.4170 19 C3 Cg 3 15 8 7 1.543 109.739 53.52 0.1240 20 H3 H1 E 19 15 8 1.091 106.734 65.74 0.0000 21 O3 Oh S 19 15 8 1.439 110.707 -178.75 -0.6870 22 H3O Ho E 21 19 15 0.960 109.479 -176.63 0.4420 23 C2 Cg B 19 15 8 1.545 114.910 -52.34 0.2450 24 H2 H1 E 23 19 15 1.091 109.723 171.12 0.0000 25 O2 Oh S 23 19 15 1.440 110.347 -69.94 -0.6550 26 H2O Ho E 25 23 19 0.960 109.490 -179.95 0.4360 LOOP C2 C1 DONE 1tB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 37.961 123.756 -139.67 -0.3880 5 C1 Cg B 4 3 2 1.435 138.258 -29.53 0.3060 6 H1 H2 E 5 4 3 1.091 107.525 19.19 0.0000 7 C2 Cg 3 5 4 3 1.544 109.741 -99.49 0.3400 8 H2 H1 E 7 5 4 1.091 110.012 61.64 0.0000 9 C3 Cg 3 7 5 4 1.545 108.990 -177.73 0.1740 10 H3 H1 E 9 7 5 1.091 106.777 -66.52 0.0000 11 C4 Cg 3 9 7 5 1.547 114.890 51.64 0.3140 12 H4 H1 E 11 9 7 1.091 109.570 -171.49 0.0000 13 C5 Cg 3 11 9 7 1.547 110.218 -50.96 0.0310 14 H5 H1 E 13 11 9 1.092 107.394 -65.47 0.0000 15 C6 Cg 3 13 11 9 1.535 115.137 174.64 0.3490 16 H61 H1 E 15 13 11 1.090 110.278 53.24 0.0000 17 H62 H1 E 15 13 11 1.091 110.886 -67.01 0.0000 18 O6 Oh S 15 13 11 1.434 108.837 172.73 -0.6660 19 H6O Ho E 18 15 13 0.960 109.430 59.34 0.4060 20 O5 Os E 13 11 9 1.487 109.426 51.66 -0.3540 21 O4 Oh S 11 9 7 1.443 110.169 69.26 -0.6260 22 H4O Ho E 21 11 9 0.960 109.455 179.72 0.4130 23 O3 Oh S 9 7 5 1.439 110.677 177.92 -0.6780 24 H3O Ho E 23 9 7 0.960 109.373 -64.24 0.4250 25 O2 Oh S 7 5 4 1.444 109.193 -57.83 -0.6370 26 H2O Ho E 25 7 5 0.960 109.413 58.90 0.3970 LOOP O5 C1 DONE 1tV INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.211 115.219 -131.38 -0.3880 5 C1 Cg B 4 3 2 1.419 142.733 -75.41 0.4700 6 H1 H1 E 5 4 3 1.090 108.099 125.32 0.0000 7 O5 Os S 5 4 3 1.470 107.008 8.45 -0.5160 8 C5 Cg 3 7 5 4 1.490 117.436 -73.98 0.3010 9 H5 H1 E 8 7 5 1.092 108.176 67.65 0.0000 10 C6 Cg 3 8 7 5 1.530 106.823 -175.86 0.0070 11 H61 Hc E 10 8 7 1.091 111.306 -56.97 0.0000 12 H62 Hc E 10 8 7 1.091 111.681 63.21 0.0000 13 H63 Hc E 10 8 7 1.091 111.485 -176.46 0.0000 14 C4 Cg 3 8 7 5 1.553 110.400 -51.43 0.3020 15 H4 H1 E 14 8 7 1.091 109.486 -67.87 0.0000 16 O4 Oh S 14 8 7 1.446 110.075 172.75 -0.7390 17 H4O Ho E 16 14 8 0.961 109.446 177.45 0.4390 18 C3 Cg 3 14 8 7 1.535 112.112 53.80 -0.0140 19 H31 Hc E 18 14 8 1.093 110.620 -177.58 0.0000 20 H32 Hc E 18 14 8 1.093 110.093 66.30 0.0000 21 C2 Cg B 18 14 8 1.535 111.168 -54.29 0.1910 22 H2 H1 E 21 18 14 1.091 108.971 171.23 0.0000 23 O2 Oh S 21 18 14 1.451 107.118 -72.88 -0.6720 24 H2O Ho E 23 21 18 0.962 109.923 -70.16 0.4250 LOOP C2 C1 DONE 1tv INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 40.827 125.335 -152.79 -0.3880 5 C1 Cg B 4 3 2 1.434 149.058 -36.29 0.4280 6 H1 H1 E 5 4 3 1.091 107.830 177.17 0.0000 7 C2 Cg 3 5 4 3 1.543 109.588 58.35 0.2080 8 H2 H1 E 7 5 4 1.091 110.018 60.33 0.0000 9 C3 Cg 3 7 5 4 1.538 110.852 -178.30 0.0070 10 H31 Hc E 9 7 5 1.092 110.440 174.77 0.0000 11 H32 Hc E 9 7 5 1.093 108.417 -70.21 0.0000 12 C4 Cg 3 9 7 5 1.542 111.976 51.41 0.2960 13 H4 H1 E 12 9 7 1.091 109.168 71.88 0.0000 14 C5 Cg 3 12 9 7 1.544 113.120 -50.24 0.2710 15 H5 H1 E 14 12 9 1.092 109.438 -67.05 0.0000 16 C6 Cg 3 14 12 9 1.530 114.414 170.77 0.0170 17 H61 Hc E 16 14 12 1.091 111.431 62.00 0.0000 18 H62 Hc E 16 14 12 1.091 111.279 -178.53 0.0000 19 H63 Hc E 16 14 12 1.091 111.734 -58.32 0.0000 20 O5 Os E 14 12 9 1.481 108.725 51.10 -0.4960 21 O4 Oh S 12 9 7 1.436 107.645 -170.11 -0.7290 22 H4O Ho E 21 12 9 0.960 109.450 -178.68 0.4250 23 O2 Oh S 7 5 4 1.442 110.000 -59.38 -0.6440 24 H2O Ho E 23 7 5 0.960 109.465 -179.91 0.4110 LOOP O5 C1 DONE 1uA INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.111 115.861 -131.96 -0.3880 5 C1 Cg B 4 3 2 1.415 148.896 -51.02 0.3630 6 H1 H2 E 5 4 3 1.090 108.890 102.66 0.0000 7 O5 Os S 5 4 3 1.464 104.203 -14.00 -0.5150 8 C5 Cg 3 7 5 4 1.503 115.778 -177.88 0.2320 9 H5 H1 E 8 7 5 1.091 106.633 176.67 0.0000 10 C6 C B 8 7 5 1.591 118.545 -64.62 0.6970 11 O6B O2 E 10 8 7 1.255 117.111 177.25 -0.7570 12 O6A O2 E 10 8 7 1.252 118.306 0.19 -0.7570 13 C4 Cg 3 8 7 5 1.541 106.777 61.95 0.2230 14 H4 H1 E 13 8 7 1.092 108.348 60.65 0.0000 15 O4 Oh S 13 8 7 1.461 110.851 178.69 -0.7110 16 H4O Ho E 15 13 8 0.984 107.477 28.92 0.3970 17 C3 Cg 3 13 8 7 1.551 110.331 -57.99 0.4170 18 H3 H1 E 17 13 8 1.092 108.572 -66.35 0.0000 19 O3 Oh S 17 13 8 1.454 107.203 176.93 -0.7710 20 H3O Ho E 19 17 13 0.966 105.279 42.17 0.4170 21 C2 Cg B 17 13 8 1.555 113.490 54.77 0.2590 22 H2 H1 E 21 17 13 1.092 108.782 71.56 0.0000 23 O2 Oh S 21 17 13 1.469 110.384 -169.42 -0.6850 24 H2O Ho E 23 21 17 0.960 110.184 53.77 0.3850 LOOP C2 C1 DONE 1uB INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.088 115.594 -132.20 -0.3880 5 C1 Cg B 4 3 2 1.432 141.924 -48.96 0.2780 6 H1 H2 E 5 4 3 1.090 108.419 -8.65 0.0000 7 C2 Cg 3 5 4 3 1.557 112.942 -129.56 0.2890 8 H2 H1 E 7 5 4 1.091 107.118 175.29 0.0000 9 C3 Cg 3 7 5 4 1.545 111.752 -66.92 0.2860 10 H3 H1 E 9 7 5 1.091 110.248 64.55 0.0000 11 C4 Cg 3 9 7 5 1.552 109.635 -56.61 0.3080 12 H4 H1 E 11 9 7 1.092 107.907 -61.83 0.0000 13 C5 Cg 3 11 9 7 1.546 112.015 56.37 0.1940 14 H5 H1 E 13 11 9 1.091 107.278 -167.70 0.0000 15 C6 C B 13 11 9 1.581 111.637 77.65 0.7500 16 O6A O2 E 15 13 11 1.252 117.516 -129.70 -0.7830 17 O6B O2 E 15 13 11 1.255 117.682 48.62 -0.7830 18 O5 Os E 13 11 9 1.512 108.685 -52.87 -0.4300 19 O4 Oh S 11 9 7 1.456 110.245 -178.60 -0.7450 20 H4O Ho E 19 11 9 0.987 106.847 -97.51 0.4220 21 O3 Oh S 9 7 5 1.460 109.228 -175.94 -0.7550 22 H3O Ho E 21 9 7 0.968 105.498 164.14 0.4210 23 O2 Oh S 7 5 4 1.455 112.599 58.28 -0.6800 24 H2O Ho E 23 7 5 0.964 105.470 -160.22 0.4220 LOOP O5 C1 DONE 1vA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.100 115.413 -131.57 -0.3880 5 C1 Cg B 4 3 2 1.431 145.337 -70.35 0.3890 6 H1 H2 E 5 4 3 1.090 108.202 123.33 0.0000 7 O5 Os S 5 4 3 1.470 107.169 6.83 -0.4660 8 C5 Cg 3 7 5 4 1.497 117.776 -73.76 0.1120 9 H5 H1 E 8 7 5 1.091 107.067 65.15 0.0000 10 C6 Cg 3 8 7 5 1.543 110.655 -179.51 0.3620 11 H61 H1 E 10 8 7 1.090 109.608 -176.18 0.0000 12 H62 H1 E 10 8 7 1.090 110.167 -57.43 0.0000 13 O6 Oh S 10 8 7 1.435 111.052 63.47 -0.7110 14 H6O Ho E 13 10 8 0.972 106.687 28.27 0.4240 15 C4 Cg 3 8 7 5 1.548 110.914 -51.03 0.3260 16 H4 H1 E 15 8 7 1.091 109.088 172.26 0.0000 17 O4 Oh S 15 8 7 1.450 110.237 -68.94 -0.7010 18 H4O Ho E 17 15 8 0.968 106.613 169.99 0.4420 19 C3 Cg 3 15 8 7 1.547 111.081 51.89 0.1760 20 H3 H1 E 19 15 8 1.091 107.961 63.63 0.0000 21 O3 Oh S 19 15 8 1.462 109.029 179.93 -0.6780 22 H3O Ho E 21 19 15 0.964 110.475 -178.25 0.4250 23 C2 Cg B 19 15 8 1.551 111.657 -55.51 0.3990 24 H2 H1 E 23 19 15 1.092 107.862 -63.61 0.0000 25 N2 Ng B 23 19 15 1.483 110.775 178.49 -0.5950 26 H2N H E 25 23 19 1.007 117.335 -40.12 0.2380 27 C2N C B 25 23 19 1.336 122.570 153.82 0.6250 28 O2N O E 27 25 23 1.227 121.897 -4.65 -0.6050 29 CME Cg 3 27 25 23 1.541 116.317 175.68 0.0320 30 H1M Hc E 29 27 25 1.091 109.644 69.76 0.0000 31 H2M Hc E 29 27 25 1.091 110.181 -170.34 0.0000 32 H3M Hc E 29 27 25 1.091 110.069 -50.52 0.0000 LOOP C2 C1 DONE 1vB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.220 115.968 -131.84 -0.3880 5 C1 Cg B 4 3 2 1.427 134.266 -52.73 0.3050 6 H1 H2 E 5 4 3 1.091 108.056 -14.98 0.0000 7 C2 Cg 3 5 4 3 1.568 112.535 -136.04 0.5440 8 H2 H1 E 7 5 4 1.091 107.972 -55.71 0.0000 9 C3 Cg 3 7 5 4 1.558 108.807 -173.54 0.1520 10 H3 H1 E 9 7 5 1.092 108.105 -63.18 0.0000 11 C4 Cg 3 9 7 5 1.544 111.369 55.44 0.2530 12 H4 H1 E 11 9 7 1.091 109.237 -177.04 0.0000 13 C5 Cg 3 11 9 7 1.544 111.265 -56.32 0.1360 14 H5 H1 E 13 11 9 1.092 107.572 -64.67 0.0000 15 C6 Cg 3 13 11 9 1.539 112.869 176.15 0.3530 16 H61 H1 E 15 13 11 1.091 110.331 53.32 0.0000 17 H62 H1 E 15 13 11 1.090 110.929 -67.00 0.0000 18 O6 Oh S 15 13 11 1.436 108.896 172.76 -0.7140 19 H6O Ho E 18 15 13 0.962 107.704 58.75 0.4270 20 O5 Os E 13 11 9 1.495 110.300 52.85 -0.4080 21 O4 Oh S 11 9 7 1.445 108.904 64.66 -0.6900 22 H4O Ho E 21 11 9 0.968 108.059 41.88 0.4400 23 O3 Oh S 9 7 5 1.462 113.219 178.26 -0.6650 24 H3O Ho E 23 9 7 0.963 111.335 152.35 0.4150 25 N2 Ng B 7 5 4 1.481 111.069 64.49 -0.6860 26 H2N H E 25 7 5 1.005 118.080 45.86 0.2540 27 C2N C B 25 7 5 1.336 122.747 -132.36 0.5860 28 CME Cg 3 27 25 7 1.543 116.272 -179.61 0.0560 29 H1M Hc E 28 27 25 1.091 109.419 84.79 0.0000 30 H2M Hc E 28 27 25 1.091 109.982 -155.53 0.0000 31 H3M Hc E 28 27 25 1.092 110.645 -35.56 0.0000 32 O2N O E 27 25 7 1.227 122.402 -0.23 -0.5640 LOOP O5 C1 DONE 1wA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.212 115.658 -131.53 -0.3880 5 C1 Cg B 4 3 2 1.422 144.333 -63.74 0.4621 6 H1 H2 E 5 4 3 1.090 108.189 116.92 0.0000 7 O5 Os S 5 4 3 1.469 107.443 -0.25 -0.5415 8 C5 Cg 3 7 5 4 1.495 117.898 -69.16 0.2421 9 H5 H1 E 8 7 5 1.092 106.799 68.49 0.0000 10 C6 Cg 3 8 7 5 1.545 109.924 -175.74 0.2995 11 H61 H1 E 10 8 7 1.090 109.924 -166.49 0.0000 12 H62 H1 E 10 8 7 1.090 109.575 -48.28 0.0000 13 O6 Oh S 10 8 7 1.443 112.033 72.71 -0.6618 14 H6O Ho E 13 10 8 0.961 109.813 82.79 0.3959 15 C4 Cg 3 8 7 5 1.547 111.317 -49.02 0.3213 16 H4 H1 E 15 8 7 1.091 109.249 -73.83 0.0000 17 O4 Oh S 15 8 7 1.458 108.618 168.10 -0.7305 18 H4O Ho E 17 15 8 0.964 111.017 -68.07 0.4424 19 C3 Cg 3 15 8 7 1.550 112.664 46.63 0.2520 20 H3 H1 E 19 15 8 1.091 108.491 68.12 0.0000 21 O3 Oh S 19 15 8 1.455 109.482 -174.62 -0.6987 22 H3O Ho E 21 19 15 0.965 109.543 -47.09 0.4159 23 C2 Cg B 19 15 8 1.549 112.400 -51.61 0.2750 24 H2 H1 E 23 19 15 1.092 108.473 171.95 0.0000 25 N2 Ng B 23 19 15 1.482 111.789 -70.12 -0.4751 26 H2N H E 25 23 19 1.007 117.562 12.93 0.2142 27 C2N C B 25 23 19 1.336 123.787 -162.76 0.5909 28 O2N O E 27 25 23 1.229 122.265 -3.32 -0.5757 29 CME Cg 3 27 25 23 1.539 115.681 177.62 -0.0340 30 H1M Hc E 29 27 25 1.091 109.868 -60.00 0.0000 31 H2M Hc E 29 27 25 1.091 110.252 -179.93 0.0000 32 H3M Hc E 29 27 25 1.091 109.810 60.19 0.0000 LOOP C2 C1 DONE 1wB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.303 115.950 -132.00 -0.3880 5 C1 Cg B 4 3 2 1.417 135.116 -49.84 0.3870 6 H1 H2 E 5 4 3 1.091 108.527 -19.28 0.0000 7 C2 Cg 3 5 4 3 1.557 111.740 -141.19 0.2940 8 H2 H1 E 7 5 4 1.092 107.791 66.82 0.0000 9 C3 Cg 3 7 5 4 1.550 108.254 -176.66 0.2170 10 H3 H1 E 9 7 5 1.092 107.807 -64.62 0.0000 11 C4 Cg 3 9 7 5 1.551 112.012 54.98 0.2770 12 H4 H1 E 11 9 7 1.092 109.220 68.41 0.0000 13 C5 Cg 3 11 9 7 1.549 111.754 -52.70 0.3210 14 H5 H1 E 13 11 9 1.092 108.891 -67.49 0.0000 15 C6 Cg 3 13 11 9 1.542 112.546 172.10 0.2470 16 H61 H1 E 15 13 11 1.090 110.437 60.16 0.0000 17 H62 H1 E 15 13 11 1.091 110.098 -59.35 0.0000 18 O6 Oh S 15 13 11 1.442 110.379 -179.51 -0.6630 19 H6O Ho E 18 15 13 0.962 108.929 56.35 0.4130 20 O5 Os E 13 11 9 1.498 109.860 50.66 -0.4980 21 O4 Oh S 11 9 7 1.447 108.869 -173.07 -0.7430 22 H4O Ho E 21 11 9 0.968 107.478 -48.60 0.4390 23 O3 Oh S 9 7 5 1.458 111.031 177.66 -0.6580 24 H3O Ho E 23 9 7 0.972 110.221 24.88 0.4130 25 N2 Ng B 7 5 4 1.485 112.591 -52.54 -0.5580 26 H2N H E 25 7 5 1.007 117.378 -30.20 0.2650 27 C2N C B 25 7 5 1.337 123.528 147.74 0.5850 28 CME Cg 3 27 25 7 1.544 116.722 -177.13 0.0560 29 H1M Hc E 28 27 25 1.090 109.199 -104.92 0.0000 30 H2M Hc E 28 27 25 1.091 109.840 135.47 0.0000 31 H3M Hc E 28 27 25 1.092 111.211 15.23 0.0000 32 O2N O E 27 25 7 1.229 121.350 4.57 -0.6000 LOOP O5 C1 DONE 1xA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.247 115.740 -131.55 -0.3880 5 C1 Cg B 4 3 2 1.419 144.458 -64.90 0.4820 6 H1 H2 E 5 4 3 1.090 108.858 121.73 0.0000 7 O5 Os S 5 4 3 1.463 106.541 4.51 -0.5880 8 C5 Cg 3 7 5 4 1.489 117.248 -69.68 0.3350 9 H5A H1 E 8 7 5 1.091 108.858 68.16 0.0000 10 H5E H1 E 8 7 5 1.090 108.909 -174.49 0.0000 11 C4 Cg 3 8 7 5 1.539 111.025 -53.24 0.2470 12 H4 H1 E 11 8 7 1.091 108.937 -68.60 0.0000 13 O4 Oh S 11 8 7 1.453 108.593 173.08 -0.7200 14 H4O Ho E 13 11 8 0.967 107.931 -176.07 0.4200 15 C3 Cg 3 11 8 7 1.547 110.634 51.97 0.3590 16 H3 H1 E 15 11 8 1.092 109.703 67.85 0.0000 17 O3 Oh S 15 11 8 1.451 108.617 -173.43 -0.7120 18 H3O Ho E 17 15 11 0.966 107.240 165.38 0.4210 19 C2 Cg B 15 11 8 1.543 112.192 -53.97 0.1970 20 H2 H1 E 19 15 11 1.091 108.478 -65.50 0.0000 21 O2 Oh S 19 15 11 1.464 110.541 176.58 -0.6560 22 H2O Ho E 21 19 15 0.967 109.241 -84.85 0.4090 LOOP C2 C1 DONE 1xB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.460 115.928 -131.25 -0.3880 5 C1 Cg B 4 3 2 1.422 134.028 -51.27 0.2480 6 H1 H2 E 5 4 3 1.091 108.928 -15.06 0.0000 7 C2 Cg 3 5 4 3 1.557 110.538 -136.90 0.4250 8 H2 H1 E 7 5 4 1.092 109.351 -49.29 0.0000 9 C3 Cg 3 7 5 4 1.547 111.138 -170.38 0.2280 10 H3 H1 E 9 7 5 1.092 109.005 -68.97 0.0000 11 C4 Cg 3 9 7 5 1.546 111.370 51.34 0.2860 12 H4 H1 E 11 9 7 1.091 109.653 67.94 0.0000 13 C5 Cg 3 11 9 7 1.541 111.571 -53.00 0.3030 14 H5A H1 E 13 11 9 1.092 110.518 -66.11 0.0000 15 H5E H1 E 13 11 9 1.090 110.176 174.39 0.0000 16 O5 Os E 13 11 9 1.482 109.795 54.26 -0.4470 17 O4 Oh S 11 9 7 1.447 109.213 -172.90 -0.7230 18 H4O Ho E 17 11 9 0.966 107.383 -51.48 0.4300 19 O3 Oh S 9 7 5 1.458 109.994 172.23 -0.6820 20 H3O Ho E 19 9 7 0.967 108.169 55.63 0.4270 21 O2 Oh S 7 5 4 1.452 109.095 69.74 -0.6990 22 H2O Ho E 21 7 5 0.965 106.939 -49.61 0.3980 LOOP O5 C1 DONE 1xD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.464 115.119 -131.23 -0.3880 5 C1 Cg B 4 3 2 1.420 141.967 -85.32 0.4280 6 H1 H1 E 5 4 3 1.090 110.948 133.38 0.0000 7 O4 Os S 5 4 3 1.561 105.015 12.95 -0.5070 8 C4 Cg 3 7 5 4 1.593 113.153 -107.58 0.2370 9 H4 H1 E 8 7 5 1.090 108.789 116.35 0.0000 10 C5 Cg 3 8 7 5 1.543 109.223 -125.39 0.2800 11 H51 H1 E 10 8 7 1.090 111.083 166.42 0.0000 12 H52 H1 E 10 8 7 1.090 109.111 -74.77 0.0000 13 O5 Oh S 10 8 7 1.441 110.629 44.19 -0.6780 14 H5O Ho E 13 10 8 0.962 107.911 -53.44 0.4220 15 C3 Cg 3 8 7 5 1.626 104.822 0.57 0.3020 16 H3 H1 E 15 8 7 1.091 107.635 106.72 0.0000 17 O3 Oh S 15 8 7 1.447 113.750 -133.56 -0.7140 18 H3O Ho E 17 15 8 0.963 109.068 176.23 0.4260 19 C2 Cg B 15 8 7 1.634 107.473 -10.20 0.2480 20 H2 H1 E 19 15 8 1.091 108.718 -100.07 0.0000 21 O2 Oh S 19 15 8 1.455 111.279 140.82 -0.6570 22 H2O Ho E 21 19 15 0.967 107.830 -104.95 0.4070 LOOP C2 C1 DONE 1xU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.842 116.299 -130.77 -0.3880 5 C1 Cg B 4 3 2 1.421 102.345 -55.30 0.3880 6 H1 H2 E 5 4 3 1.090 110.400 -4.87 0.0000 7 C2 Cg 3 5 4 3 1.632 111.381 -128.95 0.3820 8 H2 H1 E 7 5 4 1.091 109.438 -6.98 0.0000 9 C3 Cg 3 7 5 4 1.636 107.260 -125.47 0.2240 10 H3 H1 E 9 7 5 1.091 109.533 -107.12 0.0000 11 C4 Cg 3 9 7 5 1.626 107.660 10.02 0.1420 12 H4 H1 E 11 9 7 1.091 108.631 -124.08 0.0000 13 C5 Cg 3 11 9 7 1.541 115.732 113.08 0.2850 14 H51 H1 E 13 11 9 1.090 109.960 60.60 0.0000 15 H52 H1 E 13 11 9 1.091 110.415 -59.03 0.0000 16 O5 Oh S 13 11 9 1.439 110.113 -179.62 -0.6350 17 H5O Ho E 16 13 11 0.959 109.575 -48.10 0.3960 18 O4 Os E 11 9 7 1.585 104.984 -8.09 -0.4270 19 O3 Oh S 9 7 5 1.450 111.002 133.42 -0.6620 20 H3O Ho E 19 9 7 0.964 109.399 70.42 0.4120 21 O2 Oh S 7 5 4 1.454 112.254 113.36 -0.7310 22 H2O Ho E 21 7 5 0.963 109.130 -68.38 0.4200 LOOP O4 C1 DONE 1yA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.236 115.731 -131.33 -0.3880 5 C1 Cg B 4 3 2 1.420 140.074 -62.73 0.4680 6 H1 H2 E 5 4 3 1.090 108.249 116.13 0.0000 7 O5 Os S 5 4 3 1.463 106.522 -0.13 -0.5680 8 C5 Cg 3 7 5 4 1.500 118.098 -74.20 0.2460 9 H5 H1 E 8 7 5 1.092 107.019 68.26 0.0000 10 C6 Cg 3 8 7 5 1.544 110.054 -175.47 0.3280 11 H61 H1 E 10 8 7 1.090 109.603 -54.04 0.0000 12 H62 H1 E 10 8 7 1.090 110.073 -172.40 0.0000 13 O6 Oh S 10 8 7 1.444 111.701 66.58 -0.6880 14 H6O Ho E 13 10 8 0.960 109.460 -179.56 0.4210 15 C4 Cg 3 8 7 5 1.544 111.305 -49.64 0.3220 16 H4 H1 E 15 8 7 1.091 109.775 -72.41 0.0000 17 O4 Oh S 15 8 7 1.448 108.615 168.54 -0.7330 18 H4O Ho E 17 15 8 0.967 106.060 -170.93 0.4490 19 C3 Cg 3 15 8 7 1.546 112.523 49.14 0.1650 20 H3 H1 E 19 15 8 1.092 109.255 68.91 0.0000 21 O3 Oh S 19 15 8 1.457 108.091 -173.19 -0.6300 22 H3O Ho E 21 19 15 0.977 109.893 135.62 0.4130 23 C2 Cg B 19 15 8 1.547 112.211 -51.74 0.2450 24 H2 H1 E 23 19 15 1.092 107.659 -66.49 0.0000 25 N2 Ng B 23 19 15 1.486 111.285 175.94 -0.5520 26 H2N H E 25 23 19 1.009 115.982 -94.71 0.2360 27 C2N C B 25 23 19 1.338 124.714 81.84 0.5880 28 O2N O E 27 25 23 1.228 121.379 -4.88 -0.5790 29 CME Cg 3 27 25 23 1.544 117.110 175.73 0.0630 30 H1M Hc E 29 27 25 1.090 109.379 118.32 0.0000 31 H2M Hc E 29 27 25 1.091 109.387 -122.31 0.0000 32 H3M Hc E 29 27 25 1.092 111.363 -2.06 0.0000 LOOP C2 C1 DONE 1yB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.316 116.045 -131.91 -0.3880 5 C1 Cg B 4 3 2 1.424 133.110 -49.51 0.2870 6 H1 H2 E 5 4 3 1.091 108.240 -16.77 0.0000 7 C2 Cg 3 5 4 3 1.566 112.109 -138.25 0.4800 8 H2 H1 E 7 5 4 1.092 107.602 -55.82 0.0000 9 C3 Cg 3 7 5 4 1.555 109.532 -173.01 0.1800 10 H3 H1 E 9 7 5 1.092 108.635 -66.15 0.0000 11 C4 Cg 3 9 7 5 1.547 110.847 53.41 0.3020 12 H4 H1 E 11 9 7 1.092 109.529 65.76 0.0000 13 C5 Cg 3 11 9 7 1.542 111.743 -55.82 0.2080 14 H5 H1 E 13 11 9 1.092 109.079 -62.53 0.0000 15 C6 Cg 3 13 11 9 1.540 112.556 176.83 0.2890 16 H61 H1 E 15 13 11 1.090 110.526 60.82 0.0000 17 H62 H1 E 15 13 11 1.091 110.298 -59.01 0.0000 18 O6 Oh S 15 13 11 1.439 109.712 -179.18 -0.6890 19 H6O Ho E 18 15 13 0.961 108.379 54.80 0.4240 20 O5 Os E 13 11 9 1.493 108.679 55.34 -0.4330 21 O4 Oh S 11 9 7 1.444 108.505 -175.54 -0.7160 22 H4O Ho E 21 11 9 0.967 106.789 -52.54 0.4360 23 O3 Oh S 9 7 5 1.462 112.173 174.68 -0.6810 24 H3O Ho E 23 9 7 0.964 110.728 66.33 0.4230 25 N2 Ng B 7 5 4 1.484 111.108 64.13 -0.7220 26 H2N H E 25 7 5 1.006 117.592 43.53 0.3000 27 C2N C B 25 7 5 1.336 123.143 -126.00 0.6480 28 CME Cg 3 27 25 7 1.542 116.434 175.43 0.0340 29 H1M Hc E 28 27 25 1.091 109.335 82.58 0.0000 30 H2M Hc E 28 27 25 1.091 110.076 -157.79 0.0000 31 H3M Hc E 28 27 25 1.092 110.630 -37.74 0.0000 32 O2N O E 27 25 7 1.226 122.116 -6.61 -0.5760 LOOP O5 C1 DONE 1zA INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.229 115.590 -131.41 -0.3880 5 C1 Cg B 4 3 2 1.422 99.467 133.39 0.3980 6 H1 H2 E 5 4 3 1.090 108.692 11.22 0.0000 7 O5 Os S 5 4 3 1.458 106.131 -105.58 -0.5440 8 C5 Cg 3 7 5 4 1.515 118.156 -68.81 0.1870 9 H5 H1 E 8 7 5 1.092 105.702 62.73 0.0000 10 C6 C B 8 7 5 1.597 117.705 178.26 0.7980 11 O6B O2 E 10 8 7 1.252 118.424 -16.19 -0.7870 12 O6A O2 E 10 8 7 1.259 117.589 166.79 -0.7870 13 C4 Cg 3 8 7 5 1.550 110.155 -52.17 0.1930 14 H4 H1 E 13 8 7 1.091 108.479 -74.33 0.0000 15 O4 Oh S 13 8 7 1.452 107.400 168.29 -0.6820 16 H4O Ho E 15 13 8 0.983 105.869 47.72 0.4220 17 C3 Cg 3 13 8 7 1.555 113.190 47.11 0.3000 18 H3 H1 E 17 13 8 1.092 108.970 72.43 0.0000 19 O3 Oh S 17 13 8 1.458 110.360 -168.45 -0.7430 20 H3O Ho E 19 17 13 0.962 107.044 172.72 0.4390 21 C2 Cg B 17 13 8 1.547 112.948 -48.46 0.3260 22 H2 H1 E 21 17 13 1.091 108.371 -69.20 0.0000 23 O2 Oh S 21 17 13 1.467 110.467 172.90 -0.7320 24 H2O Ho E 23 21 17 0.965 107.076 -83.83 0.4060 LOOP C2 C1 DONE 1zB INT 0 CORRECT OMIT DU BEG -1.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O1 Os M 3 2 1 32.294 116.117 -131.75 -0.3880 5 C1 Cg B 4 3 2 1.424 131.715 -54.31 0.2510 6 H1 H2 E 5 4 3 1.091 109.006 -12.31 0.0000 7 C2 Cg 3 5 4 3 1.556 111.189 -134.74 0.4110 8 H2 H1 E 7 5 4 1.092 109.113 -48.19 0.0000 9 C3 Cg 3 7 5 4 1.551 111.345 -168.80 0.2660 10 H3 H1 E 9 7 5 1.092 108.729 -71.83 0.0000 11 C4 Cg 3 9 7 5 1.552 112.291 48.56 0.2670 12 H4 H1 E 11 9 7 1.092 109.244 70.35 0.0000 13 C5 Cg 3 11 9 7 1.542 113.280 -50.40 0.0750 14 H5 H1 E 13 11 9 1.092 107.974 -63.51 0.0000 15 C6 C B 13 11 9 1.584 111.106 -178.60 0.8930 16 O6A O2 E 15 13 11 1.252 118.262 -140.20 -0.8180 17 O6B O2 E 15 13 11 1.258 117.333 41.17 -0.8180 18 O5 Os E 13 11 9 1.502 108.303 51.87 -0.4130 19 O4 Oh S 11 9 7 1.449 108.610 -171.54 -0.7330 20 H4O Ho E 19 11 9 0.987 105.292 166.54 0.4290 21 O3 Oh S 9 7 5 1.459 111.009 168.82 -0.7010 22 H3O Ho E 21 9 7 0.966 105.666 -171.43 0.4030 23 O2 Oh S 7 5 4 1.458 107.250 69.52 -0.7400 24 H2O Ho E 23 7 5 0.962 106.072 -51.06 0.4220 LOOP O5 C1 DONE 2AA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480 5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000 6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680 7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000 8 C3 Cg 3 6 4 3 1.543 115.075 -176.20 0.3350 9 H3 H1 E 8 6 4 1.091 110.217 -167.01 0.0000 10 C4 Cg 3 8 6 4 1.543 111.532 -44.66 0.2450 11 H4 H1 E 10 8 6 1.091 108.482 -68.58 0.0000 12 C5 Cg 3 10 8 6 1.532 112.944 51.47 0.3790 13 H5E H1 E 12 10 8 1.090 110.447 -175.26 0.0000 14 H5A H1 E 12 10 8 1.091 110.923 64.60 0.0000 15 O5 Os E 12 10 8 1.479 108.551 -55.64 -0.5640 16 O4 Oh S 10 8 6 1.437 110.197 173.67 -0.7480 17 H4O Ho E 16 10 8 0.960 109.412 -61.02 0.4340 18 O3 Oh S 8 6 4 1.441 106.949 75.66 -0.7720 19 H3O Ho E 18 8 6 0.960 109.473 59.41 0.4610 20 O2 Os M 6 4 3 1.437 106.880 64.80 -0.4860 LOOP O5 C1 DONE 2AB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790 5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000 6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290 7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560 8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000 9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000 10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240 11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000 12 O4 Oh S 10 7 6 1.458 110.447 -177.16 -0.7300 13 H4O Ho E 12 10 7 0.964 110.010 -151.69 0.4400 14 C3 Cg M 10 7 6 1.551 111.087 -54.27 0.2970 15 H3 H1 E 14 10 7 1.091 109.244 175.99 0.0000 16 O3 Oh S 14 10 7 1.454 109.593 -65.87 -0.6680 17 H3O Ho E 16 14 10 0.966 107.607 -47.31 0.4070 18 C2 Cg M 14 10 7 1.543 111.469 54.81 0.3000 19 H2 H1 E 18 14 10 1.091 109.979 -173.48 0.0000 20 O2 Os M 18 14 10 1.460 108.027 68.57 -0.4760 LOOP C2 C1 DONE 2AD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680 5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000 6 C2 Cg M 4 3 2 1.632 104.217 14.88 0.2780 7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000 8 C3 Cg 3 6 4 3 1.638 107.428 -64.48 0.3700 9 H3 H1 E 8 6 4 1.091 109.719 -115.23 0.0000 10 C4 Cg 3 8 6 4 1.617 107.830 4.89 0.1470 11 H4 H1 E 10 8 6 1.091 109.995 109.41 0.0000 12 C5 Cg 3 10 8 6 1.531 113.111 -128.33 0.3380 13 H52 H1 E 12 10 8 1.090 110.286 -56.49 0.0000 14 H51 H1 E 12 10 8 1.090 110.161 -176.14 0.0000 15 O5 Oh S 12 10 8 1.438 109.271 63.95 -0.6960 16 H5O Ho E 15 12 10 0.963 107.879 70.16 0.3990 17 O4 Os E 10 8 6 1.585 105.385 -6.88 -0.4530 18 O3 Oh S 8 6 4 1.445 110.901 124.99 -0.7030 19 H3O Ho E 18 8 6 0.962 109.189 61.81 0.4040 20 O2 Os M 6 4 3 1.459 111.670 174.46 -0.4520 LOOP O4 C1 DONE 2AU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770 5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000 6 O4 Os M 4 3 2 1.559 125.393 147.34 -0.5320 7 C4 Cg M 6 4 3 1.592 113.400 -118.27 0.3270 8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000 9 C5 Cg 3 7 6 4 1.536 109.955 123.86 0.2270 10 H52 H1 E 9 7 6 1.090 110.003 -58.66 0.0000 11 H51 H1 E 9 7 6 1.090 110.273 -178.18 0.0000 12 O5 Oh S 9 7 6 1.440 109.976 61.40 -0.6500 13 H5O Ho E 12 9 7 0.963 109.100 -48.75 0.3970 14 C3 Cg M 7 6 4 1.623 104.988 1.35 0.2150 15 H3 H1 E 14 7 6 1.091 109.455 110.64 0.0000 16 O3 Oh S 14 7 6 1.449 110.805 -129.50 -0.7280 17 H3O Ho E 16 14 7 0.965 109.557 -174.52 0.4370 18 C2 Cg M 14 7 6 1.636 107.636 -8.35 0.3280 19 H2 H1 E 18 14 7 1.091 108.941 -103.94 0.0000 20 O2 Os M 18 14 7 1.456 110.454 137.54 -0.4980 LOOP C2 C1 DONE 2BA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.395 100.309 -133.80 -0.3880 5 C2 Cg B 4 3 2 1.443 97.380 78.32 0.1300 6 C1 Cg 3 5 4 3 1.560 108.017 20.24 0.4280 7 H12 H1 E 6 5 4 1.091 110.098 -49.76 0.0000 8 H11 H1 E 6 5 4 1.090 109.813 68.66 0.0000 9 O1 Oh S 6 5 4 1.443 112.003 -170.25 -0.6780 10 H1O Ho E 9 6 5 0.961 107.457 73.22 0.3990 11 C3 Cg 3 5 4 3 1.559 111.736 -103.78 0.3720 12 H3 H1 E 11 5 4 1.092 108.445 -176.88 0.0000 13 C4 Cg 3 11 5 4 1.548 110.877 -59.24 0.3350 14 H4 H1 E 13 11 5 1.092 109.910 62.48 0.0000 15 C5 Cg 3 13 11 5 1.550 109.394 -58.65 0.2240 16 H5 H1 E 15 13 11 1.091 109.416 -64.57 0.0000 17 C6 Cg 3 15 13 11 1.544 111.673 55.39 0.3410 18 H6E H1 E 17 15 13 1.090 110.000 -171.23 0.0000 19 H6A H1 E 17 15 13 1.091 110.069 70.07 0.0000 20 O6 Os E 17 15 13 1.491 111.103 -50.56 -0.5070 21 O5 Oh S 15 13 11 1.455 110.457 176.19 -0.6900 22 H5O Ho E 21 15 13 0.963 109.307 77.89 0.4290 23 O4 Oh S 13 11 5 1.461 109.578 -178.37 -0.7240 24 H4O Ho E 23 13 11 0.964 108.580 -150.69 0.4210 25 O3 Oh S 11 5 4 1.456 111.120 65.85 -0.7160 26 H3O Ho E 25 11 5 0.964 107.033 -168.33 0.4300 LOOP O6 C2 DONE 2BB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.427 98.903 -133.55 -0.3880 5 C2 Cg B 4 3 2 1.435 131.573 -76.25 0.2270 6 O6 Os S 5 4 3 1.482 106.120 -137.64 -0.4770 7 C6 Cg 3 6 5 4 1.485 116.916 -172.49 0.3110 8 H6E H1 E 7 6 5 1.090 109.104 176.90 0.0000 9 H6A H1 E 7 6 5 1.091 109.162 -65.19 0.0000 10 C5 Cg 3 7 6 5 1.543 109.751 56.11 0.3400 11 H5 H1 E 10 7 6 1.091 108.952 69.35 0.0000 12 O5 Oh S 10 7 6 1.444 108.793 -172.08 -0.7200 13 H5O Ho E 12 10 7 0.966 106.322 170.63 0.4290 14 C4 Cg 3 10 7 6 1.545 112.662 -52.43 0.1080 15 H4 H1 E 14 10 7 1.092 109.257 -67.90 0.0000 16 O4 Oh S 14 10 7 1.460 109.081 173.87 -0.6750 17 H4O Ho E 16 14 10 0.968 108.634 -176.45 0.4350 18 C3 Cg B 14 10 7 1.550 110.670 52.18 0.4640 19 H3 H1 E 18 14 10 1.092 108.385 68.01 0.0000 20 O3 Oh S 18 14 10 1.453 108.659 -174.74 -0.7300 21 H3O Ho E 20 18 14 0.965 106.403 -179.38 0.4320 22 C1 Cg 3 5 4 3 1.563 108.114 -18.09 0.2810 23 H12 H1 E 22 5 4 1.091 110.325 55.14 0.0000 24 H11 H1 E 22 5 4 1.090 110.121 173.85 0.0000 25 O1 Oh S 22 5 4 1.444 111.743 -65.73 -0.6260 26 H1O Ho E 25 22 5 0.960 109.452 179.75 0.3950 LOOP C3 C2 DONE 2BD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.464 100.088 -134.61 -0.3880 5 C2 Cg B 4 3 2 1.435 62.822 68.66 0.2410 6 C1 Cg 3 5 4 3 1.546 109.248 0.75 0.3130 7 H12 H1 E 6 5 4 1.090 110.325 -57.18 0.0000 8 H11 H1 E 6 5 4 1.091 109.856 61.94 0.0000 9 O1 Oh S 6 5 4 1.443 110.871 -177.70 -0.6680 10 H1O Ho E 9 6 5 0.961 109.037 -163.85 0.4140 11 C3 Cg 3 5 4 3 1.641 112.444 -128.03 0.4400 12 H3 H1 E 11 5 4 1.090 108.442 150.14 0.0000 13 C4 Cg 3 11 5 4 1.636 106.644 -94.21 0.2250 14 H4 H1 E 13 11 5 1.091 108.604 98.33 0.0000 15 C5 Cg 3 13 11 5 1.626 107.413 -17.56 0.2710 16 H5 H1 E 15 13 11 1.091 108.621 126.81 0.0000 17 C6 Cg 3 15 13 11 1.543 115.360 -109.99 0.2810 18 H62 H1 E 17 15 13 1.091 109.980 67.38 0.0000 19 H61 H1 E 17 15 13 1.090 110.249 -51.87 0.0000 20 O6 Oh S 17 15 13 1.443 110.886 -171.63 -0.6790 21 H6O Ho E 20 17 15 0.959 110.164 69.40 0.4110 22 O5 Os E 15 13 11 1.587 104.732 10.45 -0.4520 23 O4 Oh S 13 11 5 1.457 112.032 -142.43 -0.7100 24 H4O Ho E 23 13 11 0.965 109.577 -74.18 0.4350 25 O3 Oh S 11 5 4 1.453 115.892 29.51 -0.7320 26 H3O Ho E 25 11 5 0.959 109.052 121.29 0.4040 LOOP O5 C2 DONE 2BU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.872 99.079 -133.50 -0.3880 5 C2 Cg B 4 3 2 1.436 116.401 -82.76 0.2470 6 O5 Os S 5 4 3 1.568 109.234 -140.02 -0.3850 7 C5 Cg 3 6 5 4 1.582 113.720 -119.88 0.2100 8 H5 H1 E 7 6 5 1.091 108.799 -121.64 0.0000 9 C6 Cg 3 7 6 5 1.541 109.962 118.91 0.3320 10 H62 H1 E 9 7 6 1.090 110.302 -58.44 0.0000 11 H61 H1 E 9 7 6 1.090 109.861 -177.80 0.0000 12 O6 Oh S 9 7 6 1.442 110.695 62.46 -0.7010 13 H6O Ho E 12 9 7 0.959 110.169 52.94 0.4090 14 C4 Cg 3 7 6 5 1.624 104.801 -5.21 0.2830 15 H4 H1 E 14 7 6 1.091 107.561 -105.82 0.0000 16 O4 Oh S 14 7 6 1.453 112.691 135.08 -0.7550 17 H4O Ho E 16 14 7 0.964 109.402 171.47 0.4340 18 C3 Cg B 14 7 6 1.637 107.577 11.31 0.3820 19 H3 H1 E 18 14 7 1.091 108.163 103.95 0.0000 20 O3 Oh S 18 14 7 1.455 110.878 -138.10 -0.7420 21 H3O Ho E 20 18 14 0.963 108.479 -160.63 0.4260 22 C1 Cg 3 5 4 3 1.553 109.755 -20.21 0.2990 23 H12 H1 E 22 5 4 1.091 110.361 59.59 0.0000 24 H11 H1 E 22 5 4 1.091 109.538 178.41 0.0000 25 O1 Oh S 22 5 4 1.445 111.462 -61.49 -0.6270 26 H1O Ho E 25 22 5 0.960 109.374 -172.60 0.3820 LOOP C3 C2 DONE 2CA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.181 100.283 -133.64 -0.3880 5 C2 Cg B 4 3 2 1.424 104.981 76.00 0.3450 6 C1 Cg 3 5 4 3 1.567 106.273 22.44 0.3860 7 H12 H1 E 6 5 4 1.091 109.446 -64.91 0.0000 8 H11 H1 E 6 5 4 1.091 110.132 53.26 0.0000 9 O1 Oh S 6 5 4 1.446 112.801 174.36 -0.6960 10 H1O Ho E 9 6 5 0.968 106.626 39.29 0.4020 11 C3 Cg 3 5 4 3 1.575 109.040 -100.30 0.2470 12 H3 H1 E 11 5 4 1.092 108.668 44.47 0.0000 13 C4 Cg 3 11 5 4 1.551 113.411 -76.84 0.3670 14 H4 H1 E 13 11 5 1.091 108.797 -167.01 0.0000 15 C5 Cg 3 13 11 5 1.544 112.343 -46.95 0.1950 16 H5 H1 E 15 13 11 1.091 108.612 -61.32 0.0000 17 C6 Cg 3 15 13 11 1.538 109.577 57.29 0.4370 18 H6E H1 E 17 15 13 1.090 109.936 -178.47 0.0000 19 H6A H1 E 17 15 13 1.091 110.981 62.19 0.0000 20 O6 Os E 17 15 13 1.483 109.646 -58.96 -0.6200 21 O5 Oh S 15 13 11 1.462 110.821 -179.28 -0.7090 22 H5O Ho E 21 15 13 0.964 110.741 154.55 0.4150 23 O4 Oh S 13 11 5 1.450 110.082 76.05 -0.7200 24 H4O Ho E 23 13 11 0.965 107.347 -174.93 0.3940 25 O3 Oh S 11 5 4 1.466 111.567 161.74 -0.6550 26 H3O Ho E 25 11 5 0.965 109.737 -159.40 0.4060 LOOP O6 C2 DONE 2CB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.464 98.634 -133.48 -0.3880 5 C2 Cg B 4 3 2 1.438 132.140 -78.22 0.2440 6 O6 Os S 5 4 3 1.480 107.056 -136.47 -0.4600 7 C6 Cg 3 6 5 4 1.482 117.080 -172.07 0.3650 8 H6E H1 E 7 6 5 1.090 108.978 178.11 0.0000 9 H6A H1 E 7 6 5 1.091 109.532 -63.87 0.0000 10 C5 Cg 3 7 6 5 1.539 109.460 57.67 0.1950 11 H5 H1 E 10 7 6 1.091 107.780 64.61 0.0000 12 O5 Oh S 10 7 6 1.457 110.279 -178.31 -0.6840 13 H5O Ho E 12 10 7 0.965 109.084 80.29 0.4150 14 C4 Cg 3 10 7 6 1.549 112.024 -54.46 0.3440 15 H4 H1 E 14 10 7 1.091 108.628 172.57 0.0000 16 O4 Oh S 14 10 7 1.459 109.986 -70.35 -0.6980 17 H4O Ho E 16 14 10 0.964 108.929 -144.70 0.4170 18 C3 Cg B 14 10 7 1.551 111.995 51.70 0.3170 19 H3 H1 E 18 14 10 1.091 109.680 -170.27 0.0000 20 O3 Oh S 18 14 10 1.453 106.815 73.47 -0.6970 21 H3O Ho E 20 18 14 0.968 105.774 -153.52 0.4070 22 C1 Cg 3 5 4 3 1.563 106.385 -17.68 0.2970 23 H12 H1 E 22 5 4 1.091 110.065 60.55 0.0000 24 H11 H1 E 22 5 4 1.088 110.800 179.57 0.0000 25 O1 Oh S 22 5 4 1.447 111.733 -60.37 -0.6690 26 H1O Ho E 25 22 5 0.961 109.456 -178.60 0.4010 LOOP C3 C2 DONE 2CD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.498 99.718 -134.46 -0.3880 5 C2 Cg B 4 3 2 1.430 59.093 78.35 0.2840 6 C1 Cg 3 5 4 3 1.556 109.575 5.68 0.3700 7 H12 H1 E 6 5 4 1.091 109.651 -59.81 0.0000 8 H11 H1 E 6 5 4 1.091 110.210 59.04 0.0000 9 O1 Oh S 6 5 4 1.441 111.328 -179.98 -0.6880 10 H1O Ho E 9 6 5 0.970 106.366 49.38 0.4140 11 C3 Cg 3 5 4 3 1.638 107.242 -122.76 0.2820 12 H3 H1 E 11 5 4 1.091 111.006 23.83 0.0000 13 C4 Cg 3 11 5 4 1.638 106.495 -97.41 0.3320 14 H4 H1 E 13 11 5 1.091 111.116 -136.07 0.0000 15 C5 Cg 3 13 11 5 1.621 107.987 -13.87 0.3090 16 H5 H1 E 15 13 11 1.092 110.544 126.66 0.0000 17 C6 Cg 3 15 13 11 1.538 111.506 -110.78 0.2650 18 H62 H1 E 17 15 13 1.091 109.952 69.16 0.0000 19 H61 H1 E 17 15 13 1.090 109.956 -49.70 0.0000 20 O6 Oh S 17 15 13 1.442 111.246 -169.72 -0.6640 21 H6O Ho E 20 17 15 0.960 110.855 67.48 0.4120 22 O5 Os E 15 13 11 1.584 104.926 8.85 -0.4980 23 O4 Oh S 13 11 5 1.453 108.919 105.00 -0.7840 24 H4O Ho E 23 13 11 0.965 110.375 -49.86 0.4440 25 O3 Oh S 11 5 4 1.460 111.917 144.52 -0.7160 26 H3O Ho E 25 11 5 0.965 109.355 -165.56 0.4320 LOOP O5 C2 DONE 2CU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 26.037 80.270 -135.47 -0.3880 5 C2 Cg B 4 3 2 1.441 132.894 -110.83 0.2390 6 O5 Os S 5 4 3 1.575 112.415 -152.30 -0.4490 7 C5 Cg 3 6 5 4 1.577 112.749 -127.24 0.3100 8 H5 H1 E 7 6 5 1.092 109.362 -121.32 0.0000 9 C6 Cg 3 7 6 5 1.529 108.415 119.08 0.2720 10 H62 H1 E 9 7 6 1.091 110.618 -56.09 0.0000 11 H61 H1 E 9 7 6 1.090 110.315 -176.31 0.0000 12 O6 Oh S 9 7 6 1.433 108.667 64.08 -0.6520 13 H6O Ho E 12 9 7 0.960 109.494 59.32 0.3970 14 C4 Cg 3 7 6 5 1.622 105.503 -1.90 0.2930 15 H4 H1 E 14 7 6 1.092 112.170 133.69 0.0000 16 O4 Oh S 14 7 6 1.434 107.738 -106.47 -0.7630 17 H4O Ho E 16 14 7 0.960 109.480 -62.64 0.4310 18 C3 Cg B 14 7 6 1.624 107.882 8.77 0.3330 19 H3 H1 E 18 14 7 1.091 112.343 -135.61 0.0000 20 O3 Oh S 18 14 7 1.439 105.085 106.18 -0.6910 21 H3O Ho E 20 18 14 0.960 109.418 -177.11 0.4100 22 C1 Cg 3 5 4 3 1.537 107.629 -32.85 0.2870 23 H12 H1 E 22 5 4 1.091 110.638 53.98 0.0000 24 H11 H1 E 22 5 4 1.091 109.952 173.27 0.0000 25 O1 Oh S 22 5 4 1.437 110.256 -67.03 -0.6240 26 H1O Ho E 25 22 5 0.960 109.490 -179.97 0.4010 LOOP C3 C2 DONE 2DA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980 5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000 6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460 7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000 8 C3 Cg 3 6 4 3 1.549 110.494 -31.75 0.1840 9 H3 H1 E 8 6 4 1.091 107.825 63.24 0.0000 10 C4 Cg 3 8 6 4 1.545 111.008 -55.58 0.3510 11 H4 H1 E 10 8 6 1.091 110.279 -64.03 0.0000 12 C5 Cg 3 10 8 6 1.543 110.247 57.45 0.2750 13 H5E H1 E 12 10 8 1.090 110.034 -173.80 0.0000 14 H5A H1 E 12 10 8 1.092 109.852 67.71 0.0000 15 O5 Os E 12 10 8 1.490 111.684 -52.70 -0.4870 16 O4 Oh S 10 8 6 1.447 108.954 176.38 -0.7110 17 H4O Ho E 16 10 8 0.966 106.152 48.96 0.4220 18 O3 Oh S 8 6 4 1.459 111.377 -179.63 -0.6550 19 H3O Ho E 18 8 6 0.962 110.146 -45.63 0.4170 20 O2 Os M 6 4 3 1.458 109.515 -153.38 -0.4400 LOOP O5 C1 DONE 2DB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480 5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000 6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190 7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750 8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000 9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000 10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350 11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000 12 O4 Oh S 10 7 6 1.436 107.087 -169.38 -0.7090 13 H4O Ho E 12 10 7 0.960 109.449 -179.03 0.4360 14 C3 Cg M 10 7 6 1.543 111.797 -50.34 0.2010 15 H3 H1 E 14 10 7 1.092 109.081 -68.08 0.0000 16 O3 Oh S 14 10 7 1.440 109.833 173.78 -0.7010 17 H3O Ho E 16 14 10 0.960 109.476 58.38 0.4320 18 C2 Cg M 14 10 7 1.543 112.432 51.79 0.2260 19 H2 H1 E 18 14 10 1.091 110.138 -175.60 0.0000 20 O2 Os M 18 14 10 1.446 109.378 64.40 -0.4240 LOOP C2 C1 DONE 2DD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800 5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000 6 C2 Cg M 4 3 2 1.631 107.390 17.90 0.2290 7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000 8 C3 Cg 3 6 4 3 1.641 106.976 -85.59 0.2980 9 H3 H1 E 8 6 4 1.090 111.055 137.68 0.0000 10 C4 Cg 3 8 6 4 1.624 106.916 15.94 0.1890 11 H4 H1 E 10 8 6 1.091 107.278 99.07 0.0000 12 C5 Cg 3 10 8 6 1.537 117.355 -138.29 0.3050 13 H52 H1 E 12 10 8 1.090 110.349 -57.47 0.0000 14 H51 H1 E 12 10 8 1.090 110.600 62.82 0.0000 15 O5 Oh S 12 10 8 1.438 108.908 -177.29 -0.6970 16 H5O Ho E 15 12 10 0.962 108.141 -56.44 0.4140 17 O4 Os E 10 8 6 1.588 104.960 -15.19 -0.4230 18 O3 Oh S 8 6 4 1.446 108.928 -102.08 -0.6780 19 H3O Ho E 18 8 6 0.969 106.468 -24.27 0.4170 20 O2 Os M 6 4 3 1.459 112.707 149.62 -0.4340 LOOP O4 C1 DONE 2DU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360 5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000 6 O4 Os M 4 3 2 1.554 137.950 -176.42 -0.5170 7 C4 Cg M 6 4 3 1.588 113.584 155.63 0.1350 8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000 9 C5 Cg 3 7 6 4 1.542 110.504 119.77 0.3730 10 H52 H1 E 9 7 6 1.091 110.456 -60.02 0.0000 11 H51 H1 E 9 7 6 1.090 109.887 -179.59 0.0000 12 O5 Oh S 9 7 6 1.439 110.322 60.67 -0.7250 13 H5O Ho E 12 9 7 0.959 109.321 36.11 0.4180 14 C3 Cg M 7 6 4 1.620 104.668 -4.25 0.3000 15 H3 H1 E 14 7 6 1.091 107.749 -104.45 0.0000 16 O3 Oh S 14 7 6 1.446 112.944 136.27 -0.6420 17 H3O Ho E 16 14 7 0.970 106.239 -112.71 0.4050 18 C2 Cg M 14 7 6 1.642 107.806 11.75 0.2840 19 H2 H1 E 18 14 7 1.089 110.775 -134.90 0.0000 20 O2 Os M 18 14 7 1.464 109.295 105.12 -0.4670 LOOP C2 C1 DONE 2EA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800 5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000 6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790 7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000 8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280 9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000 10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610 11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000 12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740 13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000 14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590 15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000 16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000 17 O6 Oh S 14 12 10 1.434 108.916 -175.95 -0.6630 18 H6O Ho E 17 14 12 0.960 109.470 59.69 0.4060 19 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870 20 O4 Oh S 10 8 6 1.439 109.304 174.29 -0.7210 21 H4O Ho E 20 10 8 0.960 109.412 -61.37 0.4150 22 O3 Oh S 8 6 4 1.442 106.866 75.38 -0.7140 23 H3O Ho E 22 8 6 0.960 109.461 58.71 0.4200 24 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370 LOOP O5 C1 DONE 2EB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880 5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000 6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320 7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570 8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000 9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780 10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000 11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000 12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770 13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080 14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200 15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000 16 O4 Oh S 14 7 6 1.457 110.564 -175.67 -0.7240 17 H4O Ho E 16 14 7 0.964 110.039 -157.92 0.4200 18 C3 Cg M 14 7 6 1.554 111.196 -53.07 0.3150 19 H3 H1 E 18 14 7 1.091 109.198 176.72 0.0000 20 O3 Oh S 18 14 7 1.454 110.601 -64.53 -0.6810 21 H3O Ho E 20 18 14 0.965 108.397 -50.06 0.4030 22 C2 Cg M 18 14 7 1.540 111.264 55.77 0.1840 23 H2 H1 E 22 18 14 1.091 109.856 -175.33 0.0000 24 O2 Os M 22 18 14 1.463 107.825 66.95 -0.4590 LOOP C2 C1 DONE 2FA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990 5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000 6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560 7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000 8 C3 Cg 3 6 4 3 1.550 109.810 -22.26 0.2280 9 H3 H1 E 8 6 4 1.091 109.256 60.66 0.0000 10 C4 Cg 3 8 6 4 1.549 109.944 -58.35 0.2630 11 H4 H1 E 10 8 6 1.091 108.978 175.77 0.0000 12 C5 Cg 3 10 8 6 1.554 111.442 55.77 0.1870 13 H5 H1 E 12 10 8 1.091 107.126 67.59 0.0000 14 C6 Cg 3 12 10 8 1.531 115.122 -173.47 0.0650 15 H63 Hc E 14 12 10 1.090 111.280 -55.79 0.0000 16 H62 Hc E 14 12 10 1.091 111.136 -175.22 0.0000 17 H61 Hc E 14 12 10 1.091 112.013 64.74 0.0000 18 O5 Os E 12 10 8 1.495 111.650 -50.00 -0.4940 19 O4 Oh S 10 8 6 1.452 109.204 -66.42 -0.7390 20 H4O Ho E 19 10 8 0.966 107.152 -53.10 0.4470 21 O3 Oh S 8 6 4 1.464 112.278 179.81 -0.6930 22 H3O Ho E 21 8 6 0.965 108.720 -78.93 0.4260 23 O2 Os M 6 4 3 1.463 112.192 101.91 -0.5450 LOOP O5 C1 DONE 2FB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180 5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000 6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420 7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060 8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000 9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920 10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000 11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000 12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000 13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290 14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000 15 O4 Oh S 13 7 6 1.445 108.672 63.53 -0.6590 16 H4O Ho E 15 13 7 0.960 109.451 59.43 0.4230 17 C3 Cg M 13 7 6 1.542 109.625 -56.43 0.2550 18 H3 H1 E 17 13 7 1.092 107.830 -66.01 0.0000 19 O3 Oh S 17 13 7 1.440 109.284 176.95 -0.6760 20 H3O Ho E 19 17 13 0.960 109.419 178.46 0.4270 21 C2 Cg M 17 13 7 1.542 112.898 54.44 0.3460 22 H2 H1 E 21 17 13 1.092 109.972 72.13 0.0000 23 O2 Os M 21 17 13 1.439 107.835 -168.68 -0.5190 LOOP C2 C1 DONE 2GA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090 5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000 6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460 7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000 8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860 9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000 10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540 11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000 12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830 13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000 14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760 15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000 16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000 17 O6 Oh S 14 12 10 1.444 110.823 -165.78 -0.6820 18 H6O Ho E 17 14 12 0.960 109.735 78.35 0.4180 19 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740 20 O4 Oh S 10 8 6 1.451 108.956 174.69 -0.7100 21 H4O Ho E 20 10 8 0.968 107.227 50.66 0.4360 22 O3 Oh S 8 6 4 1.452 108.531 -172.18 -0.6990 23 H3O Ho E 22 8 6 0.967 107.382 -43.08 0.4270 24 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700 LOOP O5 C1 DONE 2GB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840 5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000 6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710 7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250 8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000 9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820 10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000 11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000 12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880 13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240 14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760 15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000 16 O4 Oh S 14 7 6 1.448 108.899 -174.36 -0.7140 17 H4O Ho E 16 14 7 0.967 107.435 172.17 0.4400 18 C3 Cg M 14 7 6 1.548 111.306 -54.04 0.2840 19 H3 H1 E 18 14 7 1.092 109.104 -67.30 0.0000 20 O3 Oh S 18 14 7 1.454 108.817 174.47 -0.7090 21 H3O Ho E 20 18 14 0.967 107.396 -174.95 0.4320 22 C2 Cg M 18 14 7 1.545 112.113 53.55 0.3100 23 H2 H1 E 22 18 14 1.092 109.394 68.33 0.0000 24 O2 Os M 22 18 14 1.458 108.975 -172.91 -0.4750 LOOP C2 C1 DONE 2HA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940 5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000 6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480 7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000 8 C3 Cg 3 6 4 3 1.545 110.654 -24.92 0.2360 9 H3 H1 E 8 6 4 1.092 108.370 66.81 0.0000 10 C4 Cg 3 8 6 4 1.545 112.380 -53.49 0.1870 11 H4 H1 E 10 8 6 1.091 109.690 -65.16 0.0000 12 C5 Cg 3 10 8 6 1.549 110.317 55.89 0.2790 13 H5 H1 E 12 10 8 1.092 108.902 66.22 0.0000 14 C6 Cg 3 12 10 8 1.530 113.869 -172.74 0.0230 15 H63 Hc E 14 12 10 1.090 111.509 -61.06 0.0000 16 H62 Hc E 14 12 10 1.091 111.314 179.43 0.0000 17 H61 Hc E 14 12 10 1.091 111.668 59.25 0.0000 18 O5 Os E 12 10 8 1.486 110.695 -52.49 -0.4610 19 O4 Oh S 10 8 6 1.456 108.727 175.97 -0.6440 20 H4O Ho E 19 10 8 0.963 110.183 165.58 0.4050 21 O3 Oh S 8 6 4 1.452 109.719 -175.81 -0.6490 22 H3O Ho E 21 8 6 0.965 106.808 176.43 0.4250 23 O2 Os M 6 4 3 1.456 109.547 -146.01 -0.4430 LOOP O5 C1 DONE 2HB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810 5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000 6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270 7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720 8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000 9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390 10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000 11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000 12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000 13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880 14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000 15 O4 Oh S 13 7 6 1.438 107.632 -167.68 -0.7280 16 H4O Ho E 15 13 7 0.960 109.440 -59.01 0.4320 17 C3 Cg M 13 7 6 1.543 112.131 -48.94 0.1820 18 H3 H1 E 17 13 7 1.092 109.049 -68.66 0.0000 19 O3 Oh S 17 13 7 1.440 109.818 173.25 -0.6650 20 H3O Ho E 19 17 13 0.960 109.425 57.73 0.4180 21 C2 Cg M 17 13 7 1.542 112.684 51.25 0.2430 22 H2 H1 E 21 17 13 1.091 110.140 -175.78 0.0000 23 O2 Os M 21 17 13 1.446 109.350 64.20 -0.4350 LOOP C2 C1 DONE 2JA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.373 100.095 -133.83 -0.3880 5 C2 Cg B 4 3 2 1.436 97.719 79.32 0.1140 6 C1 Cg 3 5 4 3 1.562 107.302 17.33 0.4100 7 H12 H1 E 6 5 4 1.091 109.780 -64.38 0.0000 8 H11 H1 E 6 5 4 1.091 110.432 54.55 0.0000 9 O1 Oh S 6 5 4 1.437 111.258 175.28 -0.6560 10 H1O Ho E 9 6 5 0.970 105.489 31.79 0.4050 11 C3 Cg 3 5 4 3 1.561 108.237 -105.50 0.2710 12 H3 H1 E 11 5 4 1.091 109.484 54.21 0.0000 13 C4 Cg 3 11 5 4 1.550 111.054 -66.26 0.2810 14 H4 H1 E 13 11 5 1.091 108.892 64.55 0.0000 15 C5 Cg 3 13 11 5 1.547 111.417 -55.51 0.2730 16 H5 H1 E 15 13 11 1.091 109.946 -64.34 0.0000 17 C6 Cg 3 15 13 11 1.541 110.532 56.44 0.3680 18 H6E H1 E 17 15 13 1.090 110.023 -172.59 0.0000 19 H6A H1 E 17 15 13 1.091 109.951 68.78 0.0000 20 O6 Os E 17 15 13 1.489 111.422 -51.66 -0.5040 21 O5 Oh S 15 13 11 1.453 109.662 176.22 -0.6990 22 H5O Ho E 21 15 13 0.965 108.090 56.66 0.4190 23 O4 Oh S 13 11 5 1.460 109.496 -177.99 -0.6720 24 H4O Ho E 23 13 11 0.964 109.388 -81.32 0.4130 25 O3 Oh S 11 5 4 1.458 110.234 172.89 -0.6540 26 H3O Ho E 25 11 5 0.966 107.634 165.84 0.4250 LOOP O6 C2 DONE 2JB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.294 99.485 -134.03 -0.3880 5 C2 Cg B 4 3 2 1.432 135.531 -66.48 0.4130 6 O6 Os S 5 4 3 1.484 106.311 -144.31 -0.5510 7 C6 Cg 3 6 5 4 1.484 117.065 -173.89 0.2920 8 H6E H1 E 7 6 5 1.090 109.046 175.12 0.0000 9 H6A H1 E 7 6 5 1.091 108.728 -67.49 0.0000 10 C5 Cg 3 7 6 5 1.547 111.063 53.76 0.3740 11 H5 H1 E 10 7 6 1.091 108.987 71.66 0.0000 12 O5 Oh S 10 7 6 1.455 109.300 -169.66 -0.7290 13 H5O Ho E 12 10 7 0.962 111.074 52.54 0.4260 14 C4 Cg 3 10 7 6 1.550 111.895 -49.63 0.1550 15 H4 H1 E 14 10 7 1.090 108.402 -67.51 0.0000 16 O4 Oh S 14 10 7 1.459 110.935 175.25 -0.6840 17 H4O Ho E 16 14 10 0.968 109.165 45.21 0.4380 18 C3 Cg B 14 10 7 1.551 111.966 52.01 0.3630 19 H3 H1 E 18 14 10 1.091 109.562 -175.27 0.0000 20 O3 Oh S 18 14 10 1.461 107.359 67.28 -0.7250 21 H3O Ho E 20 18 14 0.967 106.570 50.21 0.4320 22 C1 Cg 3 5 4 3 1.565 107.007 -23.92 0.2800 23 H12 H1 E 22 5 4 1.091 109.821 50.15 0.0000 24 H11 H1 E 22 5 4 1.089 110.419 168.28 0.0000 25 O1 Oh S 22 5 4 1.444 112.820 -71.30 -0.7220 26 H1O Ho E 25 22 5 0.965 107.671 41.74 0.4320 LOOP C3 C2 DONE 2JD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.510 99.897 -134.58 -0.3880 5 C2 Cg B 4 3 2 1.437 59.212 75.19 0.1920 6 C1 Cg 3 5 4 3 1.554 109.050 6.21 0.3890 7 H12 H1 E 6 5 4 1.091 109.769 -62.44 0.0000 8 H11 H1 E 6 5 4 1.091 110.219 56.55 0.0000 9 O1 Oh S 6 5 4 1.438 111.155 177.27 -0.6540 10 H1O Ho E 9 6 5 0.969 105.999 50.29 0.3800 11 C3 Cg 3 5 4 3 1.637 107.339 -121.89 0.3930 12 H3 H1 E 11 5 4 1.091 112.376 27.80 0.0000 13 C4 Cg 3 11 5 4 1.642 105.965 -93.68 0.2330 14 H4 H1 E 13 11 5 1.090 107.367 95.04 0.0000 15 C5 Cg 3 13 11 5 1.625 107.375 -19.81 0.1900 16 H5 H1 E 15 13 11 1.091 108.940 130.16 0.0000 17 C6 Cg 3 15 13 11 1.542 114.908 -106.54 0.3400 18 H62 H1 E 17 15 13 1.090 110.250 66.65 0.0000 19 H61 H1 E 17 15 13 1.090 110.186 -52.85 0.0000 20 O6 Oh S 17 15 13 1.441 110.517 -172.30 -0.7250 21 H6O Ho E 20 17 15 0.959 110.296 58.30 0.4250 22 O5 Os E 15 13 11 1.585 104.597 13.44 -0.4100 23 O4 Oh S 13 11 5 1.458 113.311 -146.22 -0.6710 24 H4O Ho E 23 13 11 0.965 110.086 -102.72 0.4140 25 O3 Oh S 11 5 4 1.455 110.333 149.74 -0.7480 26 H3O Ho E 25 11 5 0.969 106.278 138.38 0.4460 LOOP O5 C2 DONE 2JU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 23.068 98.904 -133.33 -0.3880 5 C2 Cg B 4 3 2 1.442 114.405 -83.50 0.3510 6 O5 Os S 5 4 3 1.569 109.345 -139.13 -0.3890 7 C5 Cg 3 6 5 4 1.585 113.364 -123.61 0.1000 8 H5 H1 E 7 6 5 1.089 109.200 -122.53 0.0000 9 C6 Cg 3 7 6 5 1.537 108.498 118.12 0.3490 10 H62 H1 E 9 7 6 1.089 110.316 -54.99 0.0000 11 H61 H1 E 9 7 6 1.090 111.054 -175.70 0.0000 12 O6 Oh S 9 7 6 1.435 108.026 64.54 -0.6840 13 H6O Ho E 12 9 7 0.962 107.568 -44.32 0.4110 14 C4 Cg 3 7 6 5 1.619 104.895 -5.59 0.2840 15 H4 H1 E 14 7 6 1.091 107.554 -103.32 0.0000 16 O4 Oh S 14 7 6 1.442 113.035 137.27 -0.6570 17 H4O Ho E 16 14 7 0.969 105.977 -113.16 0.4100 18 C3 Cg B 14 7 6 1.639 107.844 12.75 0.2230 19 H3 H1 E 18 14 7 1.090 110.597 -136.61 0.0000 20 O3 Oh S 18 14 7 1.460 109.186 103.85 -0.6710 21 H3O Ho E 20 18 14 0.971 106.808 -128.68 0.4160 22 C1 Cg 3 5 4 3 1.554 109.500 -18.41 0.3330 23 H12 H1 E 22 5 4 1.090 110.121 61.30 0.0000 24 H11 H1 E 22 5 4 1.090 109.574 179.89 0.0000 25 O1 Oh S 22 5 4 1.448 111.622 -59.75 -0.6970 26 H1O Ho E 25 22 5 0.961 109.656 -173.81 0.4150 LOOP C3 C2 DONE 2KA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730 5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000 6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810 7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000 8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540 9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000 10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960 11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000 12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010 13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000 14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870 15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000 16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000 17 O6 Oh S 14 12 10 1.434 108.908 -172.15 -0.6910 18 H6O Ho E 17 14 12 0.960 109.471 59.53 0.4220 19 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400 20 O4 Oh S 10 8 6 1.440 107.338 -72.13 -0.7120 21 H4O Ho E 20 10 8 0.960 109.466 -178.56 0.4200 22 O3 Oh S 8 6 4 1.440 110.218 69.79 -0.7440 23 H3O Ho E 22 8 6 0.960 109.437 59.70 0.4360 24 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830 LOOP O5 C1 DONE 2KB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490 5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000 6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140 7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030 8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000 9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590 10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000 11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000 12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700 13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160 14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170 15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000 16 O4 Oh S 14 7 6 1.455 110.952 69.39 -0.7000 17 H4O Ho E 16 14 7 0.964 110.377 163.16 0.4250 18 C3 Cg M 14 7 6 1.545 111.117 -51.77 0.2530 19 H3 H1 E 18 14 7 1.091 109.391 173.95 0.0000 20 O3 Oh S 18 14 7 1.452 107.992 -68.85 -0.7100 21 H3O Ho E 20 18 14 0.968 107.267 175.38 0.4420 22 C2 Cg M 18 14 7 1.547 111.988 52.75 0.3080 23 H2 H1 E 22 18 14 1.091 108.509 65.85 0.0000 24 O2 Os M 22 18 14 1.462 109.337 -176.76 -0.4780 LOOP C2 C1 DONE 2LA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650 5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000 6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390 7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000 8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530 9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000 10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040 11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000 12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160 13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000 14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080 15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000 16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000 17 O6 Oh S 14 12 10 1.434 108.858 -172.60 -0.6840 18 H6O Ho E 17 14 12 0.960 109.466 59.52 0.4180 19 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270 20 O4 Oh S 10 8 6 1.445 109.785 -64.95 -0.6730 21 H4O Ho E 20 10 8 0.960 109.470 179.80 0.4360 22 O3 Oh S 8 6 4 1.440 110.035 -174.48 -0.7010 23 H3O Ho E 22 8 6 0.960 109.438 -57.69 0.4330 24 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870 LOOP O5 C1 DONE 2LB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740 5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000 6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020 7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400 8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000 9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190 10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000 11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000 12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930 13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190 14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030 15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000 16 O4 Oh S 14 7 6 1.449 109.628 67.34 -0.6640 17 H4O Ho E 16 14 7 0.967 107.158 -172.89 0.4370 18 C3 Cg M 14 7 6 1.546 110.517 -53.62 0.2590 19 H3 H1 E 18 14 7 1.092 108.098 -64.81 0.0000 20 O3 Oh S 18 14 7 1.455 109.126 178.29 -0.6940 21 H3O Ho E 20 18 14 0.967 107.449 -176.92 0.4330 22 C2 Cg M 18 14 7 1.547 112.254 55.04 0.3570 23 H2 H1 E 22 18 14 1.092 109.716 67.43 0.0000 24 O2 Os M 22 18 14 1.459 108.705 -173.71 -0.4880 LOOP C2 C1 DONE 2MA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330 5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000 6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450 7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000 8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520 9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000 10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260 11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000 12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760 13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000 14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660 15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000 16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000 17 O6 Oh S 14 12 10 1.444 110.952 -166.67 -0.6880 18 H6O Ho E 17 14 12 0.960 109.923 72.72 0.4220 19 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070 20 O4 Oh S 10 8 6 1.452 108.734 176.59 -0.7330 21 H4O Ho E 20 10 8 0.966 107.267 52.91 0.4380 22 O3 Oh S 8 6 4 1.461 109.595 -177.93 -0.6960 23 H3O Ho E 22 8 6 0.964 109.699 -74.81 0.4310 24 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650 LOOP O5 C1 DONE 2MB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140 5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000 6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930 7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060 8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000 9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730 10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000 11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000 12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800 13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190 14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490 15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000 16 O4 Oh S 14 7 6 1.452 108.352 -170.58 -0.7460 17 H4O Ho E 16 14 7 0.963 108.380 -159.72 0.4430 18 C3 Cg M 14 7 6 1.553 110.419 -50.51 0.2630 19 H3 H1 E 18 14 7 1.092 108.588 -60.79 0.0000 20 O3 Oh S 18 14 7 1.457 111.995 -178.50 -0.6920 21 H3O Ho E 20 18 14 0.962 109.624 81.59 0.4300 22 C2 Cg M 18 14 7 1.547 110.623 57.43 0.2410 23 H2 H1 E 22 18 14 1.091 110.076 180.00 0.0000 24 O2 Os M 22 18 14 1.459 110.769 59.28 -0.4270 LOOP C2 C1 DONE 2NA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780 5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000 6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280 7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000 8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300 9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000 10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670 11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000 12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040 13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000 14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800 15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000 16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000 17 O6 Oh S 14 12 10 1.434 109.011 -175.88 -0.6630 18 H6O Ho E 17 14 12 0.960 109.493 59.88 0.3960 19 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110 20 O4 Oh S 10 8 6 1.439 109.206 176.30 -0.7330 21 H4O Ho E 20 10 8 0.960 109.442 -63.39 0.4440 22 O3 Oh S 8 6 4 1.445 109.604 67.22 -0.7140 23 H3O Ho E 22 8 6 0.960 109.446 176.58 0.4410 24 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470 LOOP O5 C1 DONE 2NB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220 5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000 6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070 7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980 8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000 9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130 10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000 11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000 12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890 13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180 14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860 15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000 16 O4 Oh S 14 7 6 1.447 110.674 -178.31 -0.7070 17 H4O Ho E 16 14 7 0.966 108.053 84.25 0.4300 18 C3 Cg M 14 7 6 1.546 111.303 -56.16 0.2340 19 H3 H1 E 18 14 7 1.092 109.685 177.82 0.0000 20 O3 Oh S 18 14 7 1.458 109.719 -63.09 -0.6150 21 H3O Ho E 20 18 14 0.967 107.516 169.04 0.3890 22 C2 Cg M 18 14 7 1.544 109.920 57.50 0.3010 23 H2 H1 E 22 18 14 1.093 108.226 64.66 0.0000 24 O2 Os M 22 18 14 1.458 109.185 -178.16 -0.4730 LOOP C2 C1 DONE 2OA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050 5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000 6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130 7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000 8 C3 Cg 3 6 4 3 1.548 110.939 -166.09 0.2510 9 H3 H1 E 8 6 4 1.092 108.206 62.18 0.0000 10 C4 Cg 3 8 6 4 1.551 110.284 -55.76 0.2670 11 H4 H1 E 10 8 6 1.091 109.469 -178.62 0.0000 12 C5 Cg 3 10 8 6 1.540 109.735 61.11 0.0540 13 H5 H1 E 12 10 8 1.092 108.800 60.69 0.0000 14 C6 C B 12 10 8 1.566 106.527 176.50 0.8960 15 O6A O2 E 14 12 10 1.252 116.529 -102.85 -0.8220 16 O6B O2 E 14 12 10 1.255 117.285 72.11 -0.8220 17 O5 Os E 12 10 8 1.515 109.060 -56.67 -0.4240 18 O4 Oh S 10 8 6 1.455 111.597 -58.02 -0.7040 19 H4O Ho E 18 10 8 0.981 106.629 154.94 0.4290 20 O3 Oh S 8 6 4 1.460 111.666 179.27 -0.7250 21 H3O Ho E 20 8 6 0.964 107.278 -33.23 0.4160 22 O2 Os M 6 4 3 1.464 109.237 -44.39 -0.5340 LOOP O5 C1 DONE 2OB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010 5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000 6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140 7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490 8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000 9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380 10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940 11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940 12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600 13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000 14 O4 Oh S 12 7 6 1.450 109.662 65.53 -0.6610 15 H4O Ho E 14 12 7 0.961 107.547 -173.76 0.4020 16 C3 Cg M 12 7 6 1.548 110.856 -55.41 0.2590 17 H3 H1 E 16 12 7 1.092 108.063 -63.15 0.0000 18 O3 Oh S 16 12 7 1.466 108.667 -179.51 -0.7080 19 H3O Ho E 18 16 12 0.961 109.065 79.16 0.4040 20 C2 Cg M 16 12 7 1.553 111.733 55.81 0.3830 21 H2 H1 E 20 16 12 1.091 109.497 69.57 0.0000 22 O2 Os M 20 16 12 1.460 110.302 -170.66 -0.5250 LOOP C2 C1 DONE 2PA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 25.679 81.482 -135.58 -0.3880 5 C2 Cg B 4 3 2 1.441 84.334 41.09 0.4170 6 C1 Cg 3 5 4 3 1.541 105.286 22.95 0.3270 7 H12 H1 E 6 5 4 1.091 110.581 -61.43 0.0000 8 H11 H1 E 6 5 4 1.091 110.426 58.16 0.0000 9 O1 Oh S 6 5 4 1.436 110.176 178.22 -0.6440 10 H1O Ho E 9 6 5 0.960 109.427 60.11 0.3930 11 C3 Cg 3 5 4 3 1.558 109.931 -101.40 0.1500 12 H3 H1 E 11 5 4 1.091 107.175 170.62 0.0000 13 C4 Cg 3 11 5 4 1.543 115.259 -71.57 0.3940 14 H4 H1 E 13 11 5 1.091 110.047 -172.55 0.0000 15 C5 Cg 3 13 11 5 1.541 108.511 -52.13 0.1530 16 H5 H1 E 15 13 11 1.091 108.437 -65.69 0.0000 17 C6 Cg 3 15 13 11 1.536 113.177 54.52 0.3930 18 H6E H1 E 17 15 13 1.090 110.388 -174.85 0.0000 19 H6A H1 E 17 15 13 1.091 110.767 65.28 0.0000 20 O6 Os E 17 15 13 1.482 109.077 -55.00 -0.5980 21 O5 Oh S 15 13 11 1.437 110.081 176.63 -0.6930 22 H5O Ho E 21 15 13 0.960 109.495 56.94 0.4280 23 O4 Oh S 13 11 5 1.445 109.700 67.72 -0.7020 24 H4O Ho E 23 13 11 0.960 109.435 60.08 0.4320 25 O3 Oh S 11 5 4 1.441 111.232 54.69 -0.6650 26 H3O Ho E 25 11 5 0.960 109.411 -63.14 0.4090 LOOP O6 C2 DONE 2PB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 22.478 98.907 -133.55 -0.3880 5 C2 Cg B 4 3 2 1.428 129.377 -77.23 0.4070 6 O6 Os S 5 4 3 1.479 105.014 -138.52 -0.5400 7 C6 Cg 3 6 5 4 1.483 117.190 -168.90 0.3640 8 H6E H1 E 7 6 5 1.090 109.004 179.12 0.0000 9 H6A H1 E 7 6 5 1.091 109.618 -62.69 0.0000 10 C5 Cg 3 7 6 5 1.540 108.996 58.93 0.1880 11 H5 H1 E 10 7 6 1.091 108.080 63.62 0.0000 12 O5 Oh S 10 7 6 1.454 110.659 -178.62 -0.7050 13 H5O Ho E 12 10 7 0.967 108.400 85.69 0.4330 14 C4 Cg 3 10 7 6 1.546 111.137 -55.37 0.3280 15 H4 H1 E 14 10 7 1.091 109.097 173.70 0.0000 16 O4 Oh S 14 10 7 1.453 109.563 -68.11 -0.6980 17 H4O Ho E 16 14 10 0.967 106.113 178.47 0.4270 18 C3 Cg B 14 10 7 1.548 111.648 53.12 0.1800 19 H3 H1 E 18 14 10 1.092 106.115 68.15 0.0000 20 O3 Oh S 18 14 10 1.462 110.163 -176.47 -0.6810 21 H3O Ho E 20 18 14 0.967 108.335 -167.48 0.4220 22 C1 Cg 3 5 4 3 1.572 108.289 -18.83 0.3790 23 H12 H1 E 22 5 4 1.091 110.003 59.17 0.0000 24 H11 H1 E 22 5 4 1.088 110.382 177.73 0.0000 25 O1 Oh S 22 5 4 1.452 112.720 -61.98 -0.7200 26 H1O Ho E 25 22 5 0.961 109.403 -178.93 0.4100 LOOP C3 C2 DONE 2PD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 25.943 81.496 -135.92 -0.3880 5 C2 Cg B 4 3 2 1.437 43.630 40.16 0.3240 6 C1 Cg 3 5 4 3 1.533 107.381 10.09 0.2860 7 H12 H1 E 6 5 4 1.091 110.436 -64.01 0.0000 8 H11 H1 E 6 5 4 1.091 110.553 56.02 0.0000 9 O1 Oh S 6 5 4 1.434 109.386 175.91 -0.6910 10 H1O Ho E 9 6 5 0.960 109.478 179.30 0.4190 11 C3 Cg 3 5 4 3 1.632 109.019 -116.95 0.3340 12 H3 H1 E 11 5 4 1.090 107.716 147.07 0.0000 13 C4 Cg 3 11 5 4 1.629 107.129 -98.62 0.2820 14 H4 H1 E 13 11 5 1.091 111.828 -141.87 0.0000 15 C5 Cg 3 13 11 5 1.626 106.867 -18.01 0.1940 16 H5 H1 E 15 13 11 1.092 111.109 129.12 0.0000 17 C6 Cg 3 15 13 11 1.529 112.801 -107.47 0.2910 18 H62 H1 E 17 15 13 1.091 110.695 60.83 0.0000 19 H61 H1 E 17 15 13 1.090 110.281 -59.44 0.0000 20 O6 Oh S 17 15 13 1.433 108.604 -178.96 -0.6950 21 H6O Ho E 20 17 15 0.960 109.454 59.02 0.4110 22 O5 Os E 15 13 11 1.580 105.532 10.85 -0.4530 23 O4 Oh S 13 11 5 1.437 109.593 96.29 -0.6830 24 H4O Ho E 23 13 11 0.960 109.464 62.85 0.4210 25 O3 Oh S 11 5 4 1.441 114.290 28.25 -0.6610 26 H3O Ho E 25 11 5 0.960 109.502 178.91 0.4150 LOOP O5 C2 DONE 2PU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 26.138 80.574 -135.32 -0.3880 5 C2 Cg B 4 3 2 1.437 126.507 -112.33 0.2880 6 O5 Os S 5 4 3 1.576 111.558 -156.31 -0.4800 7 C5 Cg 3 6 5 4 1.576 112.884 -112.61 0.3690 8 H5 H1 E 7 6 5 1.092 109.275 -128.49 0.0000 9 C6 Cg 3 7 6 5 1.529 108.414 112.31 0.2150 10 H62 H1 E 9 7 6 1.091 110.659 -56.54 0.0000 11 H61 H1 E 9 7 6 1.090 110.301 -176.80 0.0000 12 O6 Oh S 9 7 6 1.433 108.649 63.62 -0.6780 13 H6O Ho E 12 9 7 0.960 109.500 58.51 0.4210 14 C4 Cg 3 7 6 5 1.623 105.494 -8.76 0.1920 15 H4 H1 E 14 7 6 1.091 112.074 133.66 0.0000 16 O4 Oh S 14 7 6 1.438 106.122 -107.17 -0.7110 17 H4O Ho E 16 14 7 0.960 109.445 -63.95 0.4380 18 C3 Cg B 14 7 6 1.631 107.338 11.41 0.3340 19 H3 H1 E 18 14 7 1.091 107.070 107.51 0.0000 20 O3 Oh S 18 14 7 1.441 112.809 -134.73 -0.7140 21 H3O Ho E 20 18 14 0.960 109.493 -55.92 0.4240 22 C1 Cg 3 5 4 3 1.541 107.882 -37.12 0.3650 23 H12 H1 E 22 5 4 1.091 110.660 54.05 0.0000 24 H11 H1 E 22 5 4 1.090 109.918 173.46 0.0000 25 O1 Oh S 22 5 4 1.437 110.203 -66.84 -0.6870 26 H1O Ho E 25 22 5 0.960 109.513 179.45 0.4180 LOOP C3 C2 DONE 2QA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650 5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000 6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810 7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000 8 C3 Cg 3 6 4 3 1.550 110.755 -28.22 0.3120 9 H3 H1 E 8 6 4 1.092 109.248 69.54 0.0000 10 C4 Cg 3 8 6 4 1.550 112.115 -52.01 0.2080 11 H4 H1 E 10 8 6 1.092 109.113 -67.92 0.0000 12 C5 Cg 3 10 8 6 1.546 111.848 52.85 0.2340 13 H5 H1 E 12 10 8 1.092 108.966 67.39 0.0000 14 C6 Cg 3 12 10 8 1.531 114.081 -171.50 0.0600 15 H63 Hc E 14 12 10 1.091 111.703 58.97 0.0000 16 H62 Hc E 14 12 10 1.091 111.508 -61.39 0.0000 17 H61 Hc E 14 12 10 1.091 111.279 179.14 0.0000 18 O5 Os E 12 10 8 1.487 110.112 -51.22 -0.5590 19 O4 Oh S 10 8 6 1.456 109.169 173.44 -0.6640 20 H4O Ho E 19 10 8 0.963 110.329 161.22 0.4030 21 O3 Oh S 8 6 4 1.451 110.060 -171.22 -0.6970 22 H3O Ho E 21 8 6 0.963 107.525 178.74 0.4240 23 O2 Os M 6 4 3 1.464 109.956 96.40 -0.4670 LOOP O5 C1 DONE 2QB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910 5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000 6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350 7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710 8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000 9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480 10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000 11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000 12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000 13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500 14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000 15 O4 Oh S 13 7 6 1.451 108.892 -172.72 -0.7130 16 H4O Ho E 15 13 7 0.966 107.748 175.11 0.4210 17 C3 Cg M 13 7 6 1.549 111.410 -52.29 0.3000 18 H3 H1 E 17 13 7 1.092 108.988 -68.86 0.0000 19 O3 Oh S 17 13 7 1.454 108.773 173.08 -0.6890 20 H3O Ho E 19 17 13 0.966 107.391 -175.24 0.4200 21 C2 Cg M 17 13 7 1.546 112.577 52.00 0.3230 22 H2 H1 E 21 17 13 1.092 109.469 68.14 0.0000 23 O2 Os M 21 17 13 1.460 109.130 -172.95 -0.4870 LOOP C2 C1 DONE 2RA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880 5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000 6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530 7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000 8 C3 Cg 3 6 4 3 1.542 115.155 -166.91 0.3450 9 H3 H1 E 8 6 4 1.091 110.101 -172.87 0.0000 10 C4 Cg 3 8 6 4 1.542 108.334 -52.41 0.1220 11 H4 H1 E 10 8 6 1.091 108.377 -66.41 0.0000 12 C5 Cg 3 10 8 6 1.537 113.340 53.79 0.3770 13 H5E H1 E 12 10 8 1.090 110.366 -174.24 0.0000 14 H5A H1 E 12 10 8 1.091 110.701 65.98 0.0000 15 O5 Os E 12 10 8 1.483 109.246 -54.31 -0.5610 16 O4 Oh S 10 8 6 1.437 110.093 175.95 -0.6630 17 H4O Ho E 16 10 8 0.960 109.433 -63.23 0.4190 18 O3 Oh S 8 6 4 1.445 109.646 67.35 -0.7370 19 H3O Ho E 18 8 6 0.960 109.441 178.00 0.4430 20 O2 Os M 6 4 3 1.439 110.676 -40.46 -0.4860 LOOP O5 C1 DONE 2RB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810 5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000 6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760 7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350 8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000 9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000 10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360 11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000 12 O4 Oh S 10 7 6 1.453 110.505 -177.82 -0.6950 13 H4O Ho E 12 10 7 0.963 110.348 -165.05 0.4110 14 C3 Cg M 10 7 6 1.548 110.878 -55.20 0.2030 15 H3 H1 E 14 10 7 1.091 109.669 178.81 0.0000 16 O3 Oh S 14 10 7 1.460 108.674 -62.27 -0.6960 17 H3O Ho E 16 14 10 0.965 108.989 -56.44 0.4280 18 C2 Cg M 14 10 7 1.550 108.635 58.91 0.3850 19 H2 H1 E 18 14 10 1.092 108.039 58.75 0.0000 20 O2 Os M 18 14 10 1.459 111.068 175.70 -0.5120 LOOP C2 C1 DONE 2RD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450 5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000 6 C2 Cg M 4 3 2 1.639 108.788 16.92 0.3180 7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000 8 C3 Cg 3 6 4 3 1.641 106.653 138.14 0.2750 9 H3 H1 E 8 6 4 1.090 110.829 -140.13 0.0000 10 C4 Cg 3 8 6 4 1.627 107.074 -17.90 0.3270 11 H4 H1 E 10 8 6 1.091 110.687 126.58 0.0000 12 C5 Cg 3 10 8 6 1.540 111.841 -110.98 0.1950 13 H52 H1 E 12 10 8 1.090 109.854 62.87 0.0000 14 H51 H1 E 12 10 8 1.090 109.790 -55.87 0.0000 15 O5 Oh S 12 10 8 1.441 111.480 -176.24 -0.6670 16 H5O Ho E 15 12 10 0.961 110.927 63.80 0.4080 17 O4 Os E 10 8 6 1.590 104.801 9.06 -0.5130 18 O3 Oh S 8 6 4 1.452 110.052 99.39 -0.7390 19 H3O Ho E 18 8 6 0.969 108.678 -13.86 0.4380 20 O2 Os M 6 4 3 1.461 116.185 -94.11 -0.4870 LOOP O4 C1 DONE 2RU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780 5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000 6 O4 Os M 4 3 2 1.557 127.421 149.85 -0.4240 7 C4 Cg M 6 4 3 1.587 113.195 -122.12 0.1020 8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000 9 C5 Cg 3 7 6 4 1.534 111.781 126.34 0.3380 10 H52 H1 E 9 7 6 1.090 110.006 -172.13 0.0000 11 H51 H1 E 9 7 6 1.090 110.394 -52.52 0.0000 12 O5 Oh S 9 7 6 1.436 109.887 68.16 -0.6920 13 H5O Ho E 12 9 7 0.959 109.586 178.63 0.4150 14 C3 Cg M 7 6 4 1.616 104.949 4.12 0.2890 15 H3 H1 E 14 7 6 1.091 109.320 105.86 0.0000 16 O3 Oh S 14 7 6 1.443 110.518 -134.81 -0.6830 17 H3O Ho E 16 14 7 0.968 106.484 98.07 0.4280 18 C2 Cg M 14 7 6 1.643 107.735 -11.40 0.2930 19 H2 H1 E 18 14 7 1.091 110.396 135.88 0.0000 20 O2 Os M 18 14 7 1.462 110.605 -103.78 -0.4440 LOOP C2 C1 DONE 2TA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560 5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000 6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450 7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000 8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240 9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000 10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340 11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000 12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570 13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000 14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040 15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000 16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000 17 O6 Oh S 14 12 10 1.434 108.863 -172.31 -0.6690 18 H6O Ho E 17 14 12 0.960 109.462 59.57 0.4010 19 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800 20 O4 Oh S 10 8 6 1.443 110.261 -67.82 -0.7310 21 H4O Ho E 20 10 8 0.960 109.459 -179.88 0.4170 22 O3 Oh S 8 6 4 1.439 110.774 -174.86 -0.6870 23 H3O Ho E 22 8 6 0.960 109.479 -54.69 0.4420 24 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130 LOOP O5 C1 DONE 2TB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060 5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000 6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540 7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310 8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000 9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490 10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000 11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000 12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660 13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060 14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140 15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000 16 O4 Oh S 14 7 6 1.443 108.917 69.31 -0.6260 17 H4O Ho E 16 14 7 0.960 109.455 59.28 0.4130 18 C3 Cg M 14 7 6 1.547 110.218 -51.66 0.1740 19 H3 H1 E 18 14 7 1.091 106.762 -67.21 0.0000 20 O3 Oh S 18 14 7 1.439 110.707 177.22 -0.6780 21 H3O Ho E 20 18 14 0.960 109.373 -64.34 0.4250 22 C2 Cg M 18 14 7 1.545 114.890 50.96 0.3400 23 H2 H1 E 22 18 14 1.091 109.957 -172.30 0.0000 24 O2 Os M 22 18 14 1.444 109.766 67.90 -0.4340 LOOP C2 C1 DONE 2TV INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.566 98.776 -135.85 0.4700 5 H1 H1 E 4 3 2 1.090 146.791 164.00 0.0000 6 C2 Cg M 4 3 2 1.563 96.446 20.88 0.1910 7 H2 H1 E 6 4 3 1.091 108.990 87.96 0.0000 8 C3 Cg 3 6 4 3 1.535 113.371 -33.59 -0.0140 9 H32 Hc E 8 6 4 1.093 108.757 71.70 0.0000 10 H31 Hc E 8 6 4 1.093 110.603 -172.97 0.0000 11 C4 Cg 3 8 6 4 1.535 111.168 -49.67 0.3020 12 H4 H1 E 11 8 6 1.091 109.450 -67.40 0.0000 13 C5 Cg 3 11 8 6 1.553 112.112 54.29 0.3010 14 H5 H1 E 13 11 8 1.092 108.905 64.83 0.0000 15 C6 Cg 3 13 11 8 1.530 113.975 -174.02 0.0070 16 H63 Hc E 15 13 11 1.091 111.485 -61.33 0.0000 17 H62 Hc E 15 13 11 1.091 111.681 59.00 0.0000 18 H61 Hc E 15 13 11 1.091 111.306 179.18 0.0000 19 O5 Os E 13 11 8 1.490 110.400 -53.80 -0.5160 20 O4 Oh S 11 8 6 1.446 106.980 175.05 -0.7390 21 H4O Ho E 20 11 8 0.961 109.446 60.50 0.4390 22 O2 Os M 6 4 3 1.451 110.808 -154.07 -0.4410 LOOP O5 C1 DONE 2Tv INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 29.383 69.065 -149.02 0.4280 5 H1 H1 E 4 3 2 1.091 126.101 64.42 0.0000 6 O5 Os M 4 3 2 1.478 96.692 -54.47 -0.4960 7 C5 Cg M 6 4 3 1.481 115.346 -169.68 0.2710 8 H5 H1 E 7 6 4 1.092 108.331 -61.04 0.0000 9 C6 Cg 3 7 6 4 1.530 107.109 -178.07 0.0170 10 H63 Hc E 9 7 6 1.091 111.734 -62.25 0.0000 11 H62 Hc E 9 7 6 1.091 111.279 57.96 0.0000 12 H61 Hc E 9 7 6 1.091 111.431 177.43 0.0000 13 C4 Cg M 7 6 4 1.544 108.725 57.81 0.2960 14 H4 H1 E 13 7 6 1.091 109.448 70.86 0.0000 15 O4 Oh S 13 7 6 1.436 108.510 -170.47 -0.7290 16 H4O Ho E 15 13 7 0.960 109.450 -58.57 0.4250 17 C3 Cg M 13 7 6 1.542 113.120 -51.10 0.0070 18 H32 Hc E 17 13 7 1.093 110.063 -70.43 0.0000 19 H31 Hc E 17 13 7 1.092 110.313 173.67 0.0000 20 C2 Cg M 17 13 7 1.538 111.976 50.24 0.2080 21 H2 H1 E 20 17 13 1.091 109.586 -173.03 0.0000 22 O2 Os M 20 17 13 1.442 107.633 68.93 -0.4270 LOOP C2 C1 DONE 2UA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630 5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000 6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590 7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000 8 C3 Cg 3 6 4 3 1.555 110.585 -134.12 0.4170 9 H3 H1 E 8 6 4 1.092 108.809 -73.26 0.0000 10 C4 Cg 3 8 6 4 1.551 113.490 47.73 0.2230 11 H4 H1 E 10 8 6 1.092 108.495 63.78 0.0000 12 C5 Cg 3 10 8 6 1.541 110.331 -54.77 0.2320 13 H5 H1 E 12 10 8 1.091 107.517 172.11 0.0000 14 C6 C B 12 10 8 1.591 111.292 -72.79 0.6970 15 O6A O2 E 14 12 10 1.252 118.306 124.19 -0.7570 16 O6B O2 E 14 12 10 1.255 117.111 -52.87 -0.7570 17 O5 Os E 12 10 8 1.503 106.777 57.99 -0.5150 18 O4 Oh S 10 8 6 1.461 110.962 -178.03 -0.7110 19 H4O Ho E 18 10 8 0.984 107.477 94.04 0.3970 20 O3 Oh S 8 6 4 1.454 110.391 168.10 -0.7710 21 H3O Ho E 20 8 6 0.966 105.279 -166.24 0.4170 22 O2 Os M 6 4 3 1.469 109.784 103.84 -0.4940 LOOP O5 C1 DONE 2UB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780 5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000 6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300 7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940 8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000 9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500 10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830 11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830 12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080 13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000 14 O4 Oh S 12 7 6 1.456 111.691 177.10 -0.7450 15 H4O Ho E 14 12 7 0.987 106.847 -27.71 0.4220 16 C3 Cg M 12 7 6 1.552 112.015 52.87 0.2860 17 H3 H1 E 16 12 7 1.091 109.935 64.98 0.0000 18 O3 Oh S 16 12 7 1.460 108.958 -175.86 -0.7550 19 H3O Ho E 18 16 12 0.968 105.498 -44.40 0.4210 20 C2 Cg M 16 12 7 1.545 109.635 -56.37 0.2890 21 H2 H1 E 20 16 12 1.091 107.746 -60.80 0.0000 22 O2 Os M 20 16 12 1.455 110.598 -177.09 -0.4520 LOOP C2 C1 DONE 2XA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820 5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000 6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970 7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000 8 C3 Cg 3 6 4 3 1.543 111.214 -33.26 0.3590 9 H3 H1 E 8 6 4 1.092 109.408 69.19 0.0000 10 C4 Cg 3 8 6 4 1.547 112.192 -52.80 0.2470 11 H4 H1 E 10 8 6 1.091 109.623 -66.19 0.0000 12 C5 Cg 3 10 8 6 1.539 110.634 53.97 0.3350 13 H5E H1 E 12 10 8 1.090 109.984 -172.58 0.0000 14 H5A H1 E 12 10 8 1.091 110.140 68.68 0.0000 15 O5 Os E 12 10 8 1.489 111.025 -51.97 -0.5880 16 O4 Oh S 10 8 6 1.453 110.240 174.10 -0.7200 17 H4O Ho E 16 10 8 0.967 107.931 54.72 0.4200 18 O3 Oh S 8 6 4 1.451 108.116 -172.55 -0.7120 19 H3O Ho E 18 8 6 0.966 107.240 -43.40 0.4210 20 O2 Os M 6 4 3 1.464 111.006 90.26 -0.4410 LOOP O5 C1 DONE 2XB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480 5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000 6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470 7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030 8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000 9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000 10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860 11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000 12 O4 Oh S 10 7 6 1.447 108.470 -174.60 -0.7230 13 H4O Ho E 12 10 7 0.966 107.383 173.28 0.4300 14 C3 Cg M 10 7 6 1.546 111.571 -54.26 0.2280 15 H3 H1 E 14 10 7 1.092 109.010 -67.31 0.0000 16 O3 Oh S 14 10 7 1.458 108.945 174.50 -0.6820 17 H3O Ho E 16 14 10 0.967 108.169 -177.96 0.4270 18 C2 Cg M 14 10 7 1.547 111.370 53.00 0.4250 19 H2 H1 E 18 14 10 1.092 109.571 69.62 0.0000 20 O2 Os M 18 14 10 1.452 108.733 -171.44 -0.4950 LOOP C2 C1 DONE 2XD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280 5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000 6 C2 Cg M 4 3 2 1.636 88.449 18.82 0.2480 7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000 8 C3 Cg 3 6 4 3 1.634 106.860 -57.15 0.3020 9 H3 H1 E 8 6 4 1.091 108.695 100.33 0.0000 10 C4 Cg 3 8 6 4 1.626 107.473 -15.89 0.2370 11 H4 H1 E 10 8 6 1.090 108.401 126.25 0.0000 12 C5 Cg 3 10 8 6 1.543 116.861 -110.85 0.2800 13 H52 H1 E 12 10 8 1.090 109.111 -166.53 0.0000 14 H51 H1 E 12 10 8 1.090 111.083 -47.72 0.0000 15 O5 Oh S 12 10 8 1.441 110.629 74.51 -0.6780 16 H5O Ho E 15 12 10 0.962 107.911 53.44 0.4220 17 O4 Os E 10 8 6 1.593 104.822 10.20 -0.5070 18 O3 Oh S 8 6 4 1.447 111.050 -140.89 -0.7140 19 H3O Ho E 18 8 6 0.963 109.068 -54.84 0.4260 20 O2 Os M 6 4 3 1.455 113.910 66.16 -0.4440 LOOP O4 C1 DONE 2XU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880 5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000 6 O4 Os M 4 3 2 1.557 141.976 -176.87 -0.4270 7 C4 Cg M 6 4 3 1.585 113.491 160.80 0.1420 8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000 9 C5 Cg 3 7 6 4 1.541 109.761 121.74 0.2850 10 H52 H1 E 9 7 6 1.091 110.415 -59.53 0.0000 11 H51 H1 E 9 7 6 1.090 109.960 -179.16 0.0000 12 O5 Oh S 9 7 6 1.439 110.113 61.06 -0.6350 13 H5O Ho E 12 9 7 0.959 109.575 48.10 0.3960 14 C3 Cg M 7 6 4 1.626 104.984 -3.27 0.2240 15 H3 H1 E 14 7 6 1.091 107.946 -110.07 0.0000 16 O3 Oh S 14 7 6 1.450 112.399 130.64 -0.6620 17 H3O Ho E 16 14 7 0.964 109.399 168.94 0.4120 18 C2 Cg M 14 7 6 1.636 107.660 8.09 0.3820 19 H2 H1 E 18 14 7 1.091 109.319 108.55 0.0000 20 O2 Os M 18 14 7 1.454 110.186 -132.48 -0.5050 LOOP C2 C1 DONE 2ZA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980 5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000 6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260 7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000 8 C3 Cg 3 6 4 3 1.547 112.398 -166.09 0.3000 9 H3 H1 E 8 6 4 1.092 108.680 71.61 0.0000 10 C4 Cg 3 8 6 4 1.555 112.948 -49.44 0.1930 11 H4 H1 E 10 8 6 1.091 109.268 -72.54 0.0000 12 C5 Cg 3 10 8 6 1.550 113.190 48.46 0.1870 13 H5 H1 E 12 10 8 1.092 106.693 67.16 0.0000 14 C6 C B 12 10 8 1.597 111.674 -179.86 0.7980 15 O6A O2 E 14 12 10 1.259 117.589 -37.92 -0.7870 16 O6B O2 E 14 12 10 1.252 118.424 145.06 -0.7870 17 O5 Os E 12 10 8 1.515 110.155 -47.11 -0.5440 18 O4 Oh S 10 8 6 1.452 109.657 168.36 -0.6820 19 H4O Ho E 18 10 8 0.983 105.869 -171.10 0.4220 20 O3 Oh S 8 6 4 1.458 107.208 -171.22 -0.7430 21 H3O Ho E 20 8 6 0.962 107.044 -49.33 0.4390 22 O2 Os M 6 4 3 1.467 110.139 -42.45 -0.5200 LOOP O5 C1 DONE 2ZB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510 5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000 6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130 7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750 8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000 9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930 10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180 11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180 12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670 13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000 14 O4 Oh S 12 7 6 1.449 108.907 -172.84 -0.7330 15 H4O Ho E 14 12 7 0.987 105.292 -42.75 0.4290 16 C3 Cg M 12 7 6 1.552 113.280 -51.87 0.2660 17 H3 H1 E 16 12 7 1.092 108.760 -69.98 0.0000 18 O3 Oh S 16 12 7 1.459 107.412 172.72 -0.7010 19 H3O Ho E 18 16 12 0.966 105.666 48.32 0.4030 20 C2 Cg M 16 12 7 1.551 112.291 50.40 0.4110 21 H2 H1 E 20 16 12 1.092 109.200 71.99 0.0000 22 O2 Os M 20 16 12 1.458 111.055 -168.01 -0.5120 LOOP C2 C1 DONE 2aA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480 5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000 6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640 7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790 8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000 9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000 10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450 11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000 12 O4 Oh S 10 7 6 1.437 109.023 178.50 -0.7480 13 H4O Ho E 12 10 7 0.960 109.412 -63.47 0.4340 14 C3 Cg M 10 7 6 1.543 112.944 55.64 0.3350 15 H3 H1 E 14 10 7 1.091 109.892 -174.01 0.0000 16 O3 Oh S 14 10 7 1.441 110.011 67.03 -0.7720 17 H3O Ho E 16 14 10 0.960 109.473 179.30 0.4610 18 C2 Cg M 14 10 7 1.543 111.532 -51.47 0.2680 19 H2 H1 E 18 14 10 1.092 109.910 169.41 0.0000 20 O2 Os M 18 14 10 1.437 107.286 -74.11 -0.4860 LOOP C2 C1 DONE 2aB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790 5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000 6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000 7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000 8 C3 Cg 3 6 4 3 1.543 109.402 134.96 0.2970 9 H3 H1 E 8 6 4 1.091 109.527 174.23 0.0000 10 C4 Cg 3 8 6 4 1.551 111.469 53.21 0.2240 11 H4 H1 E 10 8 6 1.091 108.923 64.26 0.0000 12 C5 Cg 3 10 8 6 1.546 111.087 -54.81 0.3560 13 H5A H1 E 12 10 8 1.091 110.570 -66.53 0.0000 14 H5E H1 E 12 10 8 1.090 109.958 174.33 0.0000 15 O5 Os E 12 10 8 1.485 110.184 54.27 -0.5290 16 O4 Oh S 10 8 6 1.458 110.429 -177.71 -0.7300 17 H4O Ho E 16 10 8 0.964 110.010 -85.04 0.4400 18 O3 Oh S 8 6 4 1.454 108.942 -67.85 -0.6680 19 H3O Ho E 18 8 6 0.966 107.607 169.51 0.4070 20 O2 Os M 6 4 3 1.460 111.691 -105.49 -0.4760 LOOP O5 C1 DONE 2aD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680 5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000 6 O4 Os M 4 3 2 1.561 59.259 -79.14 -0.4530 7 C4 Cg M 6 4 3 1.585 113.130 -121.92 0.1470 8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000 9 C5 Cg 3 7 6 4 1.531 111.011 -129.51 0.3380 10 H51 H1 E 9 7 6 1.090 110.161 -65.64 0.0000 11 H52 H1 E 9 7 6 1.090 110.286 174.71 0.0000 12 O5 Oh S 9 7 6 1.438 109.271 54.27 -0.6960 13 H5O Ho E 12 9 7 0.963 107.879 -70.16 0.3990 14 C3 Cg M 7 6 4 1.617 105.385 -6.71 0.3700 15 H3 H1 E 14 7 6 1.091 110.266 -112.89 0.0000 16 O3 Oh S 14 7 6 1.445 109.680 127.75 -0.7030 17 H3O Ho E 16 14 7 0.962 109.189 179.20 0.4040 18 C2 Cg M 14 7 6 1.638 107.830 6.88 0.2780 19 H2 H1 E 18 14 7 1.092 109.588 114.25 0.0000 20 O2 Os M 18 14 7 1.459 110.296 -126.81 -0.4520 LOOP C2 C1 DONE 2aU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770 5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000 6 C2 Cg M 4 3 2 1.636 130.777 -176.24 0.3280 7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000 8 C3 Cg 3 6 4 3 1.636 107.243 -120.25 0.2150 9 H3 H1 E 8 6 4 1.091 109.548 106.72 0.0000 10 C4 Cg 3 8 6 4 1.623 107.636 -12.21 0.3270 11 H4 H1 E 10 8 6 1.091 110.021 -108.06 0.0000 12 C5 Cg 3 10 8 6 1.536 113.561 128.49 0.2270 13 H51 H1 E 12 10 8 1.090 110.273 60.89 0.0000 14 H52 H1 E 12 10 8 1.090 110.003 -58.63 0.0000 15 O5 Oh S 12 10 8 1.440 109.976 -178.69 -0.6500 16 H5O Ho E 15 12 10 0.963 109.100 48.75 0.3970 17 O4 Os E 10 8 6 1.592 104.988 8.35 -0.5320 18 O3 Oh S 8 6 4 1.449 110.684 -133.44 -0.7280 19 H3O Ho E 18 8 6 0.965 109.557 -66.15 0.4370 20 O2 Os M 6 4 3 1.456 114.449 2.64 -0.4980 LOOP O4 C1 DONE 2bA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.129 115.486 -131.25 -0.3880 5 C2 Cg B 4 3 2 1.443 107.697 125.57 0.1300 6 O6 Os S 5 4 3 1.483 105.248 -114.66 -0.5070 7 C6 Cg 3 6 5 4 1.491 117.309 -65.69 0.3410 8 H6A H1 E 7 6 5 1.091 108.839 69.58 0.0000 9 H6E H1 E 7 6 5 1.090 108.907 -173.08 0.0000 10 C5 Cg 3 7 6 5 1.544 111.103 -51.77 0.2240 11 H5 H1 E 10 7 6 1.091 108.357 -70.02 0.0000 12 O5 Oh S 10 7 6 1.455 108.467 172.51 -0.6900 13 H5O Ho E 12 10 7 0.963 109.307 159.42 0.4290 14 C4 Cg 3 10 7 6 1.550 111.673 50.56 0.3350 15 H4 H1 E 14 10 7 1.092 110.207 65.56 0.0000 16 O4 Oh S 14 10 7 1.461 109.228 -175.33 -0.7240 17 H4O Ho E 16 14 10 0.964 108.580 -89.49 0.4210 18 C3 Cg B 14 10 7 1.548 109.394 -55.39 0.3720 19 H3 H1 E 18 14 10 1.092 107.364 -59.65 0.0000 20 O3 Oh S 18 14 10 1.456 111.878 -176.69 -0.7160 21 H3O Ho E 20 18 14 0.964 107.033 43.80 0.4300 22 C1 Cg 3 5 4 3 1.560 108.017 3.54 0.4280 23 H11 H1 E 22 5 4 1.090 109.813 -68.67 0.0000 24 H12 H1 E 22 5 4 1.091 110.098 49.75 0.0000 25 O1 Oh S 22 5 4 1.443 112.003 170.24 -0.6780 26 H1O Ho E 25 22 5 0.961 107.457 -73.22 0.3990 LOOP C3 C2 DONE 2bB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.394 116.308 -131.58 -0.3880 5 C2 Cg B 4 3 2 1.435 126.708 -54.29 0.2270 6 C1 Cg 3 5 4 3 1.563 108.115 -13.47 0.2810 7 H11 H1 E 6 5 4 1.090 110.121 -173.85 0.0000 8 H12 H1 E 6 5 4 1.091 110.325 -55.14 0.0000 9 O1 Oh S 6 5 4 1.444 111.743 65.73 -0.6260 10 H1O Ho E 9 6 5 0.960 109.452 -179.75 0.3950 11 C3 Cg 3 5 4 3 1.564 108.613 -136.97 0.4640 12 H3 H1 E 11 5 4 1.092 108.642 -47.43 0.0000 13 C4 Cg 3 11 5 4 1.550 112.585 -167.49 0.1080 14 H4 H1 E 13 11 5 1.092 109.044 -68.01 0.0000 15 C5 Cg 3 13 11 5 1.545 110.670 52.19 0.3400 16 H5 H1 E 15 13 11 1.091 109.543 69.26 0.0000 17 C6 Cg 3 15 13 11 1.543 112.662 -52.18 0.3110 18 H6A H1 E 17 15 13 1.091 110.545 -68.04 0.0000 19 H6E H1 E 17 15 13 1.090 110.160 172.58 0.0000 20 O6 Os E 17 15 13 1.485 109.751 52.43 -0.4770 21 O5 Oh S 15 13 11 1.444 107.942 -172.32 -0.7200 22 H5O Ho E 21 15 13 0.966 106.322 -48.08 0.4290 23 O4 Oh S 13 11 5 1.460 110.433 173.08 -0.6750 24 H4O Ho E 23 13 11 0.968 108.634 54.62 0.4350 25 O3 Oh S 11 5 4 1.453 110.350 70.92 -0.7300 26 H3O Ho E 25 11 5 0.965 106.403 -56.73 0.4320 LOOP O6 C2 DONE 2bD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.194 115.296 -131.85 -0.3880 5 C2 Cg B 4 3 2 1.435 79.226 147.38 0.2410 6 O5 Os S 5 4 3 1.565 103.604 -99.26 -0.4520 7 C5 Cg 3 6 5 4 1.587 113.494 -106.37 0.2710 8 H5 H1 E 7 6 5 1.091 109.010 115.27 0.0000 9 C6 Cg 3 7 6 5 1.543 109.502 -125.08 0.2810 10 H61 H1 E 9 7 6 1.090 110.249 169.67 0.0000 11 H62 H1 E 9 7 6 1.091 109.980 50.42 0.0000 12 O6 Oh S 9 7 6 1.443 110.886 -70.57 -0.6790 13 H6O Ho E 12 9 7 0.959 110.164 -69.40 0.4110 14 C4 Cg 3 7 6 5 1.626 104.732 -0.82 0.2250 15 H4 H1 E 14 7 6 1.091 107.421 106.22 0.0000 16 O4 Oh S 14 7 6 1.457 113.168 -134.63 -0.7100 17 H4O Ho E 16 14 7 0.965 109.577 -164.20 0.4350 18 C3 Cg B 14 7 6 1.636 107.413 -10.45 0.4400 19 H3 H1 E 18 14 7 1.090 107.628 -98.64 0.0000 20 O3 Oh S 18 14 7 1.453 110.696 144.44 -0.7320 21 H3O Ho E 20 18 14 0.959 109.052 117.13 0.4040 22 C1 Cg 3 5 4 3 1.546 109.248 19.74 0.3130 23 H11 H1 E 22 5 4 1.091 109.856 -61.94 0.0000 24 H12 H1 E 22 5 4 1.090 110.325 57.18 0.0000 25 O1 Oh S 22 5 4 1.443 110.871 177.70 -0.6680 26 H1O Ho E 25 22 5 0.961 109.037 163.85 0.4140 LOOP C3 C2 DONE 2bU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.774 115.912 -131.39 -0.3880 5 C2 Cg B 4 3 2 1.436 110.928 -57.40 0.2470 6 C1 Cg 3 5 4 3 1.553 109.755 -5.97 0.2990 7 H11 H1 E 6 5 4 1.091 109.538 -178.40 0.0000 8 H12 H1 E 6 5 4 1.091 110.361 -59.58 0.0000 9 O1 Oh S 6 5 4 1.445 111.462 61.50 -0.6270 10 H1O Ho E 9 6 5 0.960 109.374 172.60 0.3820 11 C3 Cg 3 5 4 3 1.635 109.084 -131.95 0.3820 12 H3 H1 E 11 5 4 1.091 108.980 -10.10 0.0000 13 C4 Cg 3 11 5 4 1.637 107.249 -126.97 0.2830 14 H4 H1 E 13 11 5 1.091 108.865 -102.82 0.0000 15 C5 Cg 3 13 11 5 1.624 107.577 13.45 0.2100 16 H5 H1 E 15 13 11 1.091 108.969 -127.62 0.0000 17 C6 Cg 3 15 13 11 1.541 114.994 109.54 0.3320 18 H61 H1 E 17 15 13 1.090 109.861 59.82 0.0000 19 H62 H1 E 17 15 13 1.090 110.302 -59.54 0.0000 20 O6 Oh S 17 15 13 1.442 110.695 179.56 -0.7010 21 H6O Ho E 20 17 15 0.959 110.169 -52.94 0.4090 22 O5 Os E 15 13 11 1.582 104.801 -11.31 -0.3850 23 O4 Oh S 13 11 5 1.453 111.864 137.73 -0.7550 24 H4O Ho E 23 13 11 0.964 109.402 67.17 0.4340 25 O3 Oh S 11 5 4 1.455 113.678 110.10 -0.7420 26 H3O Ho E 25 11 5 0.963 108.479 -78.45 0.4260 LOOP O5 C2 DONE 2cA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 31.946 115.707 -131.20 -0.3880 5 C2 Cg B 4 3 2 1.424 115.572 124.40 0.3450 6 O6 Os S 5 4 3 1.483 104.274 -114.21 -0.6200 7 C6 Cg 3 6 5 4 1.483 118.572 -74.26 0.4370 8 H6A H1 E 7 6 5 1.091 109.541 67.42 0.0000 9 H6E H1 E 7 6 5 1.090 108.752 -174.83 0.0000 10 C5 Cg 3 7 6 5 1.538 109.646 -54.60 0.1950 11 H5 H1 E 10 7 6 1.091 108.701 -59.59 0.0000 12 O5 Oh S 10 7 6 1.462 111.474 -178.00 -0.7090 13 H5O Ho E 12 10 7 0.964 110.741 83.12 0.4150 14 C4 Cg 3 10 7 6 1.544 109.577 58.96 0.3670 15 H4 H1 E 14 10 7 1.091 108.427 -177.56 0.0000 16 O4 Oh S 14 10 7 1.450 110.035 65.74 -0.7200 17 H4O Ho E 16 14 10 0.965 107.347 50.59 0.3940 18 C3 Cg B 14 10 7 1.551 112.343 -57.29 0.2470 19 H3 H1 E 18 14 10 1.092 108.943 168.11 0.0000 20 O3 Oh S 18 14 10 1.466 107.388 -76.78 -0.6550 21 H3O Ho E 20 18 14 0.965 109.737 -75.75 0.4060 22 C1 Cg 3 5 4 3 1.567 106.274 2.38 0.3860 23 H11 H1 E 22 5 4 1.091 110.132 -53.26 0.0000 24 H12 H1 E 22 5 4 1.091 109.446 64.91 0.0000 25 O1 Oh S 22 5 4 1.446 112.801 -174.36 -0.6960 26 H1O Ho E 25 22 5 0.968 106.626 -39.29 0.4020 LOOP C3 C2 DONE 2cB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.473 116.449 -131.62 -0.3880 5 C2 Cg B 4 3 2 1.438 126.476 -52.44 0.2440 6 C1 Cg 3 5 4 3 1.563 106.384 -13.56 0.2970 7 H11 H1 E 6 5 4 1.088 110.800 -179.57 0.0000 8 H12 H1 E 6 5 4 1.091 110.065 -60.55 0.0000 9 O1 Oh S 6 5 4 1.447 111.733 60.37 -0.6690 10 H1O Ho E 9 6 5 0.961 109.456 178.60 0.4010 11 C3 Cg 3 5 4 3 1.569 108.922 -135.57 0.3170 12 H3 H1 E 11 5 4 1.091 109.321 73.06 0.0000 13 C4 Cg 3 11 5 4 1.551 113.143 -164.40 0.3440 14 H4 H1 E 13 11 5 1.091 109.341 168.38 0.0000 15 C5 Cg 3 13 11 5 1.549 111.995 47.93 0.1950 16 H5 H1 E 15 13 11 1.091 108.324 67.05 0.0000 17 C6 Cg 3 15 13 11 1.539 112.024 -51.70 0.3650 18 H6A H1 E 17 15 13 1.091 110.698 -66.37 0.0000 19 H6E H1 E 17 15 13 1.090 110.083 174.22 0.0000 20 O6 Os E 17 15 13 1.482 109.460 54.46 -0.4600 21 O5 Oh S 15 13 11 1.457 110.756 -175.28 -0.6840 22 H5O Ho E 21 15 13 0.965 109.084 44.29 0.4150 23 O4 Oh S 13 11 5 1.459 109.536 -74.38 -0.6980 24 H4O Ho E 23 13 11 0.964 108.929 -91.80 0.4170 25 O3 Oh S 11 5 4 1.453 110.172 -44.91 -0.6970 26 H3O Ho E 25 11 5 0.968 105.774 30.26 0.4070 LOOP O6 C2 DONE 2cD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.291 115.522 -131.88 -0.3880 5 C2 Cg B 4 3 2 1.430 72.474 140.69 0.2840 6 O5 Os S 5 4 3 1.564 104.289 -102.44 -0.4980 7 C5 Cg 3 6 5 4 1.584 113.350 -104.54 0.3090 8 H5 H1 E 7 6 5 1.092 109.375 118.93 0.0000 9 C6 Cg 3 7 6 5 1.538 110.489 -119.98 0.2650 10 H61 H1 E 9 7 6 1.090 109.956 165.98 0.0000 11 H62 H1 E 9 7 6 1.091 109.952 47.12 0.0000 12 O6 Oh S 9 7 6 1.442 111.246 -74.00 -0.6640 13 H6O Ho E 12 9 7 0.960 110.855 -67.48 0.4120 14 C4 Cg 3 7 6 5 1.621 104.926 0.33 0.3320 15 H4 H1 E 14 7 6 1.091 111.196 -131.00 0.0000 16 O4 Oh S 14 7 6 1.453 109.530 109.63 -0.7840 17 H4O Ho E 16 14 7 0.965 110.375 -68.04 0.4440 18 C3 Cg B 14 7 6 1.638 107.987 -8.85 0.2820 19 H3 H1 E 18 14 7 1.091 111.251 134.95 0.0000 20 O3 Oh S 18 14 7 1.460 108.216 -106.61 -0.7160 21 H3O Ho E 20 18 14 0.965 109.355 -77.40 0.4320 22 C1 Cg 3 5 4 3 1.556 109.577 17.77 0.3700 23 H11 H1 E 22 5 4 1.091 110.210 -59.03 0.0000 24 H12 H1 E 22 5 4 1.091 109.651 59.82 0.0000 25 O1 Oh S 22 5 4 1.441 111.328 179.99 -0.6880 26 H1O Ho E 25 22 5 0.970 106.366 -49.38 0.4140 LOOP C3 C2 DONE 2cU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 38.320 123.952 -139.52 -0.3880 5 C2 Cg B 4 3 2 1.441 121.077 -29.33 0.2390 6 C1 Cg 3 5 4 3 1.537 107.629 18.26 0.2870 7 H11 H1 E 6 5 4 1.091 109.952 -173.28 0.0000 8 H12 H1 E 6 5 4 1.091 110.638 -53.99 0.0000 9 O1 Oh S 6 5 4 1.437 110.256 67.02 -0.6240 10 H1O Ho E 9 6 5 0.960 109.490 179.97 0.4010 11 C3 Cg 3 5 4 3 1.636 111.508 -104.26 0.3330 12 H3 H1 E 11 5 4 1.091 111.948 103.39 0.0000 13 C4 Cg 3 11 5 4 1.624 107.103 -133.05 0.2930 14 H4 H1 E 13 11 5 1.092 112.868 136.79 0.0000 15 C5 Cg 3 13 11 5 1.622 107.882 12.29 0.3100 16 H5 H1 E 15 13 11 1.092 110.981 -127.12 0.0000 17 C6 Cg 3 15 13 11 1.529 112.711 109.36 0.2720 18 H61 H1 E 17 15 13 1.090 110.315 59.90 0.0000 19 H62 H1 E 17 15 13 1.091 110.618 -60.32 0.0000 20 O6 Oh S 17 15 13 1.433 108.667 179.51 -0.6520 21 H6O Ho E 20 17 15 0.960 109.494 -59.32 0.3970 22 O5 Os E 15 13 11 1.577 105.503 -8.77 -0.4490 23 O4 Oh S 13 11 5 1.434 107.032 -103.41 -0.7630 24 H4O Ho E 23 13 11 0.960 109.480 178.44 0.4310 25 O3 Oh S 11 5 4 1.439 111.311 -18.70 -0.6910 26 H3O Ho E 25 11 5 0.960 109.418 61.51 0.4100 LOOP O5 C2 DONE 2dA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980 5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000 6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870 7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750 8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000 9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000 10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510 11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000 12 O4 Oh S 10 7 6 1.447 108.472 171.92 -0.7110 13 H4O Ho E 12 10 7 0.966 106.152 -168.99 0.4220 14 C3 Cg M 10 7 6 1.545 110.247 52.70 0.1840 15 H3 H1 E 14 10 7 1.091 108.583 60.91 0.0000 16 O3 Oh S 14 10 7 1.459 110.859 178.21 -0.6550 17 H3O Ho E 16 14 10 0.962 110.146 169.76 0.4170 18 C2 Cg M 14 10 7 1.549 111.008 -57.45 0.2460 19 H2 H1 E 18 14 10 1.091 109.256 175.96 0.0000 20 O2 Os M 18 14 10 1.458 110.247 -65.62 -0.4400 LOOP C2 C1 DONE 2dB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480 5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000 6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260 7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000 8 C3 Cg 3 6 4 3 1.543 109.102 -97.36 0.2010 9 H3 H1 E 8 6 4 1.092 108.078 -65.99 0.0000 10 C4 Cg 3 8 6 4 1.543 112.432 54.46 0.3350 11 H4 H1 E 10 8 6 1.091 110.326 70.31 0.0000 12 C5 Cg 3 10 8 6 1.539 111.797 -51.79 0.2750 13 H5A H1 E 12 10 8 1.092 110.541 -69.74 0.0000 14 H5E H1 E 12 10 8 1.090 110.214 170.80 0.0000 15 O5 Os E 12 10 8 1.480 110.071 50.34 -0.5190 16 O4 Oh S 10 8 6 1.436 108.765 -169.83 -0.7090 17 H4O Ho E 16 10 8 0.960 109.449 -59.99 0.4360 18 O3 Oh S 8 6 4 1.440 109.342 176.73 -0.7010 19 H3O Ho E 18 8 6 0.960 109.476 177.81 0.4320 20 O2 Os M 6 4 3 1.446 108.761 21.88 -0.4240 LOOP O5 C1 DONE 2dD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800 5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000 6 O4 Os M 4 3 2 1.562 69.561 -75.86 -0.4230 7 C4 Cg M 6 4 3 1.588 112.912 -129.70 0.1890 8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000 9 C5 Cg 3 7 6 4 1.537 110.486 -136.68 0.3050 10 H51 H1 E 9 7 6 1.090 110.600 57.42 0.0000 11 H52 H1 E 9 7 6 1.090 110.349 177.71 0.0000 12 O5 Oh S 9 7 6 1.438 108.908 -62.47 -0.6970 13 H5O Ho E 12 9 7 0.962 108.141 56.44 0.4140 14 C3 Cg M 7 6 4 1.624 104.960 -9.27 0.2980 15 H3 H1 E 14 7 6 1.090 111.418 136.70 0.0000 16 O3 Oh S 14 7 6 1.446 109.315 -102.58 -0.6780 17 H3O Ho E 16 14 7 0.969 106.468 140.77 0.4170 18 C2 Cg M 14 7 6 1.641 106.916 15.19 0.2290 19 H2 H1 E 18 14 7 1.091 107.286 100.85 0.0000 20 O2 Os M 18 14 7 1.459 112.998 -140.55 -0.4340 LOOP C2 C1 DONE 2dU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360 5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000 6 C2 Cg M 4 3 2 1.640 133.355 -123.59 0.2840 7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000 8 C3 Cg 3 6 4 3 1.642 106.290 136.04 0.3000 9 H3 H1 E 8 6 4 1.091 107.886 -101.19 0.0000 10 C4 Cg 3 8 6 4 1.620 107.806 14.92 0.1350 11 H4 H1 E 10 8 6 1.091 108.974 -127.93 0.0000 12 C5 Cg 3 10 8 6 1.542 114.725 109.52 0.3730 13 H51 H1 E 12 10 8 1.090 109.887 61.57 0.0000 14 H52 H1 E 12 10 8 1.091 110.456 -58.00 0.0000 15 O5 Oh S 12 10 8 1.439 110.322 -178.69 -0.7250 16 H5O Ho E 15 12 10 0.959 109.321 -36.11 0.4180 17 O4 Os E 10 8 6 1.588 104.668 -11.75 -0.5170 18 O3 Oh S 8 6 4 1.446 112.188 139.89 -0.6420 19 H3O Ho E 18 8 6 0.970 106.239 -9.38 0.4050 20 O2 Os M 6 4 3 1.464 111.148 -105.13 -0.4670 LOOP O4 C1 DONE 2eA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800 5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000 6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870 7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740 8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000 9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590 10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000 11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000 12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630 13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060 14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610 15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000 16 O4 Oh S 14 7 6 1.439 109.886 177.28 -0.7210 17 H4O Ho E 16 14 7 0.960 109.412 -63.34 0.4150 18 C3 Cg M 14 7 6 1.544 113.133 54.81 0.3280 19 H3 H1 E 18 14 7 1.091 109.843 -174.05 0.0000 20 O3 Oh S 18 14 7 1.442 110.012 67.08 -0.7140 21 H3O Ho E 20 18 14 0.960 109.461 179.72 0.4200 22 C2 Cg M 18 14 7 1.541 111.809 -51.50 0.1790 23 H2 H1 E 22 18 14 1.092 109.967 169.74 0.0000 24 O2 Os M 22 18 14 1.437 107.327 -73.67 -0.4370 LOOP C2 C1 DONE 2eB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880 5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000 6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840 7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000 8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150 9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000 10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200 11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000 12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570 13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000 14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780 15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000 16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000 17 O6 Oh S 14 12 10 1.439 109.977 -179.42 -0.6770 18 H6O Ho E 17 14 12 0.962 108.042 50.79 0.4080 19 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320 20 O4 Oh S 10 8 6 1.457 110.079 -178.65 -0.7240 21 H4O Ho E 20 10 8 0.964 110.039 -78.83 0.4200 22 O3 Oh S 8 6 4 1.454 108.210 -66.23 -0.6810 23 H3O Ho E 22 8 6 0.965 108.397 172.17 0.4030 24 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590 LOOP O5 C1 DONE 2fA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990 5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000 6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940 7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870 8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000 9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650 10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000 11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000 12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000 13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630 14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000 15 O4 Oh S 13 7 6 1.452 110.366 -71.52 -0.7390 16 H4O Ho E 15 13 7 0.966 107.152 175.93 0.4470 17 C3 Cg M 13 7 6 1.549 111.442 50.00 0.2280 18 H3 H1 E 17 13 7 1.091 108.535 63.68 0.0000 19 O3 Oh S 17 13 7 1.464 109.243 -179.40 -0.6930 20 H3O Ho E 19 17 13 0.965 108.720 -158.83 0.4260 21 C2 Cg M 17 13 7 1.550 109.944 -55.77 0.4560 22 H2 H1 E 21 17 13 1.091 109.004 -59.37 0.0000 23 O2 Os M 21 17 13 1.463 111.178 -176.89 -0.5450 LOOP C2 C1 DONE 2fB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180 5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000 6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460 7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000 8 C3 Cg 3 6 4 3 1.542 111.933 150.88 0.2550 9 H3 H1 E 8 6 4 1.092 108.986 -69.25 0.0000 10 C4 Cg 3 8 6 4 1.542 112.898 50.54 0.2290 11 H4 H1 E 10 8 6 1.091 109.948 -175.33 0.0000 12 C5 Cg 3 10 8 6 1.543 109.625 -54.44 0.1060 13 H5 H1 E 12 10 8 1.092 108.258 -61.07 0.0000 14 C6 Cg 3 12 10 8 1.531 115.663 178.40 0.0920 15 H61 Hc E 14 12 10 1.091 111.160 177.14 0.0000 16 H62 Hc E 14 12 10 1.091 112.070 -62.71 0.0000 17 H63 Hc E 14 12 10 1.091 111.199 57.72 0.0000 18 O5 Os E 12 10 8 1.481 108.818 56.43 -0.4420 19 O4 Oh S 10 8 6 1.445 109.758 64.85 -0.6590 20 H4O Ho E 19 10 8 0.960 109.451 -179.30 0.4230 21 O3 Oh S 8 6 4 1.440 109.807 172.76 -0.6760 22 H3O Ho E 21 8 6 0.960 109.419 57.20 0.4270 23 O2 Os M 6 4 3 1.439 107.580 32.59 -0.5190 LOOP O5 C1 DONE 2gA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090 5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000 6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740 7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830 8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000 9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760 10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000 11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000 12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820 13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180 14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540 15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000 16 O4 Oh S 14 7 6 1.451 108.995 172.71 -0.7100 17 H4O Ho E 16 14 7 0.968 107.227 -172.23 0.4360 18 C3 Cg M 14 7 6 1.547 111.254 52.54 0.2860 19 H3 H1 E 18 14 7 1.092 109.616 66.99 0.0000 20 O3 Oh S 18 14 7 1.452 108.604 -174.42 -0.6990 21 H3O Ho E 20 18 14 0.967 107.382 165.20 0.4270 22 C2 Cg M 18 14 7 1.543 112.114 -54.50 0.2460 23 H2 H1 E 22 18 14 1.091 108.373 -65.99 0.0000 24 O2 Os M 22 18 14 1.465 110.086 176.46 -0.4700 LOOP C2 C1 DONE 2gB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840 5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000 6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100 7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000 8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840 9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000 10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760 11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000 12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250 13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000 14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820 15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000 16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000 17 O6 Oh S 14 12 10 1.440 109.810 -178.39 -0.6880 18 H6O Ho E 17 14 12 0.962 108.265 53.10 0.4240 19 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710 20 O4 Oh S 10 8 6 1.448 109.104 -173.75 -0.7140 21 H4O Ho E 20 10 8 0.967 107.435 -50.50 0.4400 22 O3 Oh S 8 6 4 1.454 109.219 172.60 -0.7090 23 H3O Ho E 22 8 6 0.967 107.396 52.27 0.4320 24 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750 LOOP O5 C1 DONE 2hA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940 5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000 6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610 7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790 8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000 9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230 10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000 11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000 12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000 13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870 14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000 15 O4 Oh S 13 7 6 1.456 109.491 172.11 -0.6440 16 H4O Ho E 15 13 7 0.963 110.183 73.83 0.4050 17 C3 Cg M 13 7 6 1.545 110.317 52.49 0.2360 18 H3 H1 E 17 13 7 1.092 108.830 64.14 0.0000 19 O3 Oh S 17 13 7 1.452 109.689 -178.23 -0.6490 20 H3O Ho E 19 17 13 0.965 106.808 -52.52 0.4250 21 C2 Cg M 17 13 7 1.545 112.380 -55.89 0.2480 22 H2 H1 E 21 17 13 1.091 109.364 174.25 0.0000 23 O2 Os M 21 17 13 1.456 109.714 -67.50 -0.4430 LOOP C2 C1 DONE 2hB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810 5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000 6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430 7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000 8 C3 Cg 3 6 4 3 1.542 108.951 -149.17 0.1820 9 H3 H1 E 8 6 4 1.092 107.999 -65.80 0.0000 10 C4 Cg 3 8 6 4 1.543 112.684 54.72 0.3880 11 H4 H1 E 10 8 6 1.092 109.930 71.13 0.0000 12 C5 Cg 3 10 8 6 1.547 112.131 -51.25 0.1720 13 H5 H1 E 12 10 8 1.092 109.230 -69.17 0.0000 14 C6M Cg 3 12 10 8 1.530 114.214 169.13 0.0390 15 H3M Hc E 14 12 10 1.091 111.441 61.33 0.0000 16 H2M Hc E 14 12 10 1.091 111.709 -58.98 0.0000 17 H1M Hc E 14 12 10 1.091 111.297 -179.18 0.0000 18 O5 Os E 12 10 8 1.483 109.717 48.94 -0.4270 19 O4 Oh S 10 8 6 1.438 108.082 -169.72 -0.7280 20 H4O Ho E 19 10 8 0.960 109.440 -179.68 0.4320 21 O3 Oh S 8 6 4 1.440 109.222 177.05 -0.6650 22 H3O Ho E 21 8 6 0.960 109.425 178.23 0.4180 23 O2 Os M 6 4 3 1.446 108.900 -29.97 -0.4350 LOOP O5 C1 DONE 2jA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.143 115.609 -131.35 -0.3880 5 C2 Cg B 4 3 2 1.436 107.605 124.51 0.1140 6 O6 Os S 5 4 3 1.482 105.995 -111.45 -0.5040 7 C6 Cg 3 6 5 4 1.489 118.583 -68.57 0.3680 8 H6A H1 E 7 6 5 1.091 108.585 71.14 0.0000 9 H6E H1 E 7 6 5 1.090 108.936 -171.67 0.0000 10 C5 Cg 3 7 6 5 1.541 111.422 -50.10 0.2730 11 H5 H1 E 10 7 6 1.091 109.320 -69.49 0.0000 12 O5 Oh S 10 7 6 1.453 108.662 172.04 -0.6990 13 H5O Ho E 12 10 7 0.965 108.090 -177.58 0.4190 14 C4 Cg 3 10 7 6 1.547 110.532 51.66 0.2810 15 H4 H1 E 14 10 7 1.091 108.842 63.65 0.0000 16 O4 Oh S 14 10 7 1.460 110.450 -178.37 -0.6720 17 H4O Ho E 16 14 10 0.964 109.388 -155.63 0.4130 18 C3 Cg B 14 10 7 1.550 111.417 -56.44 0.2710 19 H3 H1 E 18 14 10 1.091 109.045 176.24 0.0000 20 O3 Oh S 18 14 10 1.458 108.952 -66.09 -0.6540 21 H3O Ho E 20 18 14 0.966 107.634 -43.74 0.4250 22 C1 Cg 3 5 4 3 1.562 107.302 6.60 0.4100 23 H11 H1 E 22 5 4 1.091 110.432 -54.56 0.0000 24 H12 H1 E 22 5 4 1.091 109.780 64.37 0.0000 25 O1 Oh S 22 5 4 1.437 111.258 -175.29 -0.6560 26 H1O Ho E 25 22 5 0.970 105.489 -31.79 0.4050 LOOP C3 C2 DONE 2jB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.161 115.934 -131.72 -0.3880 5 C2 Cg B 4 3 2 1.432 133.702 -58.89 0.4130 6 C1 Cg 3 5 4 3 1.565 107.007 -11.65 0.2800 7 H11 H1 E 6 5 4 1.089 110.419 -168.27 0.0000 8 H12 H1 E 6 5 4 1.091 109.821 -50.14 0.0000 9 O1 Oh S 6 5 4 1.444 112.820 71.31 -0.7220 10 H1O Ho E 9 6 5 0.965 107.671 -41.74 0.4320 11 C3 Cg 3 5 4 3 1.569 109.521 -133.16 0.3630 12 H3 H1 E 11 5 4 1.091 109.772 68.90 0.0000 13 C4 Cg 3 11 5 4 1.551 110.614 -170.08 0.1550 14 H4 H1 E 13 11 5 1.090 108.392 -65.40 0.0000 15 C5 Cg 3 13 11 5 1.550 111.966 54.12 0.3740 16 H5 H1 E 15 13 11 1.091 109.534 68.96 0.0000 17 C6 Cg 3 15 13 11 1.547 111.895 -52.01 0.2920 18 H6A H1 E 17 15 13 1.091 110.065 -70.83 0.0000 19 H6E H1 E 17 15 13 1.090 109.985 170.44 0.0000 20 O6 Os E 17 15 13 1.484 111.063 49.63 -0.5510 21 O5 Oh S 15 13 11 1.455 108.361 -172.59 -0.7290 22 H5O Ho E 21 15 13 0.962 111.074 69.64 0.4260 23 O4 Oh S 13 11 5 1.459 109.947 177.92 -0.6840 24 H4O Ho E 23 13 11 0.968 109.165 -169.60 0.4380 25 O3 Oh S 11 5 4 1.461 111.127 -50.93 -0.7250 26 H3O Ho E 25 11 5 0.967 106.570 -171.29 0.4320 LOOP O6 C2 DONE 2jD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.267 115.375 -131.90 -0.3880 5 C2 Cg B 4 3 2 1.437 73.705 143.26 0.1920 6 O5 Os S 5 4 3 1.567 105.400 -104.05 -0.4100 7 C5 Cg 3 6 5 4 1.585 113.292 -102.85 0.1900 8 H5 H1 E 7 6 5 1.091 109.254 118.42 0.0000 9 C6 Cg 3 7 6 5 1.542 109.417 -121.68 0.3400 10 H61 H1 E 9 7 6 1.090 110.186 170.13 0.0000 11 H62 H1 E 9 7 6 1.090 110.250 50.63 0.0000 12 O6 Oh S 9 7 6 1.441 110.517 -70.42 -0.7250 13 H6O Ho E 12 9 7 0.959 110.296 -58.30 0.4250 14 C4 Cg 3 7 6 5 1.625 104.597 1.92 0.2330 15 H4 H1 E 14 7 6 1.090 107.076 101.60 0.0000 16 O4 Oh S 14 7 6 1.458 113.707 -139.62 -0.6710 17 H4O Ho E 16 14 7 0.965 110.086 -134.30 0.4140 18 C3 Cg B 14 7 6 1.642 107.375 -13.44 0.3930 19 H3 H1 E 18 14 7 1.091 111.073 142.12 0.0000 20 O3 Oh S 18 14 7 1.455 107.927 -98.38 -0.7480 21 H3O Ho E 20 18 14 0.969 106.278 -23.03 0.4460 22 C1 Cg 3 5 4 3 1.554 109.050 16.41 0.3890 23 H11 H1 E 22 5 4 1.091 110.219 -56.55 0.0000 24 H12 H1 E 22 5 4 1.091 109.769 62.44 0.0000 25 O1 Oh S 22 5 4 1.438 111.155 -177.27 -0.6540 26 H1O Ho E 25 22 5 0.969 105.999 -50.29 0.3800 LOOP C3 C2 DONE 2jU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.987 115.928 -131.30 -0.3880 5 C2 Cg B 4 3 2 1.442 108.945 -57.79 0.3510 6 C1 Cg 3 5 4 3 1.554 109.500 -7.14 0.3330 7 H11 H1 E 6 5 4 1.090 109.574 -179.89 0.0000 8 H12 H1 E 6 5 4 1.090 110.121 -61.30 0.0000 9 O1 Oh S 6 5 4 1.448 111.622 59.75 -0.6970 10 H1O Ho E 9 6 5 0.961 109.656 173.81 0.4150 11 C3 Cg 3 5 4 3 1.643 111.468 -130.55 0.2230 12 H3 H1 E 11 5 4 1.090 111.499 109.31 0.0000 13 C4 Cg 3 11 5 4 1.639 106.529 -129.94 0.2840 14 H4 H1 E 13 11 5 1.091 107.844 -100.60 0.0000 15 C5 Cg 3 13 11 5 1.619 107.844 15.28 0.1000 16 H5 H1 E 15 13 11 1.089 109.205 -129.69 0.0000 17 C6 Cg 3 15 13 11 1.537 115.282 106.51 0.3490 18 H61 H1 E 17 15 13 1.090 111.054 58.46 0.0000 19 H62 H1 E 17 15 13 1.089 110.316 -62.25 0.0000 20 O6 Oh S 17 15 13 1.435 108.026 178.22 -0.6840 21 H6O Ho E 20 17 15 0.962 107.568 44.32 0.4110 22 O5 Os E 15 13 11 1.585 104.895 -12.75 -0.3890 23 O4 Oh S 13 11 5 1.442 112.118 140.35 -0.6570 24 H4O Ho E 23 13 11 0.969 105.977 -9.00 0.4100 25 O3 Oh S 11 5 4 1.460 110.322 -11.55 -0.6710 26 H3O Ho E 25 11 5 0.971 106.808 11.93 0.4160 LOOP O5 C2 DONE 2kA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730 5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000 6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400 7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010 8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000 9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870 10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000 11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000 12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910 13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220 14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960 15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000 16 O4 Oh S 14 7 6 1.440 109.315 -68.60 -0.7120 17 H4O Ho E 16 14 7 0.960 109.466 -58.47 0.4200 18 C3 Cg M 14 7 6 1.541 113.058 50.90 0.3540 19 H3 H1 E 18 14 7 1.091 110.148 -170.51 0.0000 20 O3 Oh S 18 14 7 1.440 107.217 72.05 -0.7440 21 H3O Ho E 20 18 14 0.960 109.437 179.14 0.4360 22 C2 Cg M 18 14 7 1.544 111.196 -48.50 0.2810 23 H2 H1 E 22 18 14 1.091 106.696 -68.80 0.0000 24 O2 Os M 22 18 14 1.439 110.836 175.80 -0.4830 LOOP C2 C1 DONE 2kB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490 5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000 6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080 7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000 8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530 9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000 10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170 11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000 12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030 13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000 14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590 15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000 16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000 17 O6 Oh S 14 12 10 1.441 110.162 173.71 -0.6700 18 H6O Ho E 17 14 12 0.962 108.273 57.74 0.4160 19 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140 20 O4 Oh S 10 8 6 1.455 108.780 69.68 -0.7000 21 H4O Ho E 20 10 8 0.964 110.377 74.31 0.4250 22 O3 Oh S 8 6 4 1.452 110.271 -66.88 -0.7100 23 H3O Ho E 22 8 6 0.968 107.267 -52.72 0.4420 24 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780 LOOP O5 C1 DONE 2lA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650 5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000 6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270 7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160 8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000 9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080 10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000 11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000 12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840 13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180 14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040 15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000 16 O4 Oh S 14 7 6 1.445 108.372 -65.83 -0.6730 17 H4O Ho E 16 14 7 0.960 109.470 -59.12 0.4360 18 C3 Cg M 14 7 6 1.544 110.422 54.45 0.2530 19 H3 H1 E 18 14 7 1.091 108.559 66.00 0.0000 20 O3 Oh S 18 14 7 1.440 109.147 -176.39 -0.7010 21 H3O Ho E 20 18 14 0.960 109.438 -179.39 0.4330 22 C2 Cg M 18 14 7 1.541 111.714 -54.48 0.3390 23 H2 H1 E 22 18 14 1.091 108.995 -66.63 0.0000 24 O2 Os M 22 18 14 1.440 110.049 175.31 -0.4870 LOOP C2 C1 DONE 2lB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740 5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000 6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570 7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000 8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590 9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000 10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030 11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000 12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400 13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000 14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190 15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000 16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000 17 O6 Oh S 14 12 10 1.437 109.027 173.44 -0.6930 18 H6O Ho E 17 14 12 0.961 107.830 58.33 0.4190 19 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020 20 O4 Oh S 10 8 6 1.449 109.638 65.91 -0.6640 21 H4O Ho E 20 10 8 0.967 107.158 51.40 0.4370 22 O3 Oh S 8 6 4 1.455 110.815 175.60 -0.6940 23 H3O Ho E 22 8 6 0.967 107.449 52.82 0.4330 24 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880 LOOP O5 C1 DONE 2mA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330 5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000 6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070 7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760 8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000 9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660 10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000 11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000 12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880 13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220 14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260 15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000 16 O4 Oh S 14 7 6 1.452 108.824 171.70 -0.7330 17 H4O Ho E 16 14 7 0.966 107.267 -173.46 0.4380 18 C3 Cg M 14 7 6 1.549 110.605 52.31 0.2520 19 H3 H1 E 18 14 7 1.092 108.663 62.49 0.0000 20 O3 Oh S 18 14 7 1.461 110.813 -179.59 -0.6960 21 H3O Ho E 20 18 14 0.964 109.699 -161.58 0.4310 22 C2 Cg M 18 14 7 1.545 111.609 -57.15 0.2450 23 H2 H1 E 22 18 14 1.091 109.207 175.17 0.0000 24 O2 Os M 22 18 14 1.459 109.731 -66.73 -0.4650 LOOP C2 C1 DONE 2mB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140 5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000 6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410 7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000 8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630 9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000 10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490 11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000 12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060 13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000 14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730 15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000 16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000 17 O6 Oh S 14 12 10 1.439 109.850 179.68 -0.6800 18 H6O Ho E 17 14 12 0.962 108.414 55.86 0.4190 19 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930 20 O4 Oh S 10 8 6 1.452 109.624 -176.73 -0.7460 21 H4O Ho E 20 10 8 0.963 108.380 -79.71 0.4430 22 O3 Oh S 8 6 4 1.457 110.746 -174.70 -0.6920 23 H3O Ho E 22 8 6 0.962 109.624 154.41 0.4300 24 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270 LOOP O5 C1 DONE 2nA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780 5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000 6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110 7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040 8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000 9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800 10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000 11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000 12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630 13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960 14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670 15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000 16 O4 Oh S 14 7 6 1.439 109.651 175.64 -0.7330 17 H4O Ho E 16 14 7 0.960 109.442 -61.75 0.4440 18 C3 Cg M 14 7 6 1.543 113.659 53.11 0.3300 19 H3 H1 E 18 14 7 1.091 110.022 -173.93 0.0000 20 O3 Oh S 18 14 7 1.445 109.798 66.31 -0.7140 21 H3O Ho E 20 18 14 0.960 109.446 64.20 0.4410 22 C2 Cg M 18 14 7 1.541 108.602 -53.52 0.2280 23 H2 H1 E 22 18 14 1.091 106.837 -65.32 0.0000 24 O2 Os M 22 18 14 1.439 110.703 179.06 -0.4470 LOOP C2 C1 DONE 2nB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220 5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000 6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010 7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000 8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340 9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000 10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860 11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000 12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980 13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000 14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130 15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000 16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000 17 O6 Oh S 14 12 10 1.438 109.178 -178.76 -0.6890 18 H6O Ho E 17 14 12 0.962 107.694 47.58 0.4180 19 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070 20 O4 Oh S 10 8 6 1.447 109.608 179.74 -0.7070 21 H4O Ho E 20 10 8 0.966 108.053 38.89 0.4300 22 O3 Oh S 8 6 4 1.458 109.599 -65.98 -0.6150 23 H3O Ho E 22 8 6 0.967 107.516 -48.26 0.3890 24 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730 LOOP O5 C1 DONE 2oA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050 5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000 6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240 7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540 8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000 9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960 10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220 11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220 12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670 13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000 14 O4 Oh S 12 7 6 1.455 107.562 -64.91 -0.7040 15 H4O Ho E 14 12 7 0.981 106.629 -34.53 0.4290 16 C3 Cg M 12 7 6 1.551 109.735 56.67 0.2510 17 H3 H1 E 16 12 7 1.092 108.010 56.95 0.0000 18 O3 Oh S 16 12 7 1.460 111.816 174.01 -0.7250 19 H3O Ho E 18 16 12 0.964 107.278 157.34 0.4160 20 C2 Cg M 16 12 7 1.548 110.284 -61.11 0.4130 21 H2 H1 E 20 16 12 1.091 109.347 -64.48 0.0000 22 O2 Os M 20 16 12 1.464 110.220 176.88 -0.5340 LOOP C2 C1 DONE 2oB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010 5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000 6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830 7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000 8 C3 Cg 3 6 4 3 1.553 110.962 144.51 0.2590 9 H3 H1 E 8 6 4 1.092 108.228 -67.30 0.0000 10 C4 Cg 3 8 6 4 1.548 111.733 51.56 0.2600 11 H4 H1 E 10 8 6 1.091 108.447 -176.52 0.0000 12 C5 Cg 3 10 8 6 1.538 110.856 -55.81 0.0490 13 H5 H1 E 12 10 8 1.092 107.135 -59.52 0.0000 14 C6 C B 12 10 8 1.574 110.283 -172.73 0.8380 15 O6A O2 E 14 12 10 1.254 118.706 -136.36 -0.7940 16 O6B O2 E 14 12 10 1.256 116.247 49.13 -0.7940 17 O5 Os E 12 10 8 1.506 109.239 55.41 -0.4140 18 O4 Oh S 10 8 6 1.450 109.430 65.27 -0.6610 19 H4O Ho E 18 10 8 0.961 107.547 51.96 0.4020 20 O3 Oh S 8 6 4 1.466 112.472 174.09 -0.7080 21 H3O Ho E 20 8 6 0.961 109.065 156.60 0.4040 22 O2 Os M 6 4 3 1.460 107.566 23.78 -0.5250 LOOP O5 C1 DONE 2pA INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 37.824 123.397 -139.13 -0.3880 5 C2 Cg B 4 3 2 1.441 100.262 169.48 0.4170 6 O6 Os S 5 4 3 1.488 110.368 -132.69 -0.5980 7 C6 Cg 3 6 5 4 1.482 118.332 -69.31 0.3930 8 H6A H1 E 7 6 5 1.091 109.250 66.45 0.0000 9 H6E H1 E 7 6 5 1.090 109.091 -175.40 0.0000 10 C5 Cg 3 7 6 5 1.536 109.077 -54.75 0.1530 11 H5 H1 E 10 7 6 1.091 108.321 -65.28 0.0000 12 O5 Oh S 10 7 6 1.437 108.893 177.77 -0.6930 13 H5O Ho E 12 10 7 0.960 109.495 178.45 0.4280 14 C4 Cg 3 10 7 6 1.541 113.177 55.00 0.3940 15 H4 H1 E 14 10 7 1.091 110.012 -174.96 0.0000 16 O4 Oh S 14 10 7 1.445 109.714 65.32 -0.7020 17 H4O Ho E 16 14 10 0.960 109.435 -179.19 0.4320 18 C3 Cg B 14 10 7 1.543 108.511 -54.52 0.1500 19 H3 H1 E 18 14 10 1.091 106.088 -66.29 0.0000 20 O3 Oh S 18 14 10 1.441 110.125 178.95 -0.6650 21 H3O Ho E 20 18 14 0.960 109.411 -65.90 0.4090 22 C1 Cg 3 5 4 3 1.541 105.285 -16.67 0.3270 23 H11 H1 E 22 5 4 1.091 110.426 -58.16 0.0000 24 H12 H1 E 22 5 4 1.091 110.581 61.43 0.0000 25 O1 Oh S 22 5 4 1.436 110.176 -178.22 -0.6440 26 H1O Ho E 25 22 5 0.960 109.427 -60.11 0.3930 LOOP C3 C2 DONE 2pB INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 32.440 116.269 -131.57 -0.3880 5 C2 Cg B 4 3 2 1.428 124.453 -54.93 0.4070 6 C1 Cg 3 5 4 3 1.572 108.289 -11.70 0.3790 7 H11 H1 E 6 5 4 1.088 110.382 -177.73 0.0000 8 H12 H1 E 6 5 4 1.091 110.003 -59.17 0.0000 9 O1 Oh S 6 5 4 1.452 112.720 61.98 -0.7200 10 H1O Ho E 9 6 5 0.961 109.403 178.93 0.4100 11 C3 Cg 3 5 4 3 1.562 106.714 -136.24 0.1800 12 H3 H1 E 11 5 4 1.092 107.885 -44.43 0.0000 13 C4 Cg 3 11 5 4 1.548 113.222 -161.55 0.3280 14 H4 H1 E 13 11 5 1.091 109.035 170.62 0.0000 15 C5 Cg 3 13 11 5 1.546 111.648 50.00 0.1880 16 H5 H1 E 15 13 11 1.091 108.531 65.60 0.0000 17 C6 Cg 3 15 13 11 1.540 111.137 -53.12 0.3640 18 H6A H1 E 17 15 13 1.091 110.957 -65.43 0.0000 19 H6E H1 E 17 15 13 1.090 110.095 174.89 0.0000 20 O6 Os E 17 15 13 1.483 108.996 55.37 -0.5400 21 O5 Oh S 15 13 11 1.454 110.567 -176.42 -0.7050 22 H5O Ho E 21 15 13 0.967 108.400 37.89 0.4330 23 O4 Oh S 13 11 5 1.453 109.303 -71.38 -0.6980 24 H4O Ho E 23 13 11 0.967 106.113 -55.83 0.4270 25 O3 Oh S 11 5 4 1.462 112.137 73.04 -0.6810 26 H3O Ho E 25 11 5 0.967 108.335 -65.45 0.4220 LOOP O6 C2 DONE 2pD INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 38.059 123.158 -139.34 -0.3880 5 C2 Cg B 4 3 2 1.437 59.843 174.87 0.3240 6 O5 Os S 5 4 3 1.578 109.031 -122.78 -0.4530 7 C5 Cg 3 6 5 4 1.580 112.574 -104.97 0.1940 8 H5 H1 E 7 6 5 1.092 109.225 119.03 0.0000 9 C6 Cg 3 7 6 5 1.529 108.517 -121.64 0.2910 10 H61 H1 E 9 7 6 1.090 110.281 176.00 0.0000 11 H62 H1 E 9 7 6 1.091 110.695 55.73 0.0000 12 O6 Oh S 9 7 6 1.433 108.604 -64.48 -0.6950 13 H6O Ho E 12 9 7 0.960 109.454 -59.02 0.4110 14 C4 Cg 3 7 6 5 1.626 105.532 -0.49 0.2820 15 H4 H1 E 14 7 6 1.091 112.773 -134.13 0.0000 16 O4 Oh S 14 7 6 1.437 105.885 105.93 -0.6830 17 H4O Ho E 16 14 7 0.960 109.464 -177.78 0.4210 18 C3 Cg B 14 7 6 1.629 106.867 -10.85 0.3340 19 H3 H1 E 18 14 7 1.090 106.567 -97.07 0.0000 20 O3 Oh S 18 14 7 1.441 113.670 145.25 -0.6610 21 H3O Ho E 20 18 14 0.960 109.502 57.68 0.4150 22 C1 Cg 3 5 4 3 1.533 107.382 -3.35 0.2860 23 H11 H1 E 22 5 4 1.091 110.553 -56.03 0.0000 24 H12 H1 E 22 5 4 1.091 110.436 64.00 0.0000 25 O1 Oh S 22 5 4 1.434 109.386 -175.92 -0.6910 26 H1O Ho E 25 22 5 0.960 109.478 -179.30 0.4190 LOOP C3 C2 DONE 2pU INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 O2 Os M 3 2 1 38.386 123.789 -139.28 -0.3880 5 C2 Cg B 4 3 2 1.437 114.612 -29.82 0.2880 6 C1 Cg 3 5 4 3 1.541 107.880 23.64 0.3650 7 H11 H1 E 6 5 4 1.090 109.918 -173.46 0.0000 8 H12 H1 E 6 5 4 1.091 110.660 -54.05 0.0000 9 O1 Oh S 6 5 4 1.437 110.203 66.84 -0.6870 10 H1O Ho E 9 6 5 0.960 109.513 -179.45 0.4180 11 C3 Cg 3 5 4 3 1.631 106.460 -102.87 0.3340 12 H3 H1 E 11 5 4 1.091 109.543 -7.30 0.0000 13 C4 Cg 3 11 5 4 1.631 107.756 -123.45 0.1920 14 H4 H1 E 13 11 5 1.091 111.099 133.10 0.0000 15 C5 Cg 3 13 11 5 1.623 107.338 10.25 0.3690 16 H5 H1 E 15 13 11 1.092 111.285 -129.81 0.0000 17 C6 Cg 3 15 13 11 1.529 112.798 106.76 0.2150 18 H61 H1 E 17 15 13 1.090 110.301 60.35 0.0000 19 H62 H1 E 17 15 13 1.091 110.659 -59.91 0.0000 20 O6 Oh S 17 15 13 1.433 108.649 179.93 -0.6780 21 H6O Ho E 20 17 15 0.960 109.500 -58.51 0.4210 22 O5 Os E 15 13 11 1.576 105.494 -11.41 -0.4800 23 O4 Oh S 13 11 5 1.438 110.850 -105.23 -0.7110 24 H4O Ho E 23 13 11 0.960 109.445 -179.82 0.4380 25 O3 Oh S 11 5 4 1.441 112.255 111.74 -0.7140 26 H3O Ho E 25 11 5 0.960 109.493 177.90 0.4240 LOOP O5 C2 DONE 2qA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650 5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000 6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590 7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340 8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000 9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600 10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000 11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000 12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000 13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080 14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000 15 O4 Oh S 13 7 6 1.456 108.902 171.97 -0.6640 16 H4O Ho E 15 13 7 0.963 110.329 76.40 0.4030 17 C3 Cg M 13 7 6 1.550 111.848 51.22 0.3120 18 H3 H1 E 17 13 7 1.092 109.484 68.56 0.0000 19 O3 Oh S 17 13 7 1.451 107.191 -173.73 -0.6970 20 H3O Ho E 19 17 13 0.963 107.525 -56.57 0.4240 21 C2 Cg M 17 13 7 1.550 112.115 -52.85 0.2810 22 H2 H1 E 21 17 13 1.091 108.369 -65.92 0.0000 23 O2 Os M 21 17 13 1.464 112.236 175.32 -0.4670 LOOP C2 C1 DONE 2qB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910 5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000 6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230 7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000 8 C3 Cg 3 6 4 3 1.546 109.870 145.94 0.3000 9 H3 H1 E 8 6 4 1.092 108.841 -69.08 0.0000 10 C4 Cg 3 8 6 4 1.549 112.577 51.86 0.2500 11 H4 H1 E 10 8 6 1.092 109.316 68.82 0.0000 12 C5 Cg 3 10 8 6 1.548 111.410 -52.00 0.2710 13 H5 H1 E 12 10 8 1.092 109.263 -66.11 0.0000 14 C6 Cg 3 12 10 8 1.530 114.065 172.27 0.0480 15 H61 Hc E 14 12 10 1.091 111.262 -178.50 0.0000 16 H62 Hc E 14 12 10 1.091 111.509 62.03 0.0000 17 H63 Hc E 14 12 10 1.091 111.710 -58.34 0.0000 18 O5 Os E 12 10 8 1.486 109.336 52.29 -0.5350 19 O4 Oh S 10 8 6 1.451 109.144 -172.28 -0.7130 20 H4O Ho E 19 10 8 0.966 107.748 -53.29 0.4210 21 O3 Oh S 8 6 4 1.454 109.133 172.74 -0.6890 22 H3O Ho E 21 8 6 0.966 107.391 52.07 0.4200 23 O2 Os M 6 4 3 1.460 110.327 25.57 -0.4870 LOOP O5 C1 DONE 2rA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880 5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000 6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610 7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770 8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000 9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000 10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220 11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000 12 O4 Oh S 10 7 6 1.437 108.837 177.17 -0.6630 13 H4O Ho E 12 10 7 0.960 109.433 -61.56 0.4190 14 C3 Cg M 10 7 6 1.542 113.340 54.31 0.3450 15 H3 H1 E 14 10 7 1.091 110.108 -174.25 0.0000 16 O3 Oh S 14 10 7 1.445 109.754 65.90 -0.7370 17 H3O Ho E 16 14 10 0.960 109.441 63.11 0.4430 18 C2 Cg M 14 10 7 1.542 108.334 -53.79 0.2530 19 H2 H1 E 18 14 10 1.091 106.798 -65.63 0.0000 20 O2 Os M 18 14 10 1.439 110.674 178.86 -0.4860 LOOP C2 C1 DONE 2rB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810 5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000 6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850 7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000 8 C3 Cg 3 6 4 3 1.550 109.259 132.95 0.2030 9 H3 H1 E 8 6 4 1.091 109.709 178.53 0.0000 10 C4 Cg 3 8 6 4 1.548 108.635 58.66 0.2360 11 H4 H1 E 10 8 6 1.091 108.914 60.36 0.0000 12 C5 Cg 3 10 8 6 1.549 110.878 -58.91 0.3350 13 H5A H1 E 12 10 8 1.091 110.751 -65.58 0.0000 14 H5E H1 E 12 10 8 1.090 110.011 175.14 0.0000 15 O5 Os E 12 10 8 1.488 109.926 55.20 -0.5760 16 O4 Oh S 10 8 6 1.453 110.299 178.35 -0.6950 17 H4O Ho E 16 10 8 0.963 110.348 -71.99 0.4110 18 O3 Oh S 8 6 4 1.460 111.251 -60.93 -0.6960 19 H3O Ho E 18 8 6 0.965 108.989 176.00 0.4280 20 O2 Os M 6 4 3 1.459 113.253 8.58 -0.5120 LOOP O5 C1 DONE 2rD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450 5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000 6 O4 Os M 4 3 2 1.561 97.975 72.12 -0.5130 7 C4 Cg M 6 4 3 1.590 113.384 153.92 0.3270 8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000 9 C5 Cg 3 7 6 4 1.540 110.745 -124.36 0.1950 10 H51 H1 E 9 7 6 1.090 109.790 172.36 0.0000 11 H52 H1 E 9 7 6 1.090 109.854 53.62 0.0000 12 O5 Oh S 9 7 6 1.441 111.480 -67.27 -0.6670 13 H5O Ho E 12 9 7 0.961 110.927 -63.80 0.4080 14 C3 Cg M 7 6 4 1.627 104.801 -3.59 0.2750 15 H3 H1 E 14 7 6 1.090 111.845 -130.65 0.0000 16 O3 Oh S 14 7 6 1.452 108.122 109.49 -0.7390 17 H3O Ho E 16 14 7 0.969 108.678 -102.78 0.4380 18 C2 Cg M 14 7 6 1.641 107.074 -9.06 0.3180 19 H2 H1 E 18 14 7 1.090 106.590 -95.30 0.0000 20 O2 Os M 18 14 7 1.461 113.571 147.17 -0.4870 LOOP C2 C1 DONE 2rU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780 5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000 6 C2 Cg M 4 3 2 1.633 131.021 -175.92 0.2930 7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000 8 C3 Cg 3 6 4 3 1.643 106.357 -122.88 0.2890 9 H3 H1 E 8 6 4 1.091 108.114 103.55 0.0000 10 C4 Cg 3 8 6 4 1.616 107.735 -14.49 0.1020 11 H4 H1 E 10 8 6 1.091 109.546 -104.49 0.0000 12 C5 Cg 3 10 8 6 1.534 112.497 133.15 0.3380 13 H51 H1 E 12 10 8 1.090 110.394 -65.27 0.0000 14 H52 H1 E 12 10 8 1.090 110.006 54.34 0.0000 15 O5 Oh S 12 10 8 1.436 109.887 174.05 -0.6920 16 H5O Ho E 15 12 10 0.959 109.586 -178.63 0.4150 17 O4 Os E 10 8 6 1.587 104.949 11.40 -0.4240 18 O3 Oh S 8 6 4 1.443 112.608 -136.62 -0.6830 19 H3O Ho E 18 8 6 0.968 106.484 22.47 0.4280 20 O2 Os M 6 4 3 1.462 109.045 117.82 -0.4440 LOOP O4 C1 DONE 2tA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560 5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000 6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800 7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570 8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000 9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040 10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000 11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000 12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690 13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010 14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340 15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000 16 O4 Oh S 14 7 6 1.443 109.067 -67.36 -0.7310 17 H4O Ho E 16 14 7 0.960 109.459 -59.56 0.4170 18 C3 Cg M 14 7 6 1.543 109.739 53.52 0.1240 19 H3 H1 E 18 14 7 1.091 106.734 65.74 0.0000 20 O3 Oh S 18 14 7 1.439 110.707 -178.75 -0.6870 21 H3O Ho E 20 18 14 0.960 109.479 -176.63 0.4420 22 C2 Cg M 18 14 7 1.545 114.910 -52.34 0.2450 23 H2 H1 E 22 18 14 1.091 109.723 171.12 0.0000 24 O2 Os M 22 18 14 1.440 110.347 -69.94 -0.4130 LOOP C2 C1 DONE 2tB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060 5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000 6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400 7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000 8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740 9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000 10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140 11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000 12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310 13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000 14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490 15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000 16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000 17 O6 Oh S 14 12 10 1.434 108.837 172.73 -0.6660 18 H6O Ho E 17 14 12 0.960 109.430 59.34 0.4060 19 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540 20 O4 Oh S 10 8 6 1.443 110.169 69.26 -0.6260 21 H4O Ho E 20 10 8 0.960 109.455 179.72 0.4130 22 O3 Oh S 8 6 4 1.439 110.677 177.92 -0.6780 23 H3O Ho E 22 8 6 0.960 109.373 -64.24 0.4250 24 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340 LOOP O5 C1 DONE 2tV INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.351 114.839 -132.95 0.4700 5 H1 H1 E 4 3 2 1.090 124.986 34.06 0.0000 6 O5 Os M 4 3 2 1.470 71.584 -66.23 -0.5160 7 C5 Cg M 6 4 3 1.490 117.436 -68.78 0.3010 8 H5 H1 E 7 6 4 1.092 108.176 67.65 0.0000 9 C6 Cg 3 7 6 4 1.530 106.823 -175.86 0.0070 10 H61 Hc E 9 7 6 1.091 111.306 -56.97 0.0000 11 H62 Hc E 9 7 6 1.091 111.681 63.21 0.0000 12 H63 Hc E 9 7 6 1.091 111.485 -176.46 0.0000 13 C4 Cg M 7 6 4 1.553 110.400 -51.43 0.3020 14 H4 H1 E 13 7 6 1.091 109.486 -67.87 0.0000 15 O4 Oh S 13 7 6 1.446 110.075 172.75 -0.7390 16 H4O Ho E 15 13 7 0.961 109.446 177.45 0.4390 17 C3 Cg M 13 7 6 1.535 112.112 53.80 -0.0140 18 H31 Hc E 17 13 7 1.093 110.620 -177.58 0.0000 19 H32 Hc E 17 13 7 1.093 110.093 66.30 0.0000 20 C2 Cg M 17 13 7 1.535 111.168 -54.29 0.1910 21 H2 H1 E 20 17 13 1.091 108.971 171.23 0.0000 22 O2 Os M 20 17 13 1.451 107.118 -72.88 -0.4410 LOOP C2 C1 DONE 2tv INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 42.063 124.523 -153.51 0.4280 5 H1 H1 E 4 3 2 1.091 137.718 140.13 0.0000 6 C2 Cg M 4 3 2 1.543 92.512 17.53 0.2080 7 H2 H1 E 6 4 3 1.091 110.018 85.50 0.0000 8 C3 Cg 3 6 4 3 1.538 110.852 -153.13 0.0070 9 H31 Hc E 8 6 4 1.092 110.440 174.77 0.0000 10 H32 Hc E 8 6 4 1.093 108.417 -70.21 0.0000 11 C4 Cg 3 8 6 4 1.542 111.976 51.41 0.2960 12 H4 H1 E 11 8 6 1.091 109.168 71.88 0.0000 13 C5 Cg 3 11 8 6 1.544 113.120 -50.24 0.2710 14 H5 H1 E 13 11 8 1.092 109.438 -67.05 0.0000 15 C6 Cg 3 13 11 8 1.530 114.414 170.77 0.0170 16 H61 Hc E 15 13 11 1.091 111.431 62.00 0.0000 17 H62 Hc E 15 13 11 1.091 111.279 -178.53 0.0000 18 H63 Hc E 15 13 11 1.091 111.734 -58.32 0.0000 19 O5 Os E 13 11 8 1.481 108.725 51.10 -0.4960 20 O4 Oh S 11 8 6 1.436 107.645 -170.11 -0.7290 21 H4O Ho E 20 11 8 0.960 109.450 -178.68 0.4250 22 O2 Os M 6 4 3 1.442 110.000 -34.21 -0.4270 LOOP O5 C1 DONE 2uA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630 5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000 6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150 7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320 8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000 9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970 10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570 11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570 12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230 13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000 14 O4 Oh S 12 7 6 1.461 110.851 178.69 -0.7110 15 H4O Ho E 14 12 7 0.984 107.477 28.92 0.3970 16 C3 Cg M 12 7 6 1.551 110.331 -57.99 0.4170 17 H3 H1 E 16 12 7 1.092 108.572 -66.35 0.0000 18 O3 Oh S 16 12 7 1.454 107.203 176.93 -0.7710 19 H3O Ho E 18 16 12 0.966 105.279 42.17 0.4170 20 C2 Cg M 16 12 7 1.555 113.490 54.77 0.2590 21 H2 H1 E 20 16 12 1.092 108.782 71.56 0.0000 22 O2 Os M 20 16 12 1.469 110.384 -169.42 -0.4940 LOOP C2 C1 DONE 2uB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780 5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000 6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890 7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000 8 C3 Cg 3 6 4 3 1.545 111.752 -104.72 0.2860 9 H3 H1 E 8 6 4 1.091 110.248 64.55 0.0000 10 C4 Cg 3 8 6 4 1.552 109.635 -56.61 0.3080 11 H4 H1 E 10 8 6 1.092 107.907 -61.83 0.0000 12 C5 Cg 3 10 8 6 1.546 112.015 56.37 0.1940 13 H5 H1 E 12 10 8 1.091 107.278 -167.70 0.0000 14 C6 C B 12 10 8 1.581 111.637 77.65 0.7500 15 O6A O2 E 14 12 10 1.252 117.516 -129.70 -0.7830 16 O6B O2 E 14 12 10 1.255 117.682 48.62 -0.7830 17 O5 Os E 12 10 8 1.512 108.685 -52.87 -0.4300 18 O4 Oh S 10 8 6 1.456 110.245 -178.60 -0.7450 19 H4O Ho E 18 10 8 0.987 106.847 -97.51 0.4220 20 O3 Oh S 8 6 4 1.460 109.228 -175.94 -0.7550 21 H3O Ho E 20 8 6 0.968 105.498 164.14 0.4210 22 O2 Os M 6 4 3 1.455 112.599 20.48 -0.4520 LOOP O5 C1 DONE 2xA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820 5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000 6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880 7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350 8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000 9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000 10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470 11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000 12 O4 Oh S 10 7 6 1.453 108.593 173.08 -0.7200 13 H4O Ho E 12 10 7 0.967 107.931 -176.07 0.4200 14 C3 Cg M 10 7 6 1.547 110.634 51.97 0.3590 15 H3 H1 E 14 10 7 1.092 109.703 67.85 0.0000 16 O3 Oh S 14 10 7 1.451 108.617 -173.43 -0.7120 17 H3O Ho E 16 14 10 0.966 107.240 165.38 0.4210 18 C2 Cg M 14 10 7 1.543 112.192 -53.97 0.1970 19 H2 H1 E 18 14 10 1.091 108.478 -65.50 0.0000 20 O2 Os M 18 14 10 1.464 110.541 176.58 -0.4410 LOOP C2 C1 DONE 2xB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480 5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000 6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250 7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000 8 C3 Cg 3 6 4 3 1.547 111.138 145.56 0.2280 9 H3 H1 E 8 6 4 1.092 109.005 -68.97 0.0000 10 C4 Cg 3 8 6 4 1.546 111.370 51.34 0.2860 11 H4 H1 E 10 8 6 1.091 109.653 67.94 0.0000 12 C5 Cg 3 10 8 6 1.541 111.571 -53.00 0.3030 13 H5A H1 E 12 10 8 1.092 110.518 -66.11 0.0000 14 H5E H1 E 12 10 8 1.090 110.176 174.39 0.0000 15 O5 Os E 12 10 8 1.482 109.795 54.26 -0.4470 16 O4 Oh S 10 8 6 1.447 109.213 -172.90 -0.7230 17 H4O Ho E 16 10 8 0.966 107.383 -51.48 0.4300 18 O3 Oh S 8 6 4 1.458 109.994 172.23 -0.6820 19 H3O Ho E 18 8 6 0.967 108.169 55.63 0.4270 20 O2 Os M 6 4 3 1.452 109.095 25.68 -0.4950 LOOP O5 C1 DONE 2xD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280 5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000 6 O4 Os M 4 3 2 1.561 69.372 -71.25 -0.5070 7 C4 Cg M 6 4 3 1.593 113.153 -99.38 0.2370 8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000 9 C5 Cg 3 7 6 4 1.543 109.223 -125.39 0.2800 10 H51 H1 E 9 7 6 1.090 111.083 166.42 0.0000 11 H52 H1 E 9 7 6 1.090 109.111 -74.77 0.0000 12 O5 Oh S 9 7 6 1.441 110.629 44.19 -0.6780 13 H5O Ho E 12 9 7 0.962 107.911 -53.44 0.4220 14 C3 Cg M 7 6 4 1.626 104.822 0.57 0.3020 15 H3 H1 E 14 7 6 1.091 107.635 106.72 0.0000 16 O3 Oh S 14 7 6 1.447 113.750 -133.56 -0.7140 17 H3O Ho E 16 14 7 0.963 109.068 176.23 0.4260 18 C2 Cg M 14 7 6 1.634 107.473 -10.20 0.2480 19 H2 H1 E 18 14 7 1.091 108.718 -100.07 0.0000 20 O2 Os M 18 14 7 1.455 111.279 140.82 -0.4440 LOOP C2 C1 DONE 2xU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880 5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000 6 C2 Cg M 4 3 2 1.632 131.215 -128.66 0.3820 7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000 8 C3 Cg 3 6 4 3 1.636 107.260 145.70 0.2240 9 H3 H1 E 8 6 4 1.091 109.533 -107.12 0.0000 10 C4 Cg 3 8 6 4 1.626 107.660 10.02 0.1420 11 H4 H1 E 10 8 6 1.091 108.631 -124.08 0.0000 12 C5 Cg 3 10 8 6 1.541 115.732 113.08 0.2850 13 H51 H1 E 12 10 8 1.090 109.960 60.60 0.0000 14 H52 H1 E 12 10 8 1.091 110.415 -59.03 0.0000 15 O5 Oh S 12 10 8 1.439 110.113 -179.62 -0.6350 16 H5O Ho E 15 12 10 0.959 109.575 -48.10 0.3960 17 O4 Os E 10 8 6 1.585 104.984 -8.09 -0.4270 18 O3 Oh S 8 6 4 1.450 111.002 133.42 -0.6620 19 H3O Ho E 18 8 6 0.964 109.399 70.42 0.4120 20 O2 Os M 6 4 3 1.454 112.254 24.53 -0.5050 LOOP O4 C1 DONE 2zA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980 5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000 6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440 7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870 8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000 9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980 10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870 11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870 12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930 13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000 14 O4 Oh S 12 7 6 1.452 107.400 168.29 -0.6820 15 H4O Ho E 14 12 7 0.983 105.869 47.72 0.4220 16 C3 Cg M 12 7 6 1.555 113.190 47.11 0.3000 17 H3 H1 E 16 12 7 1.092 108.970 72.43 0.0000 18 O3 Oh S 16 12 7 1.458 110.360 -168.45 -0.7430 19 H3O Ho E 18 16 12 0.962 107.044 172.72 0.4390 20 C2 Cg M 16 12 7 1.547 112.948 -48.46 0.3260 21 H2 H1 E 20 16 12 1.091 108.371 -69.20 0.0000 22 O2 Os M 20 16 12 1.467 110.467 172.90 -0.5200 LOOP C2 C1 DONE 2zB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510 5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000 6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110 7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000 8 C3 Cg 3 6 4 3 1.551 111.345 142.85 0.2660 9 H3 H1 E 8 6 4 1.092 108.729 -71.83 0.0000 10 C4 Cg 3 8 6 4 1.552 112.291 48.56 0.2670 11 H4 H1 E 10 8 6 1.092 109.244 70.35 0.0000 12 C5 Cg 3 10 8 6 1.542 113.280 -50.40 0.0750 13 H5 H1 E 12 10 8 1.092 107.974 -63.51 0.0000 14 C6 C B 12 10 8 1.584 111.106 -178.60 0.8930 15 O6A O2 E 14 12 10 1.252 118.262 -140.20 -0.8180 16 O6B O2 E 14 12 10 1.258 117.333 41.17 -0.8180 17 O5 Os E 12 10 8 1.502 108.303 51.87 -0.4130 18 O4 Oh S 10 8 6 1.449 108.610 -171.54 -0.7330 19 H4O Ho E 18 10 8 0.987 105.292 166.54 0.4290 20 O3 Oh S 8 6 4 1.459 111.009 168.82 -0.7010 21 H3O Ho E 20 8 6 0.966 105.666 -171.43 0.4030 22 O2 Os M 6 4 3 1.458 107.250 21.17 -0.5120 LOOP O5 C1 DONE 3AA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480 5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000 6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680 7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000 8 O2 Oh S 6 4 3 1.437 106.880 64.80 -0.7350 9 H2O Ho E 8 6 4 0.960 109.480 -177.98 0.4430 10 C3 Cg M 6 4 3 1.543 115.075 -176.20 0.3350 11 H3 H1 E 10 6 4 1.091 110.217 -167.01 0.0000 12 C4 Cg 3 10 6 4 1.543 111.532 -44.66 0.2450 13 H4 H1 E 12 10 6 1.091 108.482 -68.58 0.0000 14 C5 Cg 3 12 10 6 1.532 112.944 51.47 0.3790 15 H5E H1 E 14 12 10 1.090 110.447 -175.26 0.0000 16 H5A H1 E 14 12 10 1.091 110.923 64.60 0.0000 17 O5 Os E 14 12 10 1.479 108.551 -55.64 -0.5640 18 O4 Oh S 12 10 6 1.437 110.197 173.67 -0.7480 19 H4O Ho E 18 12 10 0.960 109.412 -61.02 0.4340 20 O3 Os M 10 6 4 1.441 106.949 75.66 -0.5050 LOOP O5 C1 DONE 3AB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790 5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000 6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290 7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560 8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000 9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000 10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240 11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000 12 O4 Oh S 10 7 6 1.458 110.447 -177.16 -0.7300 13 H4O Ho E 12 10 7 0.964 110.010 -151.69 0.4400 14 C3 Cg M 10 7 6 1.551 111.087 -54.27 0.2970 15 H3 H1 E 14 10 7 1.091 109.244 175.99 0.0000 16 C2 Cg B 14 10 7 1.543 111.469 54.81 0.3000 17 H2 H1 E 16 14 10 1.091 109.979 -173.48 0.0000 18 O2 Oh S 16 14 10 1.460 108.027 68.57 -0.7000 19 H2O Ho E 18 16 14 0.965 107.206 -167.33 0.4180 20 O3 Os M 14 10 7 1.454 109.593 -65.87 -0.4550 LOOP C2 C1 DONE 3AD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680 5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000 6 C2 Cg M 4 3 2 1.632 104.217 14.88 0.2780 7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000 8 O2 Oh S 6 4 3 1.459 111.670 174.46 -0.6880 9 H2O Ho E 8 6 4 0.962 111.196 52.33 0.4300 10 C3 Cg M 6 4 3 1.638 107.428 -64.48 0.3700 11 H3 H1 E 10 6 4 1.091 109.719 -115.23 0.0000 12 C4 Cg 3 10 6 4 1.617 107.830 4.89 0.1470 13 H4 H1 E 12 10 6 1.091 109.995 109.41 0.0000 14 C5 Cg 3 12 10 6 1.531 113.111 -128.33 0.3380 15 H52 H1 E 14 12 10 1.090 110.286 -56.49 0.0000 16 H51 H1 E 14 12 10 1.090 110.161 -176.14 0.0000 17 O5 Oh S 14 12 10 1.438 109.271 63.95 -0.6960 18 H5O Ho E 17 14 12 0.963 107.879 70.16 0.3990 19 O4 Os E 12 10 6 1.585 105.385 -6.88 -0.4530 20 O3 Os M 10 6 4 1.445 110.901 124.99 -0.4930 LOOP O4 C1 DONE 3AU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770 5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000 6 O4 Os M 4 3 2 1.559 125.393 147.34 -0.5320 7 C4 Cg M 6 4 3 1.592 113.400 -118.27 0.3270 8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000 9 C5 Cg 3 7 6 4 1.536 109.955 123.86 0.2270 10 H52 H1 E 9 7 6 1.090 110.003 -58.66 0.0000 11 H51 H1 E 9 7 6 1.090 110.273 -178.18 0.0000 12 O5 Oh S 9 7 6 1.440 109.976 61.40 -0.6500 13 H5O Ho E 12 9 7 0.963 109.100 -48.75 0.3970 14 C3 Cg M 7 6 4 1.623 104.988 1.35 0.2150 15 H3 H1 E 14 7 6 1.091 109.455 110.64 0.0000 16 C2 Cg B 14 7 6 1.636 107.636 -8.35 0.3280 17 H2 H1 E 16 14 7 1.091 108.941 -103.94 0.0000 18 O2 Oh S 16 14 7 1.456 110.454 137.54 -0.7210 19 H2O Ho E 18 16 14 0.967 108.079 -107.31 0.4170 20 O3 Os M 14 7 6 1.449 110.805 -129.50 -0.4850 LOOP C2 C1 DONE 3BA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300 5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280 6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000 7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000 8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780 9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990 10 C3 Cg M 4 3 2 1.559 106.735 7.30 0.3720 11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000 12 C4 Cg 3 10 4 3 1.548 110.877 -143.81 0.3350 13 H4 H1 E 12 10 4 1.092 109.910 62.48 0.0000 14 C5 Cg 3 12 10 4 1.550 109.394 -58.65 0.2240 15 H5 H1 E 14 12 10 1.091 109.416 -64.57 0.0000 16 C6 Cg 3 14 12 10 1.544 111.673 55.39 0.3410 17 H6E H1 E 16 14 12 1.090 110.000 -171.23 0.0000 18 H6A H1 E 16 14 12 1.091 110.069 70.07 0.0000 19 O6 Os E 16 14 12 1.491 111.103 -50.56 -0.5070 20 O5 Oh S 14 12 10 1.455 110.457 176.19 -0.6900 21 H5O Ho E 20 14 12 0.963 109.307 77.89 0.4290 22 O4 Oh S 12 10 4 1.461 109.578 -178.37 -0.7240 23 H4O Ho E 22 12 10 0.964 108.580 -150.69 0.4210 24 O3 Os M 10 4 3 1.456 111.120 -18.72 -0.4800 LOOP O6 C2 DONE 3BB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270 5 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810 6 H12 H1 E 5 4 3 1.091 110.325 40.86 0.0000 7 H11 H1 E 5 4 3 1.090 110.121 159.57 0.0000 8 O1 Oh S 5 4 3 1.444 111.743 -80.01 -0.6260 9 H1O Ho E 8 5 4 0.960 109.452 179.75 0.3950 10 O6 Os M 4 3 2 1.482 134.628 169.57 -0.4770 11 C6 Cg M 10 4 3 1.485 116.916 144.77 0.3110 12 H6E H1 E 11 10 4 1.090 109.104 176.90 0.0000 13 H6A H1 E 11 10 4 1.091 109.162 -65.19 0.0000 14 C5 Cg M 11 10 4 1.543 109.751 56.11 0.3400 15 H5 H1 E 14 11 10 1.091 108.952 69.35 0.0000 16 O5 Oh S 14 11 10 1.444 108.793 -172.08 -0.7200 17 H5O Ho E 16 14 11 0.966 106.322 170.63 0.4290 18 C4 Cg M 14 11 10 1.545 112.662 -52.43 0.1080 19 H4 H1 E 18 14 11 1.092 109.257 -67.90 0.0000 20 O4 Oh S 18 14 11 1.460 109.081 173.87 -0.6750 21 H4O Ho E 20 18 14 0.968 108.634 -176.45 0.4350 22 C3 Cg M 18 14 11 1.550 110.670 52.18 0.4640 23 H3 H1 E 22 18 14 1.092 108.385 68.01 0.0000 24 O3 Os M 22 18 14 1.453 108.659 -174.74 -0.4920 LOOP C3 C2 DONE 3BC INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.408 98.558 -136.37 0.3130 5 H1 H2 E 4 3 2 1.091 69.916 -94.06 0.0000 6 C2 Cg M 4 3 2 1.560 113.358 10.35 0.3540 7 H2 H1 E 6 4 3 1.092 107.992 101.47 0.0000 8 N2 Ng B 6 4 3 1.482 110.993 -18.32 -0.6460 9 H2N H E 8 6 4 1.005 117.749 -47.60 0.2870 10 C2N C B 8 6 4 1.339 123.653 132.27 0.5290 11 C2M Cg 3 10 8 6 1.543 115.754 177.65 0.0780 12 H23 Hc E 11 10 8 1.091 109.662 69.03 0.0000 13 H22 Hc E 11 10 8 1.091 110.049 -51.17 0.0000 14 H21 Hc E 11 10 8 1.091 110.260 -171.03 0.0000 15 O2N O E 10 8 6 1.228 122.945 -2.35 -0.5160 16 C3 Cg M 6 4 3 1.553 109.221 -141.10 0.1960 17 H3 H1 E 16 6 4 1.092 107.757 63.80 0.0000 18 C4 Cg 3 16 6 4 1.557 111.958 -54.52 0.5790 19 H4 H1 E 18 16 6 1.092 107.671 -66.49 0.0000 20 C5 Cg 3 18 16 6 1.553 111.334 52.25 0.1410 21 H5 H1 E 20 18 16 1.092 109.080 68.78 0.0000 22 C6 Cg 3 20 18 16 1.529 113.959 -169.86 0.0540 23 H63 H1 E 22 20 18 1.090 110.350 177.65 0.0000 24 H62 H1 E 22 20 18 1.091 110.671 57.53 0.0000 25 H61 H1 E 22 20 18 1.090 110.595 -62.81 0.0000 26 O5 Os E 20 18 16 1.484 110.731 -49.92 -0.4890 27 N4 Ng B 18 16 6 1.482 109.381 173.96 -0.8840 28 H4N H E 27 18 16 1.005 118.374 -46.73 0.3270 29 C4N C B 27 18 16 1.334 122.717 137.86 0.7200 30 C4M Cg 3 29 27 18 1.542 116.539 179.84 0.0380 31 H43 Hc E 30 29 27 1.091 109.727 63.50 0.0000 32 H42 Hc E 30 29 27 1.091 109.889 -56.66 0.0000 33 H41 Hc E 30 29 27 1.091 110.231 -176.59 0.0000 34 O4N O E 29 27 18 1.221 121.166 -0.20 -0.6220 35 O3 Os M 16 6 4 1.467 110.961 -179.24 -0.4590 LOOP O5 C1 DONE 3BD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410 5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130 6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000 7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000 8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680 9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140 10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400 11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000 12 C4 Cg 3 10 4 3 1.636 106.644 136.55 0.2250 13 H4 H1 E 12 10 4 1.091 108.604 98.33 0.0000 14 C5 Cg 3 12 10 4 1.626 107.413 -17.56 0.2710 15 H5 H1 E 14 12 10 1.091 108.621 126.81 0.0000 16 C6 Cg 3 14 12 10 1.543 115.360 -109.99 0.2810 17 H62 H1 E 16 14 12 1.091 109.980 67.38 0.0000 18 H61 H1 E 16 14 12 1.090 110.249 -51.87 0.0000 19 O6 Oh S 16 14 12 1.443 110.886 -171.63 -0.6790 20 H6O Ho E 19 16 14 0.959 110.164 69.40 0.4110 21 O5 Os E 14 12 10 1.587 104.732 10.45 -0.4520 22 O4 Oh S 12 10 4 1.457 112.032 -142.43 -0.7100 23 H4O Ho E 22 12 10 0.965 109.577 -74.18 0.4350 24 O3 Os M 10 4 3 1.453 115.892 -99.73 -0.5220 LOOP O5 C2 DONE 3BU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470 5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990 6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000 7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000 8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270 9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820 10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850 11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100 12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000 13 C6 Cg 3 11 10 4 1.541 109.962 118.91 0.3320 14 H62 H1 E 13 11 10 1.090 110.302 -58.44 0.0000 15 H61 H1 E 13 11 10 1.090 109.861 -177.80 0.0000 16 O6 Oh S 13 11 10 1.442 110.695 62.46 -0.7010 17 H6O Ho E 16 13 11 0.959 110.169 52.94 0.4090 18 C4 Cg M 11 10 4 1.624 104.801 -5.21 0.2830 19 H4 H1 E 18 11 10 1.091 107.561 -105.82 0.0000 20 O4 Oh S 18 11 10 1.453 112.691 135.08 -0.7550 21 H4O Ho E 20 18 11 0.964 109.402 171.47 0.4340 22 C3 Cg M 18 11 10 1.637 107.577 11.31 0.3820 23 H3 H1 E 22 18 11 1.091 108.163 103.95 0.0000 24 O3 Os M 22 18 11 1.455 110.878 -138.10 -0.5100 LOOP C3 C2 DONE 3CA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450 5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860 6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000 7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000 8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960 9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020 10 C3 Cg M 4 3 2 1.575 105.291 0.80 0.2470 11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000 12 C4 Cg 3 10 4 3 1.551 113.411 -152.18 0.3670 13 H4 H1 E 12 10 4 1.091 108.797 -167.01 0.0000 14 C5 Cg 3 12 10 4 1.544 112.343 -46.95 0.1950 15 H5 H1 E 14 12 10 1.091 108.612 -61.32 0.0000 16 C6 Cg 3 14 12 10 1.538 109.577 57.29 0.4370 17 H6E H1 E 16 14 12 1.090 109.936 -178.47 0.0000 18 H6A H1 E 16 14 12 1.091 110.981 62.19 0.0000 19 O6 Os E 16 14 12 1.483 109.646 -58.96 -0.6200 20 O5 Oh S 14 12 10 1.462 110.821 -179.28 -0.7090 21 H5O Ho E 20 14 12 0.964 110.741 154.55 0.4150 22 O4 Oh S 12 10 4 1.450 110.082 76.05 -0.7200 23 H4O Ho E 22 12 10 0.965 107.347 -174.93 0.3940 24 O3 Os M 10 4 3 1.466 111.567 86.40 -0.4430 LOOP O6 C2 DONE 3CB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440 5 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970 6 H12 H1 E 5 4 3 1.091 110.065 46.56 0.0000 7 H11 H1 E 5 4 3 1.088 110.800 165.58 0.0000 8 O1 Oh S 5 4 3 1.447 111.733 -74.36 -0.6690 9 H1O Ho E 8 5 4 0.961 109.456 -178.60 0.4010 10 O6 Os M 4 3 2 1.480 134.325 169.15 -0.4600 11 C6 Cg M 10 4 3 1.482 117.080 144.78 0.3650 12 H6E H1 E 11 10 4 1.090 108.978 178.11 0.0000 13 H6A H1 E 11 10 4 1.091 109.532 -63.87 0.0000 14 C5 Cg M 11 10 4 1.539 109.460 57.67 0.1950 15 H5 H1 E 14 11 10 1.091 107.780 64.61 0.0000 16 O5 Oh S 14 11 10 1.457 110.279 -178.31 -0.6840 17 H5O Ho E 16 14 11 0.965 109.084 80.29 0.4150 18 C4 Cg M 14 11 10 1.549 112.024 -54.46 0.3440 19 H4 H1 E 18 14 11 1.091 108.628 172.57 0.0000 20 O4 Oh S 18 14 11 1.459 109.986 -70.35 -0.6980 21 H4O Ho E 20 18 14 0.964 108.929 -144.70 0.4170 22 C3 Cg M 18 14 11 1.551 111.995 51.70 0.3170 23 H3 H1 E 22 18 14 1.091 109.680 -170.27 0.0000 24 O3 Os M 22 18 14 1.453 106.815 73.47 -0.4840 LOOP C3 C2 DONE 3CD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840 5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700 6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000 7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000 8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880 9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140 10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820 11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000 12 C4 Cg 3 10 4 3 1.638 106.495 134.41 0.3320 13 H4 H1 E 12 10 4 1.091 111.116 -136.07 0.0000 14 C5 Cg 3 12 10 4 1.621 107.987 -13.87 0.3090 15 H5 H1 E 14 12 10 1.092 110.544 126.66 0.0000 16 C6 Cg 3 14 12 10 1.538 111.506 -110.78 0.2650 17 H62 H1 E 16 14 12 1.091 109.952 69.16 0.0000 18 H61 H1 E 16 14 12 1.090 109.956 -49.70 0.0000 19 O6 Oh S 16 14 12 1.442 111.246 -169.72 -0.6640 20 H6O Ho E 19 16 14 0.960 110.855 67.48 0.4120 21 O5 Os E 14 12 10 1.584 104.926 8.85 -0.4980 22 O4 Oh S 12 10 4 1.453 108.919 105.00 -0.7840 23 H4O Ho E 22 12 10 0.965 110.375 -49.86 0.4440 24 O3 Os M 10 4 3 1.460 111.917 16.34 -0.4780 LOOP O5 C2 DONE 3CU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390 5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870 6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000 7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000 8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240 9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010 10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490 11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100 12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000 13 C6 Cg 3 11 10 4 1.529 108.415 119.08 0.2720 14 H62 H1 E 13 11 10 1.091 110.618 -56.09 0.0000 15 H61 H1 E 13 11 10 1.090 110.315 -176.31 0.0000 16 O6 Oh S 13 11 10 1.433 108.667 64.08 -0.6520 17 H6O Ho E 16 13 11 0.960 109.494 59.32 0.3970 18 C4 Cg M 11 10 4 1.622 105.503 -1.90 0.2930 19 H4 H1 E 18 11 10 1.092 112.170 133.69 0.0000 20 O4 Oh S 18 11 10 1.434 107.738 -106.47 -0.7630 21 H4O Ho E 20 18 11 0.960 109.480 -62.64 0.4310 22 C3 Cg M 18 11 10 1.624 107.882 8.77 0.3330 23 H3 H1 E 22 18 11 1.091 112.343 -135.61 0.0000 24 O3 Os M 22 18 11 1.439 105.085 106.18 -0.4750 LOOP C3 C2 DONE 3DA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980 5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000 6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460 7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000 8 O2 Oh S 6 4 3 1.458 109.515 -153.38 -0.6780 9 H2O Ho E 8 6 4 0.962 110.757 -69.34 0.4320 10 C3 Cg M 6 4 3 1.549 110.494 -31.75 0.1840 11 H3 H1 E 10 6 4 1.091 107.825 63.24 0.0000 12 C4 Cg 3 10 6 4 1.545 111.008 -55.58 0.3510 13 H4 H1 E 12 10 6 1.091 110.279 -64.03 0.0000 14 C5 Cg 3 12 10 6 1.543 110.247 57.45 0.2750 15 H5E H1 E 14 12 10 1.090 110.034 -173.80 0.0000 16 H5A H1 E 14 12 10 1.092 109.852 67.71 0.0000 17 O5 Os E 14 12 10 1.490 111.684 -52.70 -0.4870 18 O4 Oh S 12 10 6 1.447 108.954 176.38 -0.7110 19 H4O Ho E 18 12 10 0.966 106.152 48.96 0.4220 20 O3 Os M 10 6 4 1.459 111.377 -179.63 -0.4320 LOOP O5 C1 DONE 3DB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480 5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000 6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190 7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750 8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000 9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000 10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350 11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000 12 O4 Oh S 10 7 6 1.436 107.087 -169.38 -0.7090 13 H4O Ho E 12 10 7 0.960 109.449 -179.03 0.4360 14 C3 Cg M 10 7 6 1.543 111.797 -50.34 0.2010 15 H3 H1 E 14 10 7 1.092 109.081 -68.08 0.0000 16 C2 Cg B 14 10 7 1.543 112.432 51.79 0.2260 17 H2 H1 E 16 14 10 1.091 110.138 -175.60 0.0000 18 O2 Oh S 16 14 10 1.446 109.378 64.40 -0.6450 19 H2O Ho E 18 16 14 0.960 109.425 -178.57 0.4150 20 O3 Os M 14 10 7 1.440 109.833 173.78 -0.4630 LOOP C2 C1 DONE 3DD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800 5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000 6 C2 Cg M 4 3 2 1.631 107.390 17.90 0.2290 7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000 8 O2 Oh S 6 4 3 1.459 112.707 149.62 -0.6510 9 H2O Ho E 8 6 4 0.964 109.258 -67.04 0.4110 10 C3 Cg M 6 4 3 1.641 106.976 -85.59 0.2980 11 H3 H1 E 10 6 4 1.090 111.055 137.68 0.0000 12 C4 Cg 3 10 6 4 1.624 106.916 15.94 0.1890 13 H4 H1 E 12 10 6 1.091 107.278 99.07 0.0000 14 C5 Cg 3 12 10 6 1.537 117.355 -138.29 0.3050 15 H52 H1 E 14 12 10 1.090 110.349 -57.47 0.0000 16 H51 H1 E 14 12 10 1.090 110.600 62.82 0.0000 17 O5 Oh S 14 12 10 1.438 108.908 -177.29 -0.6970 18 H5O Ho E 17 14 12 0.962 108.141 -56.44 0.4140 19 O4 Os E 12 10 6 1.588 104.960 -15.19 -0.4230 20 O3 Os M 10 6 4 1.446 108.928 -102.08 -0.4550 LOOP O4 C1 DONE 3DU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360 5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000 6 O4 Os M 4 3 2 1.554 137.950 -176.42 -0.5170 7 C4 Cg M 6 4 3 1.588 113.584 155.63 0.1350 8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000 9 C5 Cg 3 7 6 4 1.542 110.504 119.77 0.3730 10 H52 H1 E 9 7 6 1.091 110.456 -60.02 0.0000 11 H51 H1 E 9 7 6 1.090 109.887 -179.59 0.0000 12 O5 Oh S 9 7 6 1.439 110.322 60.67 -0.7250 13 H5O Ho E 12 9 7 0.959 109.321 36.11 0.4180 14 C3 Cg M 7 6 4 1.620 104.668 -4.25 0.3000 15 H3 H1 E 14 7 6 1.091 107.749 -104.45 0.0000 16 C2 Cg B 14 7 6 1.642 107.806 11.75 0.2840 17 H2 H1 E 16 14 7 1.089 110.775 -134.90 0.0000 18 O2 Oh S 16 14 7 1.464 109.295 105.12 -0.6800 19 H2O Ho E 18 16 14 0.969 107.470 -139.03 0.4070 20 O3 Os M 14 7 6 1.446 112.944 136.27 -0.4310 LOOP C2 C1 DONE 3EA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800 5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000 6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790 7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000 8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900 9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470 10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280 11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000 12 C4 Cg 3 10 6 4 1.544 111.809 -45.05 0.2610 13 H4 H1 E 12 10 6 1.091 108.188 -68.68 0.0000 14 C5 Cg 3 12 10 6 1.541 113.133 51.50 0.3740 15 H5 H1 E 14 12 10 1.092 109.237 63.30 0.0000 16 C6 Cg 3 14 12 10 1.535 114.012 -174.39 0.2590 17 H62 H1 E 16 14 12 1.090 110.525 -56.55 0.0000 18 H61 H1 E 16 14 12 1.091 110.727 63.66 0.0000 19 O6 Oh S 16 14 12 1.434 108.916 -175.95 -0.6630 20 H6O Ho E 19 16 14 0.960 109.470 59.69 0.4060 21 O5 Os E 14 12 10 1.485 107.816 -54.81 -0.5870 22 O4 Oh S 12 10 6 1.439 109.304 174.29 -0.7210 23 H4O Ho E 22 12 10 0.960 109.412 -61.37 0.4150 24 O3 Os M 10 6 4 1.442 106.866 75.38 -0.4880 LOOP O5 C1 DONE 3EB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880 5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000 6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320 7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570 8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000 9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780 10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000 11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000 12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770 13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080 14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200 15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000 16 O4 Oh S 14 7 6 1.457 110.564 -175.67 -0.7240 17 H4O Ho E 16 14 7 0.964 110.039 -157.92 0.4200 18 C3 Cg M 14 7 6 1.554 111.196 -53.07 0.3150 19 H3 H1 E 18 14 7 1.091 109.198 176.72 0.0000 20 C2 Cg B 18 14 7 1.540 111.264 55.77 0.1840 21 H2 H1 E 20 18 14 1.091 109.856 -175.33 0.0000 22 O2 Oh S 20 18 14 1.463 107.825 66.95 -0.6970 23 H2O Ho E 22 20 18 0.966 108.305 -175.24 0.4320 24 O3 Os M 18 14 7 1.454 110.601 -64.53 -0.4720 LOOP C2 C1 DONE 3FA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990 5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000 6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560 7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000 8 O2 Oh S 6 4 3 1.463 112.192 101.91 -0.8040 9 H2O Ho E 8 6 4 0.961 108.560 155.60 0.4530 10 C3 Cg M 6 4 3 1.550 109.810 -22.26 0.2280 11 H3 H1 E 10 6 4 1.091 109.256 60.66 0.0000 12 C4 Cg 3 10 6 4 1.549 109.944 -58.35 0.2630 13 H4 H1 E 12 10 6 1.091 108.978 175.77 0.0000 14 C5 Cg 3 12 10 6 1.554 111.442 55.77 0.1870 15 H5 H1 E 14 12 10 1.091 107.126 67.59 0.0000 16 C6 Cg 3 14 12 10 1.531 115.122 -173.47 0.0650 17 H63 Hc E 16 14 12 1.090 111.280 -55.79 0.0000 18 H62 Hc E 16 14 12 1.091 111.136 -175.22 0.0000 19 H61 Hc E 16 14 12 1.091 112.013 64.74 0.0000 20 O5 Os E 14 12 10 1.495 111.650 -50.00 -0.4940 21 O4 Oh S 12 10 6 1.452 109.204 -66.42 -0.7390 22 H4O Ho E 21 12 10 0.966 107.152 -53.10 0.4470 23 O3 Os M 10 6 4 1.464 112.278 179.81 -0.4610 LOOP O5 C1 DONE 3FB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180 5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000 6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420 7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060 8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000 9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920 10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000 11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000 12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000 13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290 14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000 15 O4 Oh S 13 7 6 1.445 108.672 63.53 -0.6590 16 H4O Ho E 15 13 7 0.960 109.451 59.43 0.4230 17 C3 Cg M 13 7 6 1.542 109.625 -56.43 0.2550 18 H3 H1 E 17 13 7 1.092 107.830 -66.01 0.0000 19 C2 Cg B 17 13 7 1.542 112.898 54.44 0.3460 20 H2 H1 E 19 17 13 1.092 109.972 72.13 0.0000 21 O2 Oh S 19 17 13 1.439 107.835 -168.68 -0.7650 22 H2O Ho E 21 19 17 0.960 109.418 -179.92 0.4400 23 O3 Os M 17 13 7 1.440 109.284 176.95 -0.4430 LOOP C2 C1 DONE 3GA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090 5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000 6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460 7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000 8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130 9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370 10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860 11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000 12 C4 Cg 3 10 6 4 1.547 112.114 -52.22 0.2540 13 H4 H1 E 12 10 6 1.092 109.454 -66.45 0.0000 14 C5 Cg 3 12 10 6 1.543 111.254 54.50 0.2830 15 H5 H1 E 14 12 10 1.092 108.261 65.38 0.0000 16 C6 Cg 3 14 12 10 1.546 112.538 -174.79 0.2760 17 H62 H1 E 16 14 12 1.090 110.682 -45.93 0.0000 18 H61 H1 E 16 14 12 1.091 110.014 73.31 0.0000 19 O6 Oh S 16 14 12 1.444 110.823 -165.78 -0.6820 20 H6O Ho E 19 16 14 0.960 109.735 78.35 0.4180 21 O5 Os E 14 12 10 1.500 109.539 -52.54 -0.5740 22 O4 Oh S 12 10 6 1.451 108.956 174.69 -0.7100 23 H4O Ho E 22 12 10 0.968 107.227 50.66 0.4360 24 O3 Os M 10 6 4 1.452 108.531 -172.18 -0.4660 LOOP O5 C1 DONE 3GB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840 5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000 6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710 7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250 8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000 9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820 10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000 11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000 12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880 13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240 14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760 15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000 16 O4 Oh S 14 7 6 1.448 108.899 -174.36 -0.7140 17 H4O Ho E 16 14 7 0.967 107.435 172.17 0.4400 18 C3 Cg M 14 7 6 1.548 111.306 -54.04 0.2840 19 H3 H1 E 18 14 7 1.092 109.104 -67.30 0.0000 20 C2 Cg B 18 14 7 1.545 112.113 53.55 0.3100 21 H2 H1 E 20 18 14 1.092 109.394 68.33 0.0000 22 O2 Oh S 20 18 14 1.458 108.975 -172.91 -0.7180 23 H2O Ho E 22 20 18 0.966 108.053 175.61 0.4370 24 O3 Os M 18 14 7 1.454 108.817 174.47 -0.4710 LOOP C2 C1 DONE 3HA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940 5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000 6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480 7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000 8 O2 Oh S 6 4 3 1.456 109.547 -146.01 -0.6700 9 H2O Ho E 8 6 4 0.965 106.818 171.13 0.4210 10 C3 Cg M 6 4 3 1.545 110.654 -24.92 0.2360 11 H3 H1 E 10 6 4 1.092 108.370 66.81 0.0000 12 C4 Cg 3 10 6 4 1.545 112.380 -53.49 0.1870 13 H4 H1 E 12 10 6 1.091 109.690 -65.16 0.0000 14 C5 Cg 3 12 10 6 1.549 110.317 55.89 0.2790 15 H5 H1 E 14 12 10 1.092 108.902 66.22 0.0000 16 C6 Cg 3 14 12 10 1.530 113.869 -172.74 0.0230 17 H63 Hc E 16 14 12 1.090 111.509 -61.06 0.0000 18 H62 Hc E 16 14 12 1.091 111.314 179.43 0.0000 19 H61 Hc E 16 14 12 1.091 111.668 59.25 0.0000 20 O5 Os E 14 12 10 1.486 110.695 -52.49 -0.4610 21 O4 Oh S 12 10 6 1.456 108.727 175.97 -0.6440 22 H4O Ho E 21 12 10 0.963 110.183 165.58 0.4050 23 O3 Os M 10 6 4 1.452 109.719 -175.81 -0.4180 LOOP O5 C1 DONE 3HB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810 5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000 6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270 7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720 8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000 9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390 10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000 11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000 12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000 13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880 14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000 15 O4 Oh S 13 7 6 1.438 107.632 -167.68 -0.7280 16 H4O Ho E 15 13 7 0.960 109.440 -59.01 0.4320 17 C3 Cg M 13 7 6 1.543 112.131 -48.94 0.1820 18 H3 H1 E 17 13 7 1.092 109.049 -68.66 0.0000 19 C2 Cg B 17 13 7 1.542 112.684 51.25 0.2430 20 H2 H1 E 19 17 13 1.091 110.140 -175.78 0.0000 21 O2 Oh S 19 17 13 1.446 109.350 64.20 -0.6730 22 H2O Ho E 21 19 17 0.960 109.408 59.77 0.4320 23 O3 Os M 17 13 7 1.440 109.818 173.25 -0.4410 LOOP C2 C1 DONE 3JA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140 5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100 6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000 7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000 8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560 9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050 10 C3 Cg M 4 3 2 1.561 108.078 4.40 0.2710 11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000 12 C4 Cg 3 10 4 3 1.550 111.054 -149.95 0.2810 13 H4 H1 E 12 10 4 1.091 108.892 64.55 0.0000 14 C5 Cg 3 12 10 4 1.547 111.417 -55.51 0.2730 15 H5 H1 E 14 12 10 1.091 109.946 -64.34 0.0000 16 C6 Cg 3 14 12 10 1.541 110.532 56.44 0.3680 17 H6E H1 E 16 14 12 1.090 110.023 -172.59 0.0000 18 H6A H1 E 16 14 12 1.091 109.951 68.78 0.0000 19 O6 Os E 16 14 12 1.489 111.422 -51.66 -0.5040 20 O5 Oh S 14 12 10 1.453 109.662 176.22 -0.6990 21 H5O Ho E 20 14 12 0.965 108.090 56.66 0.4190 22 O4 Oh S 12 10 4 1.460 109.496 -177.99 -0.6720 23 H4O Ho E 22 12 10 0.964 109.388 -81.32 0.4130 24 O3 Os M 10 4 3 1.458 110.234 89.20 -0.4230 LOOP O6 C2 DONE 3JB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130 5 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800 6 H12 H1 E 5 4 3 1.091 109.821 33.19 0.0000 7 H11 H1 E 5 4 3 1.089 110.419 151.32 0.0000 8 O1 Oh S 5 4 3 1.444 112.820 -88.26 -0.7220 9 H1O Ho E 8 5 4 0.965 107.671 41.74 0.4320 10 O6 Os M 4 3 2 1.484 136.913 168.93 -0.5510 11 C6 Cg M 10 4 3 1.484 117.065 151.25 0.2920 12 H6E H1 E 11 10 4 1.090 109.046 175.12 0.0000 13 H6A H1 E 11 10 4 1.091 108.728 -67.49 0.0000 14 C5 Cg M 11 10 4 1.547 111.063 53.76 0.3740 15 H5 H1 E 14 11 10 1.091 108.987 71.66 0.0000 16 O5 Oh S 14 11 10 1.455 109.300 -169.66 -0.7290 17 H5O Ho E 16 14 11 0.962 111.074 52.54 0.4260 18 C4 Cg M 14 11 10 1.550 111.895 -49.63 0.1550 19 H4 H1 E 18 14 11 1.090 108.402 -67.51 0.0000 20 O4 Oh S 18 14 11 1.459 110.935 175.25 -0.6840 21 H4O Ho E 20 18 14 0.968 109.165 45.21 0.4380 22 C3 Cg M 18 14 11 1.551 111.966 52.01 0.3630 23 H3 H1 E 22 18 14 1.091 109.562 -175.27 0.0000 24 O3 Os M 22 18 14 1.461 107.359 67.28 -0.4870 LOOP C3 C2 DONE 3JD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920 5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890 6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000 7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000 8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540 9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800 10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930 11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000 12 C4 Cg 3 10 4 3 1.642 105.965 138.66 0.2330 13 H4 H1 E 12 10 4 1.090 107.367 95.04 0.0000 14 C5 Cg 3 12 10 4 1.625 107.375 -19.81 0.1900 15 H5 H1 E 14 12 10 1.091 108.940 130.16 0.0000 16 C6 Cg 3 14 12 10 1.542 114.908 -106.54 0.3400 17 H62 H1 E 16 14 12 1.090 110.250 66.65 0.0000 18 H61 H1 E 16 14 12 1.090 110.186 -52.85 0.0000 19 O6 Oh S 16 14 12 1.441 110.517 -172.30 -0.7250 20 H6O Ho E 19 16 14 0.959 110.296 58.30 0.4250 21 O5 Os E 14 12 10 1.585 104.597 13.44 -0.4100 22 O4 Oh S 12 10 4 1.458 113.311 -146.22 -0.6710 23 H4O Ho E 22 12 10 0.965 110.086 -102.72 0.4140 24 O3 Os M 10 4 3 1.455 110.333 22.08 -0.4960 LOOP O5 C2 DONE 3JU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510 5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330 6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000 7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000 8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970 9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150 10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890 11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000 12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000 13 C6 Cg 3 11 10 4 1.537 108.498 118.12 0.3490 14 H62 H1 E 13 11 10 1.089 110.316 -54.99 0.0000 15 H61 H1 E 13 11 10 1.090 111.054 -175.70 0.0000 16 O6 Oh S 13 11 10 1.435 108.026 64.54 -0.6840 17 H6O Ho E 16 13 11 0.962 107.568 -44.32 0.4110 18 C4 Cg M 11 10 4 1.619 104.895 -5.59 0.2840 19 H4 H1 E 18 11 10 1.091 107.554 -103.32 0.0000 20 O4 Oh S 18 11 10 1.442 113.035 137.27 -0.6570 21 H4O Ho E 20 18 11 0.969 105.977 -113.16 0.4100 22 C3 Cg M 18 11 10 1.639 107.844 12.75 0.2230 23 H3 H1 E 22 18 11 1.090 110.597 -136.61 0.0000 24 O3 Os M 22 18 11 1.460 109.186 103.85 -0.4490 LOOP C3 C2 DONE 3KA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730 5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000 6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810 7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000 8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160 9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270 10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540 11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000 12 C4 Cg 3 10 6 4 1.541 111.196 -48.97 0.1960 13 H4 H1 E 12 10 6 1.091 109.723 170.85 0.0000 14 C5 Cg 3 12 10 6 1.549 113.058 48.50 0.3010 15 H5 H1 E 14 12 10 1.092 107.347 66.38 0.0000 16 C6 Cg 3 14 12 10 1.535 114.885 -173.99 0.2870 17 H62 H1 E 16 14 12 1.090 110.246 -52.70 0.0000 18 H61 H1 E 16 14 12 1.091 110.887 67.51 0.0000 19 O6 Oh S 16 14 12 1.434 108.908 -172.15 -0.6910 20 H6O Ho E 19 16 14 0.960 109.471 59.53 0.4220 21 O5 Os E 14 12 10 1.489 109.902 -50.90 -0.5400 22 O4 Oh S 12 10 6 1.440 107.338 -72.13 -0.7120 23 H4O Ho E 22 12 10 0.960 109.466 -178.56 0.4200 24 O3 Os M 10 6 4 1.440 110.218 69.79 -0.5020 LOOP O5 C1 DONE 3KB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490 5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000 6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140 7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030 8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000 9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590 10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000 11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000 12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700 13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160 14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170 15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000 16 O4 Oh S 14 7 6 1.455 110.952 69.39 -0.7000 17 H4O Ho E 16 14 7 0.964 110.377 163.16 0.4250 18 C3 Cg M 14 7 6 1.545 111.117 -51.77 0.2530 19 H3 H1 E 18 14 7 1.091 109.391 173.95 0.0000 20 C2 Cg B 18 14 7 1.547 111.988 52.75 0.3080 21 H2 H1 E 20 18 14 1.091 108.509 65.85 0.0000 22 O2 Oh S 20 18 14 1.462 109.337 -176.76 -0.7100 23 H2O Ho E 22 20 18 0.965 108.091 178.76 0.4260 24 O3 Os M 18 14 7 1.452 107.992 -68.85 -0.4620 LOOP C2 C1 DONE 3LA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650 5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000 6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390 7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000 8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240 9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310 10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530 11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000 12 C4 Cg 3 10 6 4 1.544 111.714 -53.08 0.2040 13 H4 H1 E 12 10 6 1.091 109.766 175.51 0.0000 14 C5 Cg 3 12 10 6 1.544 110.422 54.48 0.2160 15 H5 H1 E 14 12 10 1.092 107.514 62.91 0.0000 16 C6 Cg 3 14 12 10 1.535 114.934 -177.18 0.3080 17 H62 H1 E 16 14 12 1.090 110.251 -53.15 0.0000 18 H61 H1 E 16 14 12 1.091 110.918 67.08 0.0000 19 O6 Oh S 16 14 12 1.434 108.858 -172.60 -0.6840 20 H6O Ho E 19 16 14 0.960 109.466 59.52 0.4180 21 O5 Os E 14 12 10 1.490 109.289 -54.45 -0.5270 22 O4 Oh S 12 10 6 1.445 109.785 -64.95 -0.6730 23 H4O Ho E 22 12 10 0.960 109.470 179.80 0.4360 24 O3 Os M 10 6 4 1.440 110.035 -174.48 -0.4620 LOOP O5 C1 DONE 3LB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740 5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000 6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020 7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400 8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000 9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190 10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000 11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000 12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930 13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190 14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030 15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000 16 O4 Oh S 14 7 6 1.449 109.628 67.34 -0.6640 17 H4O Ho E 16 14 7 0.967 107.158 -172.89 0.4370 18 C3 Cg M 14 7 6 1.546 110.517 -53.62 0.2590 19 H3 H1 E 18 14 7 1.092 108.098 -64.81 0.0000 20 C2 Cg B 18 14 7 1.547 112.254 55.04 0.3570 21 H2 H1 E 20 18 14 1.092 109.716 67.43 0.0000 22 O2 Oh S 20 18 14 1.459 108.705 -173.71 -0.7260 23 H2O Ho E 22 20 18 0.965 107.724 175.67 0.4320 24 O3 Os M 18 14 7 1.455 109.126 178.29 -0.4550 LOOP C2 C1 DONE 3MA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330 5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000 6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450 7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000 8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170 9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460 10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520 11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000 12 C4 Cg 3 10 6 4 1.549 111.609 -54.79 0.3260 13 H4 H1 E 12 10 6 1.091 109.865 -64.38 0.0000 14 C5 Cg 3 12 10 6 1.546 110.605 57.15 0.2760 15 H5 H1 E 14 12 10 1.092 108.214 65.71 0.0000 16 C6 Cg 3 14 12 10 1.544 112.153 -174.59 0.2660 17 H62 H1 E 16 14 12 1.090 110.579 -46.84 0.0000 18 H61 H1 E 16 14 12 1.091 110.051 72.33 0.0000 19 O6 Oh S 16 14 12 1.444 110.952 -166.67 -0.6880 20 H6O Ho E 19 16 14 0.960 109.923 72.72 0.4220 21 O5 Os E 14 12 10 1.497 110.394 -52.31 -0.5070 22 O4 Oh S 12 10 6 1.452 108.734 176.59 -0.7330 23 H4O Ho E 22 12 10 0.966 107.267 52.91 0.4380 24 O3 Os M 10 6 4 1.461 109.595 -177.93 -0.4590 LOOP O5 C1 DONE 3MB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140 5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000 6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930 7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060 8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000 9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730 10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000 11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000 12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800 13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190 14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490 15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000 16 O4 Oh S 14 7 6 1.452 108.352 -170.58 -0.7460 17 H4O Ho E 16 14 7 0.963 108.380 -159.72 0.4430 18 C3 Cg M 14 7 6 1.553 110.419 -50.51 0.2630 19 H3 H1 E 18 14 7 1.092 108.588 -60.79 0.0000 20 C2 Cg B 18 14 7 1.547 110.623 57.43 0.2410 21 H2 H1 E 20 18 14 1.091 110.076 180.00 0.0000 22 O2 Oh S 20 18 14 1.459 110.769 59.28 -0.6640 23 H2O Ho E 22 20 18 0.964 107.524 -173.81 0.4310 24 O3 Os M 18 14 7 1.457 111.995 -178.50 -0.4560 LOOP C2 C1 DONE 3NA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780 5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000 6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280 7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000 8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680 9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150 10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300 11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000 12 C4 Cg 3 10 6 4 1.543 108.602 -52.73 0.1670 13 H4 H1 E 12 10 6 1.091 108.011 -66.83 0.0000 14 C5 Cg 3 12 10 6 1.545 113.659 53.52 0.4040 15 H5 H1 E 14 12 10 1.092 109.059 65.09 0.0000 16 C6 Cg 3 14 12 10 1.535 113.747 -172.97 0.2800 17 H62 H1 E 16 14 12 1.090 110.540 -56.41 0.0000 18 H61 H1 E 16 14 12 1.091 110.668 63.75 0.0000 19 O6 Oh S 16 14 12 1.434 109.011 -175.88 -0.6630 20 H6O Ho E 19 16 14 0.960 109.493 59.88 0.3960 21 O5 Os E 14 12 10 1.489 108.589 -53.11 -0.6110 22 O4 Oh S 12 10 6 1.439 109.206 176.30 -0.7330 23 H4O Ho E 22 12 10 0.960 109.442 -63.39 0.4440 24 O3 Os M 10 6 4 1.445 109.604 67.22 -0.4670 LOOP O5 C1 DONE 3NB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220 5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000 6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070 7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980 8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000 9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130 10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000 11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000 12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890 13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180 14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860 15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000 16 O4 Oh S 14 7 6 1.447 110.674 -178.31 -0.7070 17 H4O Ho E 16 14 7 0.966 108.053 84.25 0.4300 18 C3 Cg M 14 7 6 1.546 111.303 -56.16 0.2340 19 H3 H1 E 18 14 7 1.092 109.685 177.82 0.0000 20 C2 Cg B 18 14 7 1.544 109.920 57.50 0.3010 21 H2 H1 E 20 18 14 1.093 108.226 64.66 0.0000 22 O2 Oh S 20 18 14 1.458 109.185 -178.16 -0.7030 23 H2O Ho E 22 20 18 0.966 108.382 -178.62 0.4240 24 O3 Os M 18 14 7 1.458 109.719 -63.09 -0.4200 LOOP C2 C1 DONE 3OA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050 5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000 6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130 7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000 8 O2 Oh S 6 4 3 1.464 109.237 -44.39 -0.7710 9 H2O Ho E 8 6 4 0.966 105.614 -34.97 0.4310 10 C3 Cg M 6 4 3 1.548 110.939 -166.09 0.2510 11 H3 H1 E 10 6 4 1.092 108.206 62.18 0.0000 12 C4 Cg 3 10 6 4 1.551 110.284 -55.76 0.2670 13 H4 H1 E 12 10 6 1.091 109.469 -178.62 0.0000 14 C5 Cg 3 12 10 6 1.540 109.735 61.11 0.0540 15 H5 H1 E 14 12 10 1.092 108.800 60.69 0.0000 16 C6 C B 14 12 10 1.566 106.527 176.50 0.8960 17 O6A O2 E 16 14 12 1.252 116.529 -102.85 -0.8220 18 O6B O2 E 16 14 12 1.255 117.285 72.11 -0.8220 19 O5 Os E 14 12 10 1.515 109.060 -56.67 -0.4240 20 O4 Oh S 12 10 6 1.455 111.597 -58.02 -0.7040 21 H4O Ho E 20 12 10 0.981 106.629 154.94 0.4290 22 O3 Os M 10 6 4 1.460 111.666 179.27 -0.5030 LOOP O5 C1 DONE 3OB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010 5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000 6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140 7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490 8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000 9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380 10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940 11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940 12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600 13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000 14 O4 Oh S 12 7 6 1.450 109.662 65.53 -0.6610 15 H4O Ho E 14 12 7 0.961 107.547 -173.76 0.4020 16 C3 Cg M 12 7 6 1.548 110.856 -55.41 0.2590 17 H3 H1 E 16 12 7 1.092 108.063 -63.15 0.0000 18 C2 Cg B 16 12 7 1.553 111.733 55.81 0.3830 19 H2 H1 E 18 16 12 1.091 109.497 69.57 0.0000 20 O2 Oh S 18 16 12 1.460 110.302 -170.66 -0.7320 21 H2O Ho E 20 18 16 0.962 106.473 175.50 0.4010 22 O3 Os M 16 12 7 1.466 108.667 -179.51 -0.4980 LOOP C2 C1 DONE 3PA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170 5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270 6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000 7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000 8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440 9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930 10 C3 Cg M 4 3 2 1.558 99.850 -27.83 0.1500 11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000 12 C4 Cg 3 10 4 3 1.543 115.259 -167.84 0.3940 13 H4 H1 E 12 10 4 1.091 110.047 -172.55 0.0000 14 C5 Cg 3 12 10 4 1.541 108.511 -52.13 0.1530 15 H5 H1 E 14 12 10 1.091 108.437 -65.69 0.0000 16 C6 Cg 3 14 12 10 1.536 113.177 54.52 0.3930 17 H6E H1 E 16 14 12 1.090 110.388 -174.85 0.0000 18 H6A H1 E 16 14 12 1.091 110.767 65.28 0.0000 19 O6 Os E 16 14 12 1.482 109.077 -55.00 -0.5980 20 O5 Oh S 14 12 10 1.437 110.081 176.63 -0.6930 21 H5O Ho E 20 14 12 0.960 109.495 56.94 0.4280 22 O4 Oh S 12 10 4 1.445 109.700 67.72 -0.7020 23 H4O Ho E 22 12 10 0.960 109.435 60.08 0.4320 24 O3 Os M 10 4 3 1.441 111.232 -41.58 -0.4500 LOOP O6 C2 DONE 3PB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070 5 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790 6 H12 H1 E 5 4 3 1.091 110.003 43.55 0.0000 7 H11 H1 E 5 4 3 1.088 110.382 162.11 0.0000 8 O1 Oh S 5 4 3 1.452 112.720 -77.60 -0.7200 9 H1O Ho E 8 5 4 0.961 109.403 -178.93 0.4100 10 O6 Os M 4 3 2 1.479 135.293 168.58 -0.5400 11 C6 Cg M 10 4 3 1.483 117.190 146.77 0.3640 12 H6E H1 E 11 10 4 1.090 109.004 179.12 0.0000 13 H6A H1 E 11 10 4 1.091 109.618 -62.69 0.0000 14 C5 Cg M 11 10 4 1.540 108.996 58.93 0.1880 15 H5 H1 E 14 11 10 1.091 108.080 63.62 0.0000 16 O5 Oh S 14 11 10 1.454 110.659 -178.62 -0.7050 17 H5O Ho E 16 14 11 0.967 108.400 85.69 0.4330 18 C4 Cg M 14 11 10 1.546 111.137 -55.37 0.3280 19 H4 H1 E 18 14 11 1.091 109.097 173.70 0.0000 20 O4 Oh S 18 14 11 1.453 109.563 -68.11 -0.6980 21 H4O Ho E 20 18 14 0.967 106.113 178.47 0.4270 22 C3 Cg M 18 14 11 1.548 111.648 53.12 0.1800 23 H3 H1 E 22 18 14 1.092 106.115 68.15 0.0000 24 O3 Os M 22 18 14 1.462 110.163 -176.47 -0.4530 LOOP C3 C2 DONE 3PD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240 5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860 6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000 7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000 8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910 9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190 10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340 11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000 12 C4 Cg 3 10 4 3 1.629 107.129 121.35 0.2820 13 H4 H1 E 12 10 4 1.091 111.828 -141.87 0.0000 14 C5 Cg 3 12 10 4 1.626 106.867 -18.01 0.1940 15 H5 H1 E 14 12 10 1.092 111.109 129.12 0.0000 16 C6 Cg 3 14 12 10 1.529 112.801 -107.47 0.2910 17 H62 H1 E 16 14 12 1.091 110.695 60.83 0.0000 18 H61 H1 E 16 14 12 1.090 110.281 -59.44 0.0000 19 O6 Oh S 16 14 12 1.433 108.604 -178.96 -0.6950 20 H6O Ho E 19 16 14 0.960 109.454 59.02 0.4110 21 O5 Os E 14 12 10 1.580 105.532 10.85 -0.4530 22 O4 Oh S 12 10 4 1.437 109.593 96.29 -0.6830 23 H4O Ho E 22 12 10 0.960 109.464 62.85 0.4210 24 O3 Os M 10 4 3 1.441 114.290 -111.78 -0.4400 LOOP O5 C2 DONE 3PU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880 5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650 6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000 7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000 8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870 9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180 10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800 11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690 12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000 13 C6 Cg 3 11 10 4 1.529 108.414 112.31 0.2150 14 H62 H1 E 13 11 10 1.091 110.659 -56.54 0.0000 15 H61 H1 E 13 11 10 1.090 110.301 -176.80 0.0000 16 O6 Oh S 13 11 10 1.433 108.649 63.62 -0.6780 17 H6O Ho E 16 13 11 0.960 109.500 58.51 0.4210 18 C4 Cg M 11 10 4 1.623 105.494 -8.76 0.1920 19 H4 H1 E 18 11 10 1.091 112.074 133.66 0.0000 20 O4 Oh S 18 11 10 1.438 106.122 -107.17 -0.7110 21 H4O Ho E 20 18 11 0.960 109.445 -63.95 0.4380 22 C3 Cg M 18 11 10 1.631 107.338 11.41 0.3340 23 H3 H1 E 22 18 11 1.091 107.070 107.51 0.0000 24 O3 Os M 22 18 11 1.441 112.809 -134.73 -0.4840 LOOP C3 C2 DONE 3QA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650 5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000 6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810 7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000 8 O2 Oh S 6 4 3 1.464 109.956 96.40 -0.6950 9 H2O Ho E 8 6 4 0.963 109.360 -58.41 0.4220 10 C3 Cg M 6 4 3 1.550 110.755 -28.22 0.3120 11 H3 H1 E 10 6 4 1.092 109.248 69.54 0.0000 12 C4 Cg 3 10 6 4 1.550 112.115 -52.01 0.2080 13 H4 H1 E 12 10 6 1.092 109.113 -67.92 0.0000 14 C5 Cg 3 12 10 6 1.546 111.848 52.85 0.2340 15 H5 H1 E 14 12 10 1.092 108.966 67.39 0.0000 16 C6 Cg 3 14 12 10 1.531 114.081 -171.50 0.0600 17 H63 Hc E 16 14 12 1.091 111.703 58.97 0.0000 18 H62 Hc E 16 14 12 1.091 111.508 -61.39 0.0000 19 H61 Hc E 16 14 12 1.091 111.279 179.14 0.0000 20 O5 Os E 14 12 10 1.487 110.112 -51.22 -0.5590 21 O4 Oh S 12 10 6 1.456 109.169 173.44 -0.6640 22 H4O Ho E 21 12 10 0.963 110.329 161.22 0.4030 23 O3 Os M 10 6 4 1.451 110.060 -171.22 -0.4670 LOOP O5 C1 DONE 3QB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910 5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000 6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350 7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710 8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000 9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480 10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000 11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000 12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000 13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500 14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000 15 O4 Oh S 13 7 6 1.451 108.892 -172.72 -0.7130 16 H4O Ho E 15 13 7 0.966 107.748 175.11 0.4210 17 C3 Cg M 13 7 6 1.549 111.410 -52.29 0.3000 18 H3 H1 E 17 13 7 1.092 108.988 -68.86 0.0000 19 C2 Cg B 17 13 7 1.546 112.577 52.00 0.3230 20 H2 H1 E 19 17 13 1.092 109.469 68.14 0.0000 21 O2 Oh S 19 17 13 1.460 109.130 -172.95 -0.7130 22 H2O Ho E 21 19 17 0.966 107.987 174.66 0.4200 23 O3 Os M 17 13 7 1.454 108.773 173.08 -0.4630 LOOP C2 C1 DONE 3RA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880 5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000 6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530 7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000 8 O2 Oh S 6 4 3 1.439 110.676 -40.46 -0.7110 9 H2O Ho E 8 6 4 0.960 109.367 -64.82 0.4190 10 C3 Cg M 6 4 3 1.542 115.155 -166.91 0.3450 11 H3 H1 E 10 6 4 1.091 110.101 -172.87 0.0000 12 C4 Cg 3 10 6 4 1.542 108.334 -52.41 0.1220 13 H4 H1 E 12 10 6 1.091 108.377 -66.41 0.0000 14 C5 Cg 3 12 10 6 1.537 113.340 53.79 0.3770 15 H5E H1 E 14 12 10 1.090 110.366 -174.24 0.0000 16 H5A H1 E 14 12 10 1.091 110.701 65.98 0.0000 17 O5 Os E 14 12 10 1.483 109.246 -54.31 -0.5610 18 O4 Oh S 12 10 6 1.437 110.093 175.95 -0.6630 19 H4O Ho E 18 12 10 0.960 109.433 -63.23 0.4190 20 O3 Os M 10 6 4 1.445 109.646 67.35 -0.4880 LOOP O5 C1 DONE 3RB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810 5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000 6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760 7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350 8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000 9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000 10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360 11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000 12 O4 Oh S 10 7 6 1.453 110.505 -177.82 -0.6950 13 H4O Ho E 12 10 7 0.963 110.348 -165.05 0.4110 14 C3 Cg M 10 7 6 1.548 110.878 -55.20 0.2030 15 H3 H1 E 14 10 7 1.091 109.669 178.81 0.0000 16 C2 Cg B 14 10 7 1.550 108.635 58.91 0.3850 17 H2 H1 E 16 14 10 1.092 108.039 58.75 0.0000 18 O2 Oh S 16 14 10 1.459 111.068 175.70 -0.7320 19 H2O Ho E 18 16 14 0.963 108.588 169.06 0.4140 20 O3 Os M 14 10 7 1.460 108.674 -62.27 -0.4620 LOOP C2 C1 DONE 3RD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450 5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000 6 C2 Cg M 4 3 2 1.639 108.788 16.92 0.3180 7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000 8 O2 Oh S 6 4 3 1.461 116.185 -94.11 -0.7090 9 H2O Ho E 8 6 4 0.962 110.320 178.71 0.4160 10 C3 Cg M 6 4 3 1.641 106.653 138.14 0.2750 11 H3 H1 E 10 6 4 1.090 110.829 -140.13 0.0000 12 C4 Cg 3 10 6 4 1.627 107.074 -17.90 0.3270 13 H4 H1 E 12 10 6 1.091 110.687 126.58 0.0000 14 C5 Cg 3 12 10 6 1.540 111.841 -110.98 0.1950 15 H52 H1 E 14 12 10 1.090 109.854 62.87 0.0000 16 H51 H1 E 14 12 10 1.090 109.790 -55.87 0.0000 17 O5 Oh S 14 12 10 1.441 111.480 -176.24 -0.6670 18 H5O Ho E 17 14 12 0.961 110.927 63.80 0.4080 19 O4 Os E 12 10 6 1.590 104.801 9.06 -0.5130 20 O3 Os M 10 6 4 1.452 110.052 99.39 -0.4950 LOOP O4 C1 DONE 3RU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780 5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000 6 O4 Os M 4 3 2 1.557 127.421 149.85 -0.4240 7 C4 Cg M 6 4 3 1.587 113.195 -122.12 0.1020 8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000 9 C5 Cg 3 7 6 4 1.534 111.781 126.34 0.3380 10 H52 H1 E 9 7 6 1.090 110.006 -172.13 0.0000 11 H51 H1 E 9 7 6 1.090 110.394 -52.52 0.0000 12 O5 Oh S 9 7 6 1.436 109.887 68.16 -0.6920 13 H5O Ho E 12 9 7 0.959 109.586 178.63 0.4150 14 C3 Cg M 7 6 4 1.616 104.949 4.12 0.2890 15 H3 H1 E 14 7 6 1.091 109.320 105.86 0.0000 16 C2 Cg B 14 7 6 1.643 107.735 -11.40 0.2930 17 H2 H1 E 16 14 7 1.091 110.396 135.88 0.0000 18 O2 Oh S 16 14 7 1.462 110.605 -103.78 -0.6700 19 H2O Ho E 18 16 14 0.963 109.628 -173.50 0.4200 20 O3 Os M 14 7 6 1.443 110.518 -134.81 -0.4490 LOOP C2 C1 DONE 3TA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560 5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000 6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450 7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000 8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550 9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360 10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240 11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000 12 C4 Cg 3 10 6 4 1.543 114.910 -48.48 0.4340 13 H4 H1 E 12 10 6 1.091 109.633 172.69 0.0000 14 C5 Cg 3 12 10 6 1.544 109.739 52.34 0.1570 15 H5 H1 E 14 12 10 1.092 107.463 63.77 0.0000 16 C6 Cg 3 14 12 10 1.535 114.896 -176.35 0.3040 17 H62 H1 E 16 14 12 1.090 110.263 -52.86 0.0000 18 H61 H1 E 16 14 12 1.091 110.896 67.37 0.0000 19 O6 Oh S 16 14 12 1.434 108.863 -172.31 -0.6690 20 H6O Ho E 19 16 14 0.960 109.462 59.57 0.4010 21 O5 Os E 14 12 10 1.488 109.541 -53.52 -0.4800 22 O4 Oh S 12 10 6 1.443 110.261 -67.82 -0.7310 23 H4O Ho E 22 12 10 0.960 109.459 -179.88 0.4170 24 O3 Os M 10 6 4 1.439 110.774 -174.86 -0.4390 LOOP O5 C1 DONE 3TB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060 5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000 6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540 7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310 8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000 9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490 10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000 11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000 12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660 13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060 14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140 15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000 16 O4 Oh S 14 7 6 1.443 108.917 69.31 -0.6260 17 H4O Ho E 16 14 7 0.960 109.455 59.28 0.4130 18 C3 Cg M 14 7 6 1.547 110.218 -51.66 0.1740 19 H3 H1 E 18 14 7 1.091 106.762 -67.21 0.0000 20 C2 Cg B 18 14 7 1.545 114.890 50.96 0.3400 21 H2 H1 E 20 18 14 1.091 109.957 -172.30 0.0000 22 O2 Oh S 20 18 14 1.444 109.766 67.90 -0.6370 23 H2O Ho E 22 20 18 0.960 109.413 -178.32 0.3970 24 O3 Os M 18 14 7 1.439 110.707 177.22 -0.4470 LOOP C2 C1 DONE 3UA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630 5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000 6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590 7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000 8 O2 Oh S 6 4 3 1.469 109.784 103.84 -0.6850 9 H2O Ho E 8 6 4 0.960 110.184 68.39 0.3850 10 C3 Cg M 6 4 3 1.555 110.585 -134.12 0.4170 11 H3 H1 E 10 6 4 1.092 108.809 -73.26 0.0000 12 C4 Cg 3 10 6 4 1.551 113.490 47.73 0.2230 13 H4 H1 E 12 10 6 1.092 108.495 63.78 0.0000 14 C5 Cg 3 12 10 6 1.541 110.331 -54.77 0.2320 15 H5 H1 E 14 12 10 1.091 107.517 172.11 0.0000 16 C6 C B 14 12 10 1.591 111.292 -72.79 0.6970 17 O6A O2 E 16 14 12 1.252 118.306 124.19 -0.7570 18 O6B O2 E 16 14 12 1.255 117.111 -52.87 -0.7570 19 O5 Os E 14 12 10 1.503 106.777 57.99 -0.5150 20 O4 Oh S 12 10 6 1.461 110.962 -178.03 -0.7110 21 H4O Ho E 20 12 10 0.984 107.477 94.04 0.3970 22 O3 Os M 10 6 4 1.454 110.391 168.10 -0.5480 LOOP O5 C1 DONE 3UB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780 5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000 6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300 7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940 8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000 9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500 10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830 11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830 12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080 13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000 14 O4 Oh S 12 7 6 1.456 111.691 177.10 -0.7450 15 H4O Ho E 14 12 7 0.987 106.847 -27.71 0.4220 16 C3 Cg M 12 7 6 1.552 112.015 52.87 0.2860 17 H3 H1 E 16 12 7 1.091 109.935 64.98 0.0000 18 C2 Cg B 16 12 7 1.545 109.635 -56.37 0.2890 19 H2 H1 E 18 16 12 1.091 107.746 -60.80 0.0000 20 O2 Oh S 18 16 12 1.455 110.598 -177.09 -0.6800 21 H2O Ho E 20 18 16 0.964 105.470 34.40 0.4220 22 O3 Os M 16 12 7 1.460 108.958 -175.86 -0.5280 LOOP C2 C1 DONE 3VA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890 5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000 6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990 7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000 8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950 9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380 10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250 11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320 12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000 13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000 14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000 15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050 16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760 17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000 18 C4 Cg 3 16 6 4 1.547 111.657 -53.80 0.3260 19 H4 H1 E 18 16 6 1.091 109.161 175.84 0.0000 20 C5 Cg 3 18 16 6 1.548 111.081 55.51 0.1120 21 H5 H1 E 20 18 16 1.091 106.814 64.45 0.0000 22 C6 Cg 3 20 18 16 1.543 114.704 -178.15 0.3620 23 H62 H1 E 22 20 18 1.090 110.167 -176.18 0.0000 24 H61 H1 E 22 20 18 1.090 109.608 -57.43 0.0000 25 O6 Oh S 22 20 18 1.435 111.052 62.92 -0.7110 26 H6O Ho E 25 22 20 0.972 106.687 -28.27 0.4240 27 O5 Os E 20 18 16 1.497 110.914 -51.89 -0.4660 28 O4 Oh S 18 16 6 1.450 108.917 -66.09 -0.7010 29 H4O Ho E 28 18 16 0.968 106.613 -47.88 0.4420 30 O3 Os M 16 6 4 1.462 112.217 -176.56 -0.4470 LOOP O5 C1 DONE 3VB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050 5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000 6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080 7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360 8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000 9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530 10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000 11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000 12 O6 Oh S 9 7 6 1.436 108.896 63.69 -0.7140 13 H6O Ho E 12 9 7 0.962 107.704 -58.75 0.4270 14 C4 Cg M 7 6 4 1.544 110.300 53.58 0.2530 15 H4 H1 E 14 7 6 1.091 109.265 -173.55 0.0000 16 O4 Oh S 14 7 6 1.445 109.653 67.69 -0.6900 17 H4O Ho E 16 14 7 0.968 108.059 -163.84 0.4400 18 C3 Cg M 14 7 6 1.544 111.265 -52.85 0.1520 19 H3 H1 E 18 14 7 1.092 108.104 -62.30 0.0000 20 C2 Cg B 18 14 7 1.558 111.369 56.32 0.5440 21 H2 H1 E 20 18 14 1.091 108.714 61.92 0.0000 22 N2 Ng B 20 18 14 1.481 110.595 -177.69 -0.6860 23 H2N H E 22 20 18 1.005 118.080 75.06 0.2540 24 C2N C B 22 20 18 1.336 122.747 -106.72 0.5860 25 O2N O E 24 22 20 1.227 122.402 0.23 -0.5640 26 CME Cg 3 24 22 20 1.543 116.272 179.61 0.0560 27 H3M Hc E 26 24 22 1.092 110.645 35.56 0.0000 28 H2M Hc E 26 24 22 1.091 109.982 155.53 0.0000 29 H1M Hc E 26 24 22 1.091 109.419 -84.79 0.0000 30 O3 Os M 18 14 7 1.462 108.677 -178.29 -0.4440 LOOP C2 C1 DONE 3WA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621 5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000 6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750 7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000 8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751 9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142 10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909 11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340 12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000 13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000 14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000 15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757 16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520 17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000 18 C4 Cg 3 16 6 4 1.550 112.400 -53.90 0.3213 19 H4 H1 E 18 16 6 1.091 108.333 -69.37 0.0000 20 C5 Cg 3 18 16 6 1.547 112.664 51.61 0.2421 21 H5 H1 E 20 18 16 1.092 107.873 70.23 0.0000 22 C6 Cg 3 20 18 16 1.545 113.564 -171.33 0.2995 23 H62 H1 E 22 20 18 1.090 109.575 173.73 0.0000 24 H61 H1 E 22 20 18 1.090 109.924 -68.06 0.0000 25 O6 Oh S 22 20 18 1.443 112.033 52.74 -0.6618 26 H6O Ho E 25 22 20 0.961 109.813 -82.79 0.3959 27 O5 Os E 20 18 16 1.495 111.317 -46.63 -0.5415 28 O4 Oh S 18 16 6 1.458 109.485 172.59 -0.7305 29 H4O Ho E 28 18 16 0.964 111.017 -55.33 0.4424 30 O3 Os M 16 6 4 1.455 110.348 -176.42 -0.4768 LOOP O5 C1 DONE 3WB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870 5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000 6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980 7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210 8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000 9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470 10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000 11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000 12 O6 Oh S 9 7 6 1.442 110.379 57.48 -0.6630 13 H6O Ho E 12 9 7 0.962 108.929 -56.35 0.4130 14 C4 Cg M 7 6 4 1.549 109.860 56.38 0.2770 15 H4 H1 E 14 7 6 1.092 109.334 70.38 0.0000 16 O4 Oh S 14 7 6 1.447 108.932 -170.99 -0.7430 17 H4O Ho E 16 14 7 0.968 107.478 170.69 0.4390 18 C3 Cg M 14 7 6 1.551 111.754 -50.66 0.2170 19 H3 H1 E 18 14 7 1.092 108.749 -66.35 0.0000 20 C2 Cg B 18 14 7 1.550 112.012 52.70 0.2940 21 H2 H1 E 20 18 14 1.092 107.937 -171.40 0.0000 22 N2 Ng B 20 18 14 1.485 111.811 69.61 -0.5580 23 H2N H E 22 20 18 1.007 117.378 -91.94 0.2650 24 C2N C B 22 20 18 1.337 123.528 90.12 0.5850 25 O2N O E 24 22 20 1.229 121.350 -4.57 -0.6000 26 CME Cg 3 24 22 20 1.544 116.722 177.13 0.0560 27 H3M Hc E 26 24 22 1.092 111.211 -15.23 0.0000 28 H2M Hc E 26 24 22 1.091 109.840 -135.47 0.0000 29 H1M Hc E 26 24 22 1.090 109.199 104.92 0.0000 30 O3 Os M 18 14 7 1.458 109.433 176.28 -0.4390 LOOP C2 C1 DONE 3XA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820 5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000 6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970 7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000 8 O2 Oh S 6 4 3 1.464 111.006 90.26 -0.6560 9 H2O Ho E 8 6 4 0.967 109.241 -39.05 0.4090 10 C3 Cg M 6 4 3 1.543 111.214 -33.26 0.3590 11 H3 H1 E 10 6 4 1.092 109.408 69.19 0.0000 12 C4 Cg 3 10 6 4 1.547 112.192 -52.80 0.2470 13 H4 H1 E 12 10 6 1.091 109.623 -66.19 0.0000 14 C5 Cg 3 12 10 6 1.539 110.634 53.97 0.3350 15 H5E H1 E 14 12 10 1.090 109.984 -172.58 0.0000 16 H5A H1 E 14 12 10 1.091 110.140 68.68 0.0000 17 O5 Os E 14 12 10 1.489 111.025 -51.97 -0.5880 18 O4 Oh S 12 10 6 1.453 110.240 174.10 -0.7200 19 H4O Ho E 18 12 10 0.967 107.931 54.72 0.4200 20 O3 Os M 10 6 4 1.451 108.116 -172.55 -0.4850 LOOP O5 C1 DONE 3XB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480 5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000 6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470 7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030 8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000 9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000 10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860 11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000 12 O4 Oh S 10 7 6 1.447 108.470 -174.60 -0.7230 13 H4O Ho E 12 10 7 0.966 107.383 173.28 0.4300 14 C3 Cg M 10 7 6 1.546 111.571 -54.26 0.2280 15 H3 H1 E 14 10 7 1.092 109.010 -67.31 0.0000 16 C2 Cg B 14 10 7 1.547 111.370 53.00 0.4250 17 H2 H1 E 16 14 10 1.092 109.571 69.62 0.0000 18 O2 Oh S 16 14 10 1.452 108.733 -171.44 -0.6990 19 H2O Ho E 18 16 14 0.965 106.939 170.97 0.3980 20 O3 Os M 14 10 7 1.458 108.945 174.50 -0.4490 LOOP C2 C1 DONE 3XD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280 5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000 6 C2 Cg M 4 3 2 1.636 88.449 18.82 0.2480 7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000 8 O2 Oh S 6 4 3 1.455 113.910 66.16 -0.6570 9 H2O Ho E 8 6 4 0.967 107.830 -15.92 0.4070 10 C3 Cg M 6 4 3 1.634 106.860 -57.15 0.3020 11 H3 H1 E 10 6 4 1.091 108.695 100.33 0.0000 12 C4 Cg 3 10 6 4 1.626 107.473 -15.89 0.2370 13 H4 H1 E 12 10 6 1.090 108.401 126.25 0.0000 14 C5 Cg 3 12 10 6 1.543 116.861 -110.85 0.2800 15 H52 H1 E 14 12 10 1.090 109.111 -166.53 0.0000 16 H51 H1 E 14 12 10 1.090 111.083 -47.72 0.0000 17 O5 Oh S 14 12 10 1.441 110.629 74.51 -0.6780 18 H5O Ho E 17 14 12 0.962 107.911 53.44 0.4220 19 O4 Os E 12 10 6 1.593 104.822 10.20 -0.5070 20 O3 Os M 10 6 4 1.447 111.050 -140.89 -0.4820 LOOP O4 C1 DONE 3XU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880 5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000 6 O4 Os M 4 3 2 1.557 141.976 -176.87 -0.4270 7 C4 Cg M 6 4 3 1.585 113.491 160.80 0.1420 8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000 9 C5 Cg 3 7 6 4 1.541 109.761 121.74 0.2850 10 H52 H1 E 9 7 6 1.091 110.415 -59.53 0.0000 11 H51 H1 E 9 7 6 1.090 109.960 -179.16 0.0000 12 O5 Oh S 9 7 6 1.439 110.113 61.06 -0.6350 13 H5O Ho E 12 9 7 0.959 109.575 48.10 0.3960 14 C3 Cg M 7 6 4 1.626 104.984 -3.27 0.2240 15 H3 H1 E 14 7 6 1.091 107.946 -110.07 0.0000 16 C2 Cg B 14 7 6 1.636 107.660 8.09 0.3820 17 H2 H1 E 16 14 7 1.091 109.319 108.55 0.0000 18 O2 Oh S 16 14 7 1.454 110.186 -132.48 -0.7310 19 H2O Ho E 18 16 14 0.963 109.130 -172.15 0.4200 20 O3 Os M 14 7 6 1.450 112.399 130.64 -0.4440 LOOP C2 C1 DONE 3YA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680 5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000 6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450 7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000 8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880 11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630 12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000 13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000 14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000 15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790 16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 18 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220 19 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000 20 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460 21 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000 22 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280 23 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000 24 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000 25 O6 Oh S 22 20 18 1.444 111.701 58.39 -0.6880 26 H6O Ho E 25 22 20 0.960 109.460 179.56 0.4210 27 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680 28 O4 Oh S 18 16 6 1.448 107.905 171.55 -0.7330 29 H4O Ho E 28 18 16 0.967 106.060 48.68 0.4490 30 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110 LOOP O5 C1 DONE 3YB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870 5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000 6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330 7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080 8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000 9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890 10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000 11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000 12 O6 Oh S 9 7 6 1.439 109.712 58.17 -0.6890 13 H6O Ho E 12 9 7 0.961 108.379 -54.80 0.4240 14 C4 Cg M 7 6 4 1.542 108.679 57.57 0.3020 15 H4 H1 E 14 7 6 1.092 109.552 66.23 0.0000 16 O4 Oh S 14 7 6 1.444 108.611 -175.00 -0.7160 17 H4O Ho E 16 14 7 0.967 106.789 174.20 0.4360 18 C3 Cg M 14 7 6 1.547 111.743 -55.34 0.1800 19 H3 H1 E 18 14 7 1.092 108.855 -63.61 0.0000 20 C2 Cg B 18 14 7 1.555 110.847 55.82 0.4800 21 H2 H1 E 20 18 14 1.092 108.016 63.51 0.0000 22 N2 Ng B 20 18 14 1.484 110.897 -176.40 -0.7220 23 H2N H E 22 20 18 1.006 117.592 78.54 0.3000 24 C2N C B 22 20 18 1.336 123.143 -111.93 0.6480 25 O2N O E 24 22 20 1.226 122.116 6.61 -0.5760 26 CME Cg 3 24 22 20 1.542 116.434 -175.43 0.0340 27 H3M Hc E 26 24 22 1.092 110.630 37.74 0.0000 28 H2M Hc E 26 24 22 1.091 110.076 157.79 0.0000 29 H1M Hc E 26 24 22 1.091 109.335 -82.58 0.0000 30 O3 Os M 18 14 7 1.462 108.350 179.31 -0.4520 LOOP C2 C1 DONE 3ZA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980 5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000 6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260 7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000 8 O2 Oh S 6 4 3 1.467 110.139 -42.45 -0.7320 9 H2O Ho E 8 6 4 0.965 107.076 -40.93 0.4060 10 C3 Cg M 6 4 3 1.547 112.398 -166.09 0.3000 11 H3 H1 E 10 6 4 1.092 108.680 71.61 0.0000 12 C4 Cg 3 10 6 4 1.555 112.948 -49.44 0.1930 13 H4 H1 E 12 10 6 1.091 109.268 -72.54 0.0000 14 C5 Cg 3 12 10 6 1.550 113.190 48.46 0.1870 15 H5 H1 E 14 12 10 1.092 106.693 67.16 0.0000 16 C6 C B 14 12 10 1.597 111.674 -179.86 0.7980 17 O6A O2 E 16 14 12 1.259 117.589 -37.92 -0.7870 18 O6B O2 E 16 14 12 1.252 118.424 145.06 -0.7870 19 O5 Os E 14 12 10 1.515 110.155 -47.11 -0.5440 20 O4 Oh S 12 10 6 1.452 109.657 168.36 -0.6820 21 H4O Ho E 20 12 10 0.983 105.869 -171.10 0.4220 22 O3 Os M 10 6 4 1.458 107.208 -171.22 -0.4980 LOOP O5 C1 DONE 3ZB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510 5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000 6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130 7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750 8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000 9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930 10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180 11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180 12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670 13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000 14 O4 Oh S 12 7 6 1.449 108.907 -172.84 -0.7330 15 H4O Ho E 14 12 7 0.987 105.292 -42.75 0.4290 16 C3 Cg M 12 7 6 1.552 113.280 -51.87 0.2660 17 H3 H1 E 16 12 7 1.092 108.760 -69.98 0.0000 18 C2 Cg B 16 12 7 1.551 112.291 50.40 0.4110 19 H2 H1 E 18 16 12 1.092 109.200 71.99 0.0000 20 O2 Oh S 18 16 12 1.458 111.055 -168.01 -0.7400 21 H2O Ho E 20 18 16 0.962 106.072 172.93 0.4220 22 O3 Os M 16 12 7 1.459 107.412 172.72 -0.4920 LOOP C2 C1 DONE 3aA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480 5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000 6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640 7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790 8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000 9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000 10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450 11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000 12 O4 Oh S 10 7 6 1.437 109.023 178.50 -0.7480 13 H4O Ho E 12 10 7 0.960 109.412 -63.47 0.4340 14 C3 Cg M 10 7 6 1.543 112.944 55.64 0.3350 15 H3 H1 E 14 10 7 1.091 109.892 -174.01 0.0000 16 C2 Cg B 14 10 7 1.543 111.532 -51.47 0.2680 17 H2 H1 E 16 14 10 1.092 109.910 169.41 0.0000 18 O2 Oh S 16 14 10 1.437 107.286 -74.11 -0.7350 19 H2O Ho E 18 16 14 0.960 109.480 -58.08 0.4430 20 O3 Os M 14 10 7 1.441 110.011 67.03 -0.5050 LOOP C2 C1 DONE 3aB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790 5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000 6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000 7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000 8 O2 Oh S 6 4 3 1.460 111.691 -105.49 -0.7000 9 H2O Ho E 8 6 4 0.965 107.206 46.97 0.4180 10 C3 Cg M 6 4 3 1.543 109.402 134.96 0.2970 11 H3 H1 E 10 6 4 1.091 109.527 174.23 0.0000 12 C4 Cg 3 10 6 4 1.551 111.469 53.21 0.2240 13 H4 H1 E 12 10 6 1.091 108.923 64.26 0.0000 14 C5 Cg 3 12 10 6 1.546 111.087 -54.81 0.3560 15 H5A H1 E 14 12 10 1.091 110.570 -66.53 0.0000 16 H5E H1 E 14 12 10 1.090 109.958 174.33 0.0000 17 O5 Os E 14 12 10 1.485 110.184 54.27 -0.5290 18 O4 Oh S 12 10 6 1.458 110.429 -177.71 -0.7300 19 H4O Ho E 18 12 10 0.964 110.010 -85.04 0.4400 20 O3 Os M 10 6 4 1.454 108.942 -67.85 -0.4550 LOOP O5 C1 DONE 3aD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680 5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000 6 O4 Os M 4 3 2 1.561 59.259 -79.14 -0.4530 7 C4 Cg M 6 4 3 1.585 113.130 -121.92 0.1470 8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000 9 C5 Cg 3 7 6 4 1.531 111.011 -129.51 0.3380 10 H51 H1 E 9 7 6 1.090 110.161 -65.64 0.0000 11 H52 H1 E 9 7 6 1.090 110.286 174.71 0.0000 12 O5 Oh S 9 7 6 1.438 109.271 54.27 -0.6960 13 H5O Ho E 12 9 7 0.963 107.879 -70.16 0.3990 14 C3 Cg M 7 6 4 1.617 105.385 -6.71 0.3700 15 H3 H1 E 14 7 6 1.091 110.266 -112.89 0.0000 16 C2 Cg B 14 7 6 1.638 107.830 6.88 0.2780 17 H2 H1 E 16 14 7 1.092 109.588 114.25 0.0000 18 O2 Oh S 16 14 7 1.459 110.296 -126.81 -0.6880 19 H2O Ho E 18 16 14 0.962 111.196 67.05 0.4300 20 O3 Os M 14 7 6 1.445 109.680 127.75 -0.4930 LOOP C2 C1 DONE 3aU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770 5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000 6 C2 Cg M 4 3 2 1.636 130.777 -176.24 0.3280 7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000 8 O2 Oh S 6 4 3 1.456 114.449 2.64 -0.7210 9 H2O Ho E 8 6 4 0.967 108.079 -13.83 0.4170 10 C3 Cg M 6 4 3 1.636 107.243 -120.25 0.2150 11 H3 H1 E 10 6 4 1.091 109.548 106.72 0.0000 12 C4 Cg 3 10 6 4 1.623 107.636 -12.21 0.3270 13 H4 H1 E 12 10 6 1.091 110.021 -108.06 0.0000 14 C5 Cg 3 12 10 6 1.536 113.561 128.49 0.2270 15 H51 H1 E 14 12 10 1.090 110.273 60.89 0.0000 16 H52 H1 E 14 12 10 1.090 110.003 -58.63 0.0000 17 O5 Oh S 14 12 10 1.440 109.976 -178.69 -0.6500 18 H5O Ho E 17 14 12 0.963 109.100 48.75 0.3970 19 O4 Os E 12 10 6 1.592 104.988 8.35 -0.5320 20 O3 Os M 10 6 4 1.449 110.684 -133.44 -0.4850 LOOP O4 C1 DONE 3bA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300 5 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280 6 H11 H1 E 5 4 3 1.090 109.813 -63.29 0.0000 7 H12 H1 E 5 4 3 1.091 110.098 55.13 0.0000 8 O1 Oh S 5 4 3 1.443 112.003 175.62 -0.6780 9 H1O Ho E 8 5 4 0.961 107.457 -73.22 0.3990 10 O6 Os M 4 3 2 1.483 117.931 41.66 -0.5070 11 C6 Cg M 10 4 3 1.491 117.309 -140.69 0.3410 12 H6A H1 E 11 10 4 1.091 108.839 69.58 0.0000 13 H6E H1 E 11 10 4 1.090 108.907 -173.08 0.0000 14 C5 Cg M 11 10 4 1.544 111.103 -51.77 0.2240 15 H5 H1 E 14 11 10 1.091 108.357 -70.02 0.0000 16 O5 Oh S 14 11 10 1.455 108.467 172.51 -0.6900 17 H5O Ho E 16 14 11 0.963 109.307 159.42 0.4290 18 C4 Cg M 14 11 10 1.550 111.673 50.56 0.3350 19 H4 H1 E 18 14 11 1.092 110.207 65.56 0.0000 20 O4 Oh S 18 14 11 1.461 109.228 -175.33 -0.7240 21 H4O Ho E 20 18 14 0.964 108.580 -89.49 0.4210 22 C3 Cg M 18 14 11 1.548 109.394 -55.39 0.3720 23 H3 H1 E 22 18 14 1.092 107.364 -59.65 0.0000 24 O3 Os M 22 18 14 1.456 111.878 -176.69 -0.4800 LOOP C3 C2 DONE 3bB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270 5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810 6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000 7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000 8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260 9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950 10 C3 Cg M 4 3 2 1.564 137.751 -159.39 0.4640 11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000 12 C4 Cg 3 10 4 3 1.550 112.585 140.12 0.1080 13 H4 H1 E 12 10 4 1.092 109.044 -68.01 0.0000 14 C5 Cg 3 12 10 4 1.545 110.670 52.19 0.3400 15 H5 H1 E 14 12 10 1.091 109.543 69.26 0.0000 16 C6 Cg 3 14 12 10 1.543 112.662 -52.18 0.3110 17 H6A H1 E 16 14 12 1.091 110.545 -68.04 0.0000 18 H6E H1 E 16 14 12 1.090 110.160 172.58 0.0000 19 O6 Os E 16 14 12 1.485 109.751 52.43 -0.4770 20 O5 Oh S 14 12 10 1.444 107.942 -172.32 -0.7200 21 H5O Ho E 20 14 12 0.966 106.322 -48.08 0.4290 22 O4 Oh S 12 10 4 1.460 110.433 173.08 -0.6750 23 H4O Ho E 22 12 10 0.968 108.634 54.62 0.4350 24 O3 Os M 10 4 3 1.453 110.350 18.53 -0.4920 LOOP O6 C2 DONE 3bC INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.219 114.902 -133.41 0.3130 5 H1 H2 E 4 3 2 1.091 63.376 -66.80 0.0000 6 O5 Os M 4 3 2 1.462 111.147 34.64 -0.4890 7 C5 Cg M 6 4 3 1.484 116.049 -131.39 0.1410 8 H5 H1 E 7 6 4 1.092 107.980 64.45 0.0000 9 C6 Cg 3 7 6 4 1.529 106.426 -179.26 0.0540 10 H61 H1 E 9 7 6 1.090 110.595 -174.86 0.0000 11 H62 H1 E 9 7 6 1.091 110.671 64.80 0.0000 12 H63 H1 E 9 7 6 1.090 110.350 -55.32 0.0000 13 C4 Cg M 7 6 4 1.553 110.731 -54.91 0.5790 14 H4 H1 E 13 7 6 1.092 108.444 -68.36 0.0000 15 N4 Ng B 13 7 6 1.482 109.943 171.30 -0.8840 16 H4N H E 15 13 7 1.005 118.374 -75.81 0.3270 17 C4N C B 15 13 7 1.334 122.717 99.60 0.7200 18 O4N O E 17 15 13 1.221 121.166 0.20 -0.6220 19 C4M Cg 3 17 15 13 1.542 116.539 -179.84 0.0380 20 H41 Hc E 19 17 15 1.091 110.231 176.59 0.0000 21 H42 Hc E 19 17 15 1.091 109.889 56.66 0.0000 22 H43 Hc E 19 17 15 1.091 109.727 -63.50 0.0000 23 C3 Cg M 13 7 6 1.557 111.334 49.92 0.1960 24 H3 H1 E 23 13 7 1.092 107.756 66.07 0.0000 25 C2 Cg B 23 13 7 1.553 111.958 -52.25 0.3540 26 H2 H1 E 25 23 13 1.092 108.181 -62.79 0.0000 27 N2 Ng B 25 23 13 1.482 111.059 177.26 -0.6460 28 H2N H E 27 25 23 1.005 117.749 -74.11 0.2870 29 C2N C B 27 25 23 1.339 123.653 106.02 0.5290 30 O2N O E 29 27 25 1.228 122.945 2.35 -0.5160 31 C2M Cg 3 29 27 25 1.543 115.754 -177.65 0.0780 32 H21 Hc E 31 29 27 1.091 110.260 171.03 0.0000 33 H22 Hc E 31 29 27 1.091 110.049 51.17 0.0000 34 H23 Hc E 31 29 27 1.091 109.662 -69.03 0.0000 35 O3 Os M 23 13 7 1.467 111.072 -176.91 -0.4590 LOOP C2 C1 DONE 3bD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410 5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130 6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000 7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000 8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680 9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140 10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520 11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710 12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000 13 C6 Cg 3 11 10 4 1.543 109.502 -125.08 0.2810 14 H61 H1 E 13 11 10 1.090 110.249 169.67 0.0000 15 H62 H1 E 13 11 10 1.091 109.980 50.42 0.0000 16 O6 Oh S 13 11 10 1.443 110.886 -70.57 -0.6790 17 H6O Ho E 16 13 11 0.959 110.164 -69.40 0.4110 18 C4 Cg M 11 10 4 1.626 104.732 -0.82 0.2250 19 H4 H1 E 18 11 10 1.091 107.421 106.22 0.0000 20 O4 Oh S 18 11 10 1.457 113.168 -134.63 -0.7100 21 H4O Ho E 20 18 11 0.965 109.577 -164.20 0.4350 22 C3 Cg M 18 11 10 1.636 107.413 -10.45 0.4400 23 H3 H1 E 22 18 11 1.090 107.628 -98.64 0.0000 24 O3 Os M 22 18 11 1.453 110.696 144.44 -0.5220 LOOP C3 C2 DONE 3bU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470 5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990 6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000 7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000 8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270 9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820 10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820 11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000 12 C4 Cg 3 10 4 3 1.637 107.249 157.15 0.2830 13 H4 H1 E 12 10 4 1.091 108.865 -102.82 0.0000 14 C5 Cg 3 12 10 4 1.624 107.577 13.45 0.2100 15 H5 H1 E 14 12 10 1.091 108.969 -127.62 0.0000 16 C6 Cg 3 14 12 10 1.541 114.994 109.54 0.3320 17 H61 H1 E 16 14 12 1.090 109.861 59.82 0.0000 18 H62 H1 E 16 14 12 1.090 110.302 -59.54 0.0000 19 O6 Oh S 16 14 12 1.442 110.695 179.56 -0.7010 20 H6O Ho E 19 16 14 0.959 110.169 -52.94 0.4090 21 O5 Os E 14 12 10 1.582 104.801 -11.31 -0.3850 22 O4 Oh S 12 10 4 1.453 111.864 137.73 -0.7550 23 H4O Ho E 22 12 10 0.964 109.402 67.17 0.4340 24 O3 Os M 10 4 3 1.455 113.678 34.22 -0.5100 LOOP O5 C2 DONE 3cA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450 5 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860 6 H11 H1 E 5 4 3 1.091 110.132 -50.25 0.0000 7 H12 H1 E 5 4 3 1.091 109.446 67.92 0.0000 8 O1 Oh S 5 4 3 1.446 112.801 -171.35 -0.6960 9 H1O Ho E 8 5 4 0.968 106.626 -39.29 0.4020 10 O6 Os M 4 3 2 1.483 117.808 35.58 -0.6200 11 C6 Cg M 10 4 3 1.483 118.572 -140.03 0.4370 12 H6A H1 E 11 10 4 1.091 109.541 67.42 0.0000 13 H6E H1 E 11 10 4 1.090 108.752 -174.83 0.0000 14 C5 Cg M 11 10 4 1.538 109.646 -54.60 0.1950 15 H5 H1 E 14 11 10 1.091 108.701 -59.59 0.0000 16 O5 Oh S 14 11 10 1.462 111.474 -178.00 -0.7090 17 H5O Ho E 16 14 11 0.964 110.741 83.12 0.4150 18 C4 Cg M 14 11 10 1.544 109.577 58.96 0.3670 19 H4 H1 E 18 14 11 1.091 108.427 -177.56 0.0000 20 O4 Oh S 18 14 11 1.450 110.035 65.74 -0.7200 21 H4O Ho E 20 18 14 0.965 107.347 50.59 0.3940 22 C3 Cg M 18 14 11 1.551 112.343 -57.29 0.2470 23 H3 H1 E 22 18 14 1.092 108.943 168.11 0.0000 24 O3 Os M 22 18 14 1.466 107.388 -76.78 -0.4430 LOOP C3 C2 DONE 3cB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440 5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970 6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000 7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000 8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690 9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010 10 C3 Cg M 4 3 2 1.569 136.938 -155.77 0.3170 11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000 12 C4 Cg 3 10 4 3 1.551 113.143 142.19 0.3440 13 H4 H1 E 12 10 4 1.091 109.341 168.38 0.0000 14 C5 Cg 3 12 10 4 1.549 111.995 47.93 0.1950 15 H5 H1 E 14 12 10 1.091 108.324 67.05 0.0000 16 C6 Cg 3 14 12 10 1.539 112.024 -51.70 0.3650 17 H6A H1 E 16 14 12 1.091 110.698 -66.37 0.0000 18 H6E H1 E 16 14 12 1.090 110.083 174.22 0.0000 19 O6 Os E 16 14 12 1.482 109.460 54.46 -0.4600 20 O5 Oh S 14 12 10 1.457 110.756 -175.28 -0.6840 21 H5O Ho E 20 14 12 0.965 109.084 44.29 0.4150 22 O4 Oh S 12 10 4 1.459 109.536 -74.38 -0.6980 23 H4O Ho E 22 12 10 0.964 108.929 -91.80 0.4170 24 O3 Os M 10 4 3 1.453 110.172 -98.32 -0.4840 LOOP O6 C2 DONE 3cD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840 5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700 6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000 7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000 8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880 9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140 10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980 11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090 12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000 13 C6 Cg 3 11 10 4 1.538 110.489 -119.98 0.2650 14 H61 H1 E 13 11 10 1.090 109.956 165.98 0.0000 15 H62 H1 E 13 11 10 1.091 109.952 47.12 0.0000 16 O6 Oh S 13 11 10 1.442 111.246 -74.00 -0.6640 17 H6O Ho E 16 13 11 0.960 110.855 -67.48 0.4120 18 C4 Cg M 11 10 4 1.621 104.926 0.33 0.3320 19 H4 H1 E 18 11 10 1.091 111.196 -131.00 0.0000 20 O4 Oh S 18 11 10 1.453 109.530 109.63 -0.7840 21 H4O Ho E 20 18 11 0.965 110.375 -68.04 0.4440 22 C3 Cg M 18 11 10 1.638 107.987 -8.85 0.2820 23 H3 H1 E 22 18 11 1.091 111.251 134.95 0.0000 24 O3 Os M 22 18 11 1.460 108.216 -106.61 -0.4780 LOOP C3 C2 DONE 3cU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390 5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870 6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000 7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000 8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240 9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010 10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330 11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000 12 C4 Cg 3 10 4 3 1.624 107.103 164.76 0.2930 13 H4 H1 E 12 10 4 1.092 112.868 136.79 0.0000 14 C5 Cg 3 12 10 4 1.622 107.882 12.29 0.3100 15 H5 H1 E 14 12 10 1.092 110.981 -127.12 0.0000 16 C6 Cg 3 14 12 10 1.529 112.711 109.36 0.2720 17 H61 H1 E 16 14 12 1.090 110.315 59.90 0.0000 18 H62 H1 E 16 14 12 1.091 110.618 -60.32 0.0000 19 O6 Oh S 16 14 12 1.433 108.667 179.51 -0.6520 20 H6O Ho E 19 16 14 0.960 109.494 -59.32 0.3970 21 O5 Os E 14 12 10 1.577 105.503 -8.77 -0.4490 22 O4 Oh S 12 10 4 1.434 107.032 -103.41 -0.7630 23 H4O Ho E 22 12 10 0.960 109.480 178.44 0.4310 24 O3 Os M 10 4 3 1.439 111.311 -80.89 -0.4750 LOOP O5 C2 DONE 3dA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980 5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000 6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870 7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750 8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000 9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000 10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510 11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000 12 O4 Oh S 10 7 6 1.447 108.472 171.92 -0.7110 13 H4O Ho E 12 10 7 0.966 106.152 -168.99 0.4220 14 C3 Cg M 10 7 6 1.545 110.247 52.70 0.1840 15 H3 H1 E 14 10 7 1.091 108.583 60.91 0.0000 16 C2 Cg B 14 10 7 1.549 111.008 -57.45 0.2460 17 H2 H1 E 16 14 10 1.091 109.256 175.96 0.0000 18 O2 Oh S 16 14 10 1.458 110.247 -65.62 -0.6780 19 H2O Ho E 18 16 14 0.962 110.757 -168.88 0.4320 20 O3 Os M 14 10 7 1.459 110.859 178.21 -0.4320 LOOP C2 C1 DONE 3dB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480 5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000 6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260 7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000 8 O2 Oh S 6 4 3 1.446 108.761 21.88 -0.6450 9 H2O Ho E 8 6 4 0.960 109.425 59.50 0.4150 10 C3 Cg M 6 4 3 1.543 109.102 -97.36 0.2010 11 H3 H1 E 10 6 4 1.092 108.078 -65.99 0.0000 12 C4 Cg 3 10 6 4 1.543 112.432 54.46 0.3350 13 H4 H1 E 12 10 6 1.091 110.326 70.31 0.0000 14 C5 Cg 3 12 10 6 1.539 111.797 -51.79 0.2750 15 H5A H1 E 14 12 10 1.092 110.541 -69.74 0.0000 16 H5E H1 E 14 12 10 1.090 110.214 170.80 0.0000 17 O5 Os E 14 12 10 1.480 110.071 50.34 -0.5190 18 O4 Oh S 12 10 6 1.436 108.765 -169.83 -0.7090 19 H4O Ho E 18 12 10 0.960 109.449 -59.99 0.4360 20 O3 Os M 10 6 4 1.440 109.342 176.73 -0.4630 LOOP O5 C1 DONE 3dD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800 5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000 6 O4 Os M 4 3 2 1.562 69.561 -75.86 -0.4230 7 C4 Cg M 6 4 3 1.588 112.912 -129.70 0.1890 8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000 9 C5 Cg 3 7 6 4 1.537 110.486 -136.68 0.3050 10 H51 H1 E 9 7 6 1.090 110.600 57.42 0.0000 11 H52 H1 E 9 7 6 1.090 110.349 177.71 0.0000 12 O5 Oh S 9 7 6 1.438 108.908 -62.47 -0.6970 13 H5O Ho E 12 9 7 0.962 108.141 56.44 0.4140 14 C3 Cg M 7 6 4 1.624 104.960 -9.27 0.2980 15 H3 H1 E 14 7 6 1.090 111.418 136.70 0.0000 16 C2 Cg B 14 7 6 1.641 106.916 15.19 0.2290 17 H2 H1 E 16 14 7 1.091 107.286 100.85 0.0000 18 O2 Oh S 16 14 7 1.459 112.998 -140.55 -0.6510 19 H2O Ho E 18 16 14 0.964 109.258 -171.53 0.4110 20 O3 Os M 14 7 6 1.446 109.315 -102.58 -0.4550 LOOP C2 C1 DONE 3dU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360 5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000 6 C2 Cg M 4 3 2 1.640 133.355 -123.59 0.2840 7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000 8 O2 Oh S 6 4 3 1.464 111.148 -105.13 -0.6800 9 H2O Ho E 8 6 4 0.969 107.470 22.02 0.4070 10 C3 Cg M 6 4 3 1.642 106.290 136.04 0.3000 11 H3 H1 E 10 6 4 1.091 107.886 -101.19 0.0000 12 C4 Cg 3 10 6 4 1.620 107.806 14.92 0.1350 13 H4 H1 E 12 10 6 1.091 108.974 -127.93 0.0000 14 C5 Cg 3 12 10 6 1.542 114.725 109.52 0.3730 15 H51 H1 E 14 12 10 1.090 109.887 61.57 0.0000 16 H52 H1 E 14 12 10 1.091 110.456 -58.00 0.0000 17 O5 Oh S 14 12 10 1.439 110.322 -178.69 -0.7250 18 H5O Ho E 17 14 12 0.959 109.321 -36.11 0.4180 19 O4 Os E 12 10 6 1.588 104.668 -11.75 -0.5170 20 O3 Os M 10 6 4 1.446 112.188 139.89 -0.4310 LOOP O4 C1 DONE 3eA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800 5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000 6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870 7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740 8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000 9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590 10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000 11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000 12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630 13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060 14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610 15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000 16 O4 Oh S 14 7 6 1.439 109.886 177.28 -0.7210 17 H4O Ho E 16 14 7 0.960 109.412 -63.34 0.4150 18 C3 Cg M 14 7 6 1.544 113.133 54.81 0.3280 19 H3 H1 E 18 14 7 1.091 109.843 -174.05 0.0000 20 C2 Cg B 18 14 7 1.541 111.809 -51.50 0.1790 21 H2 H1 E 20 18 14 1.092 109.967 169.74 0.0000 22 O2 Oh S 20 18 14 1.437 107.327 -73.67 -0.6900 23 H2O Ho E 22 20 18 0.960 109.486 -178.36 0.4470 24 O3 Os M 18 14 7 1.442 110.012 67.08 -0.4880 LOOP C2 C1 DONE 3eB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880 5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000 6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840 7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000 8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970 9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320 10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150 11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000 12 C4 Cg 3 10 6 4 1.554 111.264 55.47 0.3200 13 H4 H1 E 12 10 6 1.091 108.716 63.72 0.0000 14 C5 Cg 3 12 10 6 1.549 111.196 -55.77 0.2570 15 H5 H1 E 14 12 10 1.092 109.111 -65.44 0.0000 16 C6 Cg 3 14 12 10 1.541 112.018 174.42 0.2780 17 H61 H1 E 16 14 12 1.090 110.614 60.34 0.0000 18 H62 H1 E 16 14 12 1.091 110.136 -59.38 0.0000 19 O6 Oh S 16 14 12 1.439 109.977 -179.42 -0.6770 20 H6O Ho E 19 16 14 0.962 108.042 50.79 0.4080 21 O5 Os E 14 12 10 1.501 109.730 53.07 -0.5320 22 O4 Oh S 12 10 6 1.457 110.079 -178.65 -0.7240 23 H4O Ho E 22 12 10 0.964 110.039 -78.83 0.4200 24 O3 Os M 10 6 4 1.454 108.210 -66.23 -0.4720 LOOP O5 C1 DONE 3fA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990 5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000 6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940 7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870 8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000 9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650 10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000 11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000 12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000 13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630 14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000 15 O4 Oh S 13 7 6 1.452 110.366 -71.52 -0.7390 16 H4O Ho E 15 13 7 0.966 107.152 175.93 0.4470 17 C3 Cg M 13 7 6 1.549 111.442 50.00 0.2280 18 H3 H1 E 17 13 7 1.091 108.535 63.68 0.0000 19 C2 Cg B 17 13 7 1.550 109.944 -55.77 0.4560 20 H2 H1 E 19 17 13 1.091 109.004 -59.37 0.0000 21 O2 Oh S 19 17 13 1.463 111.178 -176.89 -0.8040 22 H2O Ho E 21 19 17 0.961 108.560 80.99 0.4530 23 O3 Os M 17 13 7 1.464 109.243 -179.40 -0.4610 LOOP C2 C1 DONE 3fB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180 5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000 6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460 7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000 8 O2 Oh S 6 4 3 1.439 107.580 32.59 -0.7650 9 H2O Ho E 8 6 4 0.960 109.418 -59.18 0.4400 10 C3 Cg M 6 4 3 1.542 111.933 150.88 0.2550 11 H3 H1 E 10 6 4 1.092 108.986 -69.25 0.0000 12 C4 Cg 3 10 6 4 1.542 112.898 50.54 0.2290 13 H4 H1 E 12 10 6 1.091 109.948 -175.33 0.0000 14 C5 Cg 3 12 10 6 1.543 109.625 -54.44 0.1060 15 H5 H1 E 14 12 10 1.092 108.258 -61.07 0.0000 16 C6 Cg 3 14 12 10 1.531 115.663 178.40 0.0920 17 H61 Hc E 16 14 12 1.091 111.160 177.14 0.0000 18 H62 Hc E 16 14 12 1.091 112.070 -62.71 0.0000 19 H63 Hc E 16 14 12 1.091 111.199 57.72 0.0000 20 O5 Os E 14 12 10 1.481 108.818 56.43 -0.4420 21 O4 Oh S 12 10 6 1.445 109.758 64.85 -0.6590 22 H4O Ho E 21 12 10 0.960 109.451 -179.30 0.4230 23 O3 Os M 10 6 4 1.440 109.807 172.76 -0.4430 LOOP O5 C1 DONE 3gA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090 5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000 6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740 7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830 8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000 9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760 10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000 11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000 12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820 13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180 14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540 15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000 16 O4 Oh S 14 7 6 1.451 108.995 172.71 -0.7100 17 H4O Ho E 16 14 7 0.968 107.227 -172.23 0.4360 18 C3 Cg M 14 7 6 1.547 111.254 52.54 0.2860 19 H3 H1 E 18 14 7 1.092 109.616 66.99 0.0000 20 C2 Cg B 18 14 7 1.543 112.114 -54.50 0.2460 21 H2 H1 E 20 18 14 1.091 108.373 -65.99 0.0000 22 O2 Oh S 20 18 14 1.465 110.086 176.46 -0.7130 23 H2O Ho E 22 20 18 0.967 109.170 -83.89 0.4370 24 O3 Os M 18 14 7 1.452 108.604 -174.42 -0.4660 LOOP C2 C1 DONE 3gB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840 5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000 6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100 7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000 8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180 9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370 10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840 11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000 12 C4 Cg 3 10 6 4 1.548 112.113 51.91 0.2760 13 H4 H1 E 12 10 6 1.092 109.378 67.39 0.0000 14 C5 Cg 3 12 10 6 1.543 111.306 -53.55 0.2250 15 H5 H1 E 14 12 10 1.092 109.126 -64.00 0.0000 16 C6 Cg 3 14 12 10 1.541 112.515 175.39 0.2820 17 H61 H1 E 16 14 12 1.090 110.609 61.43 0.0000 18 H62 H1 E 16 14 12 1.091 110.212 -58.37 0.0000 19 O6 Oh S 16 14 12 1.440 109.810 -178.39 -0.6880 20 H6O Ho E 19 16 14 0.962 108.265 53.10 0.4240 21 O5 Os E 14 12 10 1.495 108.909 54.04 -0.4710 22 O4 Oh S 12 10 6 1.448 109.104 -173.75 -0.7140 23 H4O Ho E 22 12 10 0.967 107.435 -50.50 0.4400 24 O3 Os M 10 6 4 1.454 109.219 172.60 -0.4710 LOOP O5 C1 DONE 3hA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940 5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000 6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610 7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790 8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000 9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230 10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000 11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000 12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000 13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870 14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000 15 O4 Oh S 13 7 6 1.456 109.491 172.11 -0.6440 16 H4O Ho E 15 13 7 0.963 110.183 73.83 0.4050 17 C3 Cg M 13 7 6 1.545 110.317 52.49 0.2360 18 H3 H1 E 17 13 7 1.092 108.830 64.14 0.0000 19 C2 Cg B 17 13 7 1.545 112.380 -55.89 0.2480 20 H2 H1 E 19 17 13 1.091 109.364 174.25 0.0000 21 O2 Oh S 19 17 13 1.456 109.714 -67.50 -0.6700 22 H2O Ho E 21 19 17 0.965 106.818 -49.47 0.4210 23 O3 Os M 17 13 7 1.452 109.689 -178.23 -0.4180 LOOP C2 C1 DONE 3hB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810 5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000 6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430 7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000 8 O2 Oh S 6 4 3 1.446 108.900 -29.97 -0.6730 9 H2O Ho E 8 6 4 0.960 109.408 -178.72 0.4320 10 C3 Cg M 6 4 3 1.542 108.951 -149.17 0.1820 11 H3 H1 E 10 6 4 1.092 107.999 -65.80 0.0000 12 C4 Cg 3 10 6 4 1.543 112.684 54.72 0.3880 13 H4 H1 E 12 10 6 1.092 109.930 71.13 0.0000 14 C5 Cg 3 12 10 6 1.547 112.131 -51.25 0.1720 15 H5 H1 E 14 12 10 1.092 109.230 -69.17 0.0000 16 C6M Cg 3 14 12 10 1.530 114.214 169.13 0.0390 17 H3M Hc E 16 14 12 1.091 111.441 61.33 0.0000 18 H2M Hc E 16 14 12 1.091 111.709 -58.98 0.0000 19 H1M Hc E 16 14 12 1.091 111.297 -179.18 0.0000 20 O5 Os E 14 12 10 1.483 109.717 48.94 -0.4270 21 O4 Oh S 12 10 6 1.438 108.082 -169.72 -0.7280 22 H4O Ho E 21 12 10 0.960 109.440 -179.68 0.4320 23 O3 Os M 10 6 4 1.440 109.222 177.05 -0.4410 LOOP O5 C1 DONE 3jA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140 5 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100 6 H11 H1 E 5 4 3 1.091 110.432 -44.43 0.0000 7 H12 H1 E 5 4 3 1.091 109.780 74.50 0.0000 8 O1 Oh S 5 4 3 1.437 111.258 -165.16 -0.6560 9 H1O Ho E 8 5 4 0.970 105.489 -31.79 0.4050 10 O6 Os M 4 3 2 1.482 115.122 42.33 -0.5040 11 C6 Cg M 10 4 3 1.489 118.583 -143.57 0.3680 12 H6A H1 E 11 10 4 1.091 108.585 71.14 0.0000 13 H6E H1 E 11 10 4 1.090 108.936 -171.67 0.0000 14 C5 Cg M 11 10 4 1.541 111.422 -50.10 0.2730 15 H5 H1 E 14 11 10 1.091 109.320 -69.49 0.0000 16 O5 Oh S 14 11 10 1.453 108.662 172.04 -0.6990 17 H5O Ho E 16 14 11 0.965 108.090 -177.58 0.4190 18 C4 Cg M 14 11 10 1.547 110.532 51.66 0.2810 19 H4 H1 E 18 14 11 1.091 108.842 63.65 0.0000 20 O4 Oh S 18 14 11 1.460 110.450 -178.37 -0.6720 21 H4O Ho E 20 18 14 0.964 109.388 -155.63 0.4130 22 C3 Cg M 18 14 11 1.550 111.417 -56.44 0.2710 23 H3 H1 E 22 18 14 1.091 109.045 176.24 0.0000 24 O3 Os M 22 18 14 1.458 108.952 -66.09 -0.4230 LOOP C3 C2 DONE 3jB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130 5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800 6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000 7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000 8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220 9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320 10 C3 Cg M 4 3 2 1.569 133.651 -166.33 0.3630 11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000 12 C4 Cg 3 10 4 3 1.551 110.614 144.95 0.1550 13 H4 H1 E 12 10 4 1.090 108.392 -65.40 0.0000 14 C5 Cg 3 12 10 4 1.550 111.966 54.12 0.3740 15 H5 H1 E 14 12 10 1.091 109.534 68.96 0.0000 16 C6 Cg 3 14 12 10 1.547 111.895 -52.01 0.2920 17 H6A H1 E 16 14 12 1.091 110.065 -70.83 0.0000 18 H6E H1 E 16 14 12 1.090 109.985 170.44 0.0000 19 O6 Os E 16 14 12 1.484 111.063 49.63 -0.5510 20 O5 Oh S 14 12 10 1.455 108.361 -172.59 -0.7290 21 H5O Ho E 20 14 12 0.962 111.074 69.64 0.4260 22 O4 Oh S 12 10 4 1.459 109.947 177.92 -0.6840 23 H4O Ho E 22 12 10 0.968 109.165 -169.60 0.4380 24 O3 Os M 10 4 3 1.461 111.127 -95.90 -0.4870 LOOP O6 C2 DONE 3jD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920 5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890 6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000 7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000 8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540 9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800 10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100 11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900 12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000 13 C6 Cg 3 11 10 4 1.542 109.417 -121.68 0.3400 14 H61 H1 E 13 11 10 1.090 110.186 170.13 0.0000 15 H62 H1 E 13 11 10 1.090 110.250 50.63 0.0000 16 O6 Oh S 13 11 10 1.441 110.517 -70.42 -0.7250 17 H6O Ho E 16 13 11 0.959 110.296 -58.30 0.4250 18 C4 Cg M 11 10 4 1.625 104.597 1.92 0.2330 19 H4 H1 E 18 11 10 1.090 107.076 101.60 0.0000 20 O4 Oh S 18 11 10 1.458 113.707 -139.62 -0.6710 21 H4O Ho E 20 18 11 0.965 110.086 -134.30 0.4140 22 C3 Cg M 18 11 10 1.642 107.375 -13.44 0.3930 23 H3 H1 E 22 18 11 1.091 111.073 142.12 0.0000 24 O3 Os M 22 18 11 1.455 107.927 -98.38 -0.4960 LOOP C3 C2 DONE 3jU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510 5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330 6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000 7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000 8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970 9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150 10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230 11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000 12 C4 Cg 3 10 4 3 1.639 106.529 149.37 0.2840 13 H4 H1 E 12 10 4 1.091 107.844 -100.60 0.0000 14 C5 Cg 3 12 10 4 1.619 107.844 15.28 0.1000 15 H5 H1 E 14 12 10 1.089 109.205 -129.69 0.0000 16 C6 Cg 3 14 12 10 1.537 115.282 106.51 0.3490 17 H61 H1 E 16 14 12 1.090 111.054 58.46 0.0000 18 H62 H1 E 16 14 12 1.089 110.316 -62.25 0.0000 19 O6 Oh S 16 14 12 1.435 108.026 178.22 -0.6840 20 H6O Ho E 19 16 14 0.962 107.568 44.32 0.4110 21 O5 Os E 14 12 10 1.585 104.895 -12.75 -0.3890 22 O4 Oh S 12 10 4 1.442 112.118 140.35 -0.6570 23 H4O Ho E 22 12 10 0.969 105.977 -9.00 0.4100 24 O3 Os M 10 4 3 1.460 110.322 -92.24 -0.4490 LOOP O5 C2 DONE 3kA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730 5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000 6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400 7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010 8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000 9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870 10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000 11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000 12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910 13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220 14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960 15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000 16 O4 Oh S 14 7 6 1.440 109.315 -68.60 -0.7120 17 H4O Ho E 16 14 7 0.960 109.466 -58.47 0.4200 18 C3 Cg M 14 7 6 1.541 113.058 50.90 0.3540 19 H3 H1 E 18 14 7 1.091 110.148 -170.51 0.0000 20 C2 Cg B 18 14 7 1.544 111.196 -48.50 0.2810 21 H2 H1 E 20 18 14 1.091 106.696 -68.80 0.0000 22 O2 Oh S 20 18 14 1.439 110.836 175.80 -0.7160 23 H2O Ho E 22 20 18 0.960 109.409 -65.65 0.4270 24 O3 Os M 18 14 7 1.440 107.217 72.05 -0.5020 LOOP C2 C1 DONE 3kB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490 5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000 6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080 7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000 8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100 9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260 10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530 11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000 12 C4 Cg 3 10 6 4 1.545 111.988 53.40 0.2170 13 H4 H1 E 12 10 6 1.091 109.393 -172.98 0.0000 14 C5 Cg 3 12 10 6 1.553 111.117 -52.75 0.3030 15 H5 H1 E 14 12 10 1.092 107.789 -66.12 0.0000 16 C6 Cg 3 14 12 10 1.542 113.025 175.07 0.2590 17 H61 H1 E 16 14 12 1.090 110.096 53.77 0.0000 18 H62 H1 E 16 14 12 1.090 110.533 -65.83 0.0000 19 O6 Oh S 16 14 12 1.441 110.162 173.71 -0.6700 20 H6O Ho E 19 16 14 0.962 108.273 57.74 0.4160 21 O5 Os E 14 12 10 1.499 110.891 51.77 -0.5140 22 O4 Oh S 12 10 6 1.455 108.780 69.68 -0.7000 23 H4O Ho E 22 12 10 0.964 110.377 74.31 0.4250 24 O3 Os M 10 6 4 1.452 110.271 -66.88 -0.4620 LOOP O5 C1 DONE 3lA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650 5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000 6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270 7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160 8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000 9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080 10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000 11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000 12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840 13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180 14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040 15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000 16 O4 Oh S 14 7 6 1.445 108.372 -65.83 -0.6730 17 H4O Ho E 16 14 7 0.960 109.470 -59.12 0.4360 18 C3 Cg M 14 7 6 1.544 110.422 54.45 0.2530 19 H3 H1 E 18 14 7 1.091 108.559 66.00 0.0000 20 C2 Cg B 18 14 7 1.541 111.714 -54.48 0.3390 21 H2 H1 E 20 18 14 1.091 108.995 -66.63 0.0000 22 O2 Oh S 20 18 14 1.440 110.049 175.31 -0.7240 23 H2O Ho E 22 20 18 0.960 109.415 -62.60 0.4310 24 O3 Os M 18 14 7 1.440 109.147 -176.39 -0.4620 LOOP C2 C1 DONE 3lB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740 5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000 6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570 7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000 8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260 9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320 10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590 11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000 12 C4 Cg 3 10 6 4 1.546 112.254 53.31 0.2030 13 H4 H1 E 12 10 6 1.091 109.260 -175.38 0.0000 14 C5 Cg 3 12 10 6 1.545 110.517 -55.04 0.1400 15 H5 H1 E 14 12 10 1.092 107.648 -63.90 0.0000 16 C6 Cg 3 14 12 10 1.539 113.155 176.88 0.3190 17 H61 H1 E 16 14 12 1.090 110.337 53.86 0.0000 18 H62 H1 E 16 14 12 1.091 110.848 -66.38 0.0000 19 O6 Oh S 16 14 12 1.437 109.027 173.44 -0.6930 20 H6O Ho E 19 16 14 0.961 107.830 58.33 0.4190 21 O5 Os E 14 12 10 1.495 110.103 53.62 -0.4020 22 O4 Oh S 12 10 6 1.449 109.638 65.91 -0.6640 23 H4O Ho E 22 12 10 0.967 107.158 51.40 0.4370 24 O3 Os M 10 6 4 1.455 110.815 175.60 -0.4550 LOOP O5 C1 DONE 3mA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330 5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000 6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070 7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760 8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000 9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660 10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000 11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000 12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880 13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220 14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260 15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000 16 O4 Oh S 14 7 6 1.452 108.824 171.70 -0.7330 17 H4O Ho E 16 14 7 0.966 107.267 -173.46 0.4380 18 C3 Cg M 14 7 6 1.549 110.605 52.31 0.2520 19 H3 H1 E 18 14 7 1.092 108.663 62.49 0.0000 20 C2 Cg B 18 14 7 1.545 111.609 -57.15 0.2450 21 H2 H1 E 20 18 14 1.091 109.207 175.17 0.0000 22 O2 Oh S 20 18 14 1.459 109.731 -66.73 -0.7170 23 H2O Ho E 22 20 18 0.965 108.621 -45.43 0.4460 24 O3 Os M 18 14 7 1.461 110.813 -179.59 -0.4590 LOOP C2 C1 DONE 3mB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140 5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000 6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410 7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000 8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640 9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310 10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630 11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000 12 C4 Cg 3 10 6 4 1.553 110.623 60.52 0.3490 13 H4 H1 E 12 10 6 1.091 109.997 63.90 0.0000 14 C5 Cg 3 12 10 6 1.550 110.419 -57.43 0.2060 15 H5 H1 E 14 12 10 1.092 108.705 -67.76 0.0000 16 C6 Cg 3 14 12 10 1.539 111.873 172.30 0.2730 17 H61 H1 E 16 14 12 1.090 110.558 59.60 0.0000 18 H62 H1 E 16 14 12 1.091 110.262 -60.18 0.0000 19 O6 Oh S 16 14 12 1.439 109.850 179.68 -0.6800 20 H6O Ho E 19 16 14 0.962 108.414 55.86 0.4190 21 O5 Os E 14 12 10 1.498 110.843 50.51 -0.3930 22 O4 Oh S 12 10 6 1.452 109.624 -176.73 -0.7460 23 H4O Ho E 22 12 10 0.963 108.380 -79.71 0.4430 24 O3 Os M 10 6 4 1.457 110.746 -174.70 -0.4560 LOOP O5 C1 DONE 3nA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780 5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000 6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110 7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040 8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000 9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800 10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000 11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000 12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630 13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960 14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670 15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000 16 O4 Oh S 14 7 6 1.439 109.651 175.64 -0.7330 17 H4O Ho E 16 14 7 0.960 109.442 -61.75 0.4440 18 C3 Cg M 14 7 6 1.543 113.659 53.11 0.3300 19 H3 H1 E 18 14 7 1.091 110.022 -173.93 0.0000 20 C2 Cg B 18 14 7 1.541 108.602 -53.52 0.2280 21 H2 H1 E 20 18 14 1.091 106.837 -65.32 0.0000 22 O2 Oh S 20 18 14 1.439 110.703 179.06 -0.6680 23 H2O Ho E 22 20 18 0.960 109.386 -64.03 0.4150 24 O3 Os M 18 14 7 1.445 109.798 66.31 -0.4670 LOOP C2 C1 DONE 3nB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220 5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000 6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010 7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000 8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030 9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240 10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340 11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000 12 C4 Cg 3 10 6 4 1.546 109.920 54.68 0.2860 13 H4 H1 E 12 10 6 1.091 108.699 62.12 0.0000 14 C5 Cg 3 12 10 6 1.547 111.303 -57.50 0.1980 15 H5 H1 E 14 12 10 1.091 109.233 -61.92 0.0000 16 C6 Cg 3 14 12 10 1.541 112.741 177.70 0.3130 17 H61 H1 E 16 14 12 1.090 110.689 61.33 0.0000 18 H62 H1 E 16 14 12 1.090 110.338 -58.85 0.0000 19 O6 Oh S 16 14 12 1.438 109.178 -178.76 -0.6890 20 H6O Ho E 19 16 14 0.962 107.694 47.58 0.4180 21 O5 Os E 14 12 10 1.500 108.536 56.16 -0.5070 22 O4 Oh S 12 10 6 1.447 109.608 179.74 -0.7070 23 H4O Ho E 22 12 10 0.966 108.053 38.89 0.4300 24 O3 Os M 10 6 4 1.458 109.599 -65.98 -0.4200 LOOP O5 C1 DONE 3oA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050 5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000 6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240 7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540 8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000 9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960 10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220 11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220 12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670 13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000 14 O4 Oh S 12 7 6 1.455 107.562 -64.91 -0.7040 15 H4O Ho E 14 12 7 0.981 106.629 -34.53 0.4290 16 C3 Cg M 12 7 6 1.551 109.735 56.67 0.2510 17 H3 H1 E 16 12 7 1.092 108.010 56.95 0.0000 18 C2 Cg B 16 12 7 1.548 110.284 -61.11 0.4130 19 H2 H1 E 18 16 12 1.091 109.347 -64.48 0.0000 20 O2 Oh S 18 16 12 1.464 110.220 176.88 -0.7710 21 H2O Ho E 20 18 16 0.966 105.614 -87.16 0.4310 22 O3 Os M 16 12 7 1.460 111.816 174.01 -0.5030 LOOP C2 C1 DONE 3oB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010 5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000 6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830 7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000 8 O2 Oh S 6 4 3 1.460 107.566 23.78 -0.7320 9 H2O Ho E 8 6 4 0.962 106.473 -54.35 0.4010 10 C3 Cg M 6 4 3 1.553 110.962 144.51 0.2590 11 H3 H1 E 10 6 4 1.092 108.228 -67.30 0.0000 12 C4 Cg 3 10 6 4 1.548 111.733 51.56 0.2600 13 H4 H1 E 12 10 6 1.091 108.447 -176.52 0.0000 14 C5 Cg 3 12 10 6 1.538 110.856 -55.81 0.0490 15 H5 H1 E 14 12 10 1.092 107.135 -59.52 0.0000 16 C6 C B 14 12 10 1.574 110.283 -172.73 0.8380 17 O6A O2 E 16 14 12 1.254 118.706 -136.36 -0.7940 18 O6B O2 E 16 14 12 1.256 116.247 49.13 -0.7940 19 O5 Os E 14 12 10 1.506 109.239 55.41 -0.4140 20 O4 Oh S 12 10 6 1.450 109.430 65.27 -0.6610 21 H4O Ho E 20 12 10 0.961 107.547 51.96 0.4020 22 O3 Os M 10 6 4 1.466 112.472 174.09 -0.4980 LOOP O5 C1 DONE 3pA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170 5 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270 6 H11 H1 E 5 4 3 1.091 110.426 -89.86 0.0000 7 H12 H1 E 5 4 3 1.091 110.581 29.73 0.0000 8 O1 Oh S 5 4 3 1.436 110.176 150.08 -0.6440 9 H1O Ho E 8 5 4 0.960 109.427 -60.11 0.3930 10 O6 Os M 4 3 2 1.488 134.068 95.67 -0.5980 11 C6 Cg M 10 4 3 1.482 118.332 -161.65 0.3930 12 H6A H1 E 11 10 4 1.091 109.250 66.45 0.0000 13 H6E H1 E 11 10 4 1.090 109.091 -175.40 0.0000 14 C5 Cg M 11 10 4 1.536 109.077 -54.75 0.1530 15 H5 H1 E 14 11 10 1.091 108.321 -65.28 0.0000 16 O5 Oh S 14 11 10 1.437 108.893 177.77 -0.6930 17 H5O Ho E 16 14 11 0.960 109.495 178.45 0.4280 18 C4 Cg M 14 11 10 1.541 113.177 55.00 0.3940 19 H4 H1 E 18 14 11 1.091 110.012 -174.96 0.0000 20 O4 Oh S 18 14 11 1.445 109.714 65.32 -0.7020 21 H4O Ho E 20 18 14 0.960 109.435 -179.19 0.4320 22 C3 Cg M 18 14 11 1.543 108.511 -54.52 0.1500 23 H3 H1 E 22 18 14 1.091 106.088 -66.29 0.0000 24 O3 Os M 22 18 14 1.441 110.125 178.95 -0.4500 LOOP C3 C2 DONE 3pB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070 5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790 6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000 7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000 8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200 9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100 10 C3 Cg M 4 3 2 1.562 136.654 -159.34 0.1800 11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000 12 C4 Cg 3 10 4 3 1.548 113.222 144.34 0.3280 13 H4 H1 E 12 10 4 1.091 109.035 170.62 0.0000 14 C5 Cg 3 12 10 4 1.546 111.648 50.00 0.1880 15 H5 H1 E 14 12 10 1.091 108.531 65.60 0.0000 16 C6 Cg 3 14 12 10 1.540 111.137 -53.12 0.3640 17 H6A H1 E 16 14 12 1.091 110.957 -65.43 0.0000 18 H6E H1 E 16 14 12 1.090 110.095 174.89 0.0000 19 O6 Os E 16 14 12 1.483 108.996 55.37 -0.5400 20 O5 Oh S 14 12 10 1.454 110.567 -176.42 -0.7050 21 H5O Ho E 20 14 12 0.967 108.400 37.89 0.4330 22 O4 Oh S 12 10 4 1.453 109.303 -71.38 -0.6980 23 H4O Ho E 22 12 10 0.967 106.113 -55.83 0.4270 24 O3 Os M 10 4 3 1.462 112.137 18.93 -0.4530 LOOP O6 C2 DONE 3pD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240 5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860 6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000 7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000 8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910 9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190 10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530 11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940 12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000 13 C6 Cg 3 11 10 4 1.529 108.517 -121.64 0.2910 14 H61 H1 E 13 11 10 1.090 110.281 176.00 0.0000 15 H62 H1 E 13 11 10 1.091 110.695 55.73 0.0000 16 O6 Oh S 13 11 10 1.433 108.604 -64.48 -0.6950 17 H6O Ho E 16 13 11 0.960 109.454 -59.02 0.4110 18 C4 Cg M 11 10 4 1.626 105.532 -0.49 0.2820 19 H4 H1 E 18 11 10 1.091 112.773 -134.13 0.0000 20 O4 Oh S 18 11 10 1.437 105.885 105.93 -0.6830 21 H4O Ho E 20 18 11 0.960 109.464 -177.78 0.4210 22 C3 Cg M 18 11 10 1.629 106.867 -10.85 0.3340 23 H3 H1 E 22 18 11 1.090 106.567 -97.07 0.0000 24 O3 Os M 22 18 11 1.441 113.670 145.25 -0.4400 LOOP C3 C2 DONE 3pU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880 5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650 6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000 7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000 8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870 9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180 10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340 11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000 12 C4 Cg 3 10 4 3 1.631 107.756 169.64 0.1920 13 H4 H1 E 12 10 4 1.091 111.099 133.10 0.0000 14 C5 Cg 3 12 10 4 1.623 107.338 10.25 0.3690 15 H5 H1 E 14 12 10 1.092 111.285 -129.81 0.0000 16 C6 Cg 3 14 12 10 1.529 112.798 106.76 0.2150 17 H61 H1 E 16 14 12 1.090 110.301 60.35 0.0000 18 H62 H1 E 16 14 12 1.091 110.659 -59.91 0.0000 19 O6 Oh S 16 14 12 1.433 108.649 179.93 -0.6780 20 H6O Ho E 19 16 14 0.960 109.500 -58.51 0.4210 21 O5 Os E 14 12 10 1.576 105.494 -11.41 -0.4800 22 O4 Oh S 12 10 4 1.438 110.850 -105.23 -0.7110 23 H4O Ho E 22 12 10 0.960 109.445 -179.82 0.4380 24 O3 Os M 10 4 3 1.441 112.255 44.83 -0.4840 LOOP O5 C2 DONE 3qA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650 5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000 6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590 7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340 8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000 9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600 10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000 11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000 12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000 13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080 14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000 15 O4 Oh S 13 7 6 1.456 108.902 171.97 -0.6640 16 H4O Ho E 15 13 7 0.963 110.329 76.40 0.4030 17 C3 Cg M 13 7 6 1.550 111.848 51.22 0.3120 18 H3 H1 E 17 13 7 1.092 109.484 68.56 0.0000 19 C2 Cg B 17 13 7 1.550 112.115 -52.85 0.2810 20 H2 H1 E 19 17 13 1.091 108.369 -65.92 0.0000 21 O2 Oh S 19 17 13 1.464 112.236 175.32 -0.6950 22 H2O Ho E 21 19 17 0.963 109.360 -65.35 0.4220 23 O3 Os M 17 13 7 1.451 107.191 -173.73 -0.4670 LOOP C2 C1 DONE 3qB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910 5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000 6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230 7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000 8 O2 Oh S 6 4 3 1.460 110.327 25.57 -0.7130 9 H2O Ho E 8 6 4 0.966 107.987 -53.85 0.4200 10 C3 Cg M 6 4 3 1.546 109.870 145.94 0.3000 11 H3 H1 E 10 6 4 1.092 108.841 -69.08 0.0000 12 C4 Cg 3 10 6 4 1.549 112.577 51.86 0.2500 13 H4 H1 E 12 10 6 1.092 109.316 68.82 0.0000 14 C5 Cg 3 12 10 6 1.548 111.410 -52.00 0.2710 15 H5 H1 E 14 12 10 1.092 109.263 -66.11 0.0000 16 C6 Cg 3 14 12 10 1.530 114.065 172.27 0.0480 17 H61 Hc E 16 14 12 1.091 111.262 -178.50 0.0000 18 H62 Hc E 16 14 12 1.091 111.509 62.03 0.0000 19 H63 Hc E 16 14 12 1.091 111.710 -58.34 0.0000 20 O5 Os E 14 12 10 1.486 109.336 52.29 -0.5350 21 O4 Oh S 12 10 6 1.451 109.144 -172.28 -0.7130 22 H4O Ho E 21 12 10 0.966 107.748 -53.29 0.4210 23 O3 Os M 10 6 4 1.454 109.133 172.74 -0.4630 LOOP O5 C1 DONE 3rA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880 5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000 6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610 7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770 8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000 9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000 10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220 11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000 12 O4 Oh S 10 7 6 1.437 108.837 177.17 -0.6630 13 H4O Ho E 12 10 7 0.960 109.433 -61.56 0.4190 14 C3 Cg M 10 7 6 1.542 113.340 54.31 0.3450 15 H3 H1 E 14 10 7 1.091 110.108 -174.25 0.0000 16 C2 Cg B 14 10 7 1.542 108.334 -53.79 0.2530 17 H2 H1 E 16 14 10 1.091 106.798 -65.63 0.0000 18 O2 Oh S 16 14 10 1.439 110.674 178.86 -0.7110 19 H2O Ho E 18 16 14 0.960 109.367 -64.08 0.4190 20 O3 Os M 14 10 7 1.445 109.754 65.90 -0.4880 LOOP C2 C1 DONE 3rB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810 5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000 6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850 7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000 8 O2 Oh S 6 4 3 1.459 113.253 8.58 -0.7320 9 H2O Ho E 8 6 4 0.963 108.588 -45.68 0.4140 10 C3 Cg M 6 4 3 1.550 109.259 132.95 0.2030 11 H3 H1 E 10 6 4 1.091 109.709 178.53 0.0000 12 C4 Cg 3 10 6 4 1.548 108.635 58.66 0.2360 13 H4 H1 E 12 10 6 1.091 108.914 60.36 0.0000 14 C5 Cg 3 12 10 6 1.549 110.878 -58.91 0.3350 15 H5A H1 E 14 12 10 1.091 110.751 -65.58 0.0000 16 H5E H1 E 14 12 10 1.090 110.011 175.14 0.0000 17 O5 Os E 14 12 10 1.488 109.926 55.20 -0.5760 18 O4 Oh S 12 10 6 1.453 110.299 178.35 -0.6950 19 H4O Ho E 18 12 10 0.963 110.348 -71.99 0.4110 20 O3 Os M 10 6 4 1.460 111.251 -60.93 -0.4620 LOOP O5 C1 DONE 3rD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450 5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000 6 O4 Os M 4 3 2 1.561 97.975 72.12 -0.5130 7 C4 Cg M 6 4 3 1.590 113.384 153.92 0.3270 8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000 9 C5 Cg 3 7 6 4 1.540 110.745 -124.36 0.1950 10 H51 H1 E 9 7 6 1.090 109.790 172.36 0.0000 11 H52 H1 E 9 7 6 1.090 109.854 53.62 0.0000 12 O5 Oh S 9 7 6 1.441 111.480 -67.27 -0.6670 13 H5O Ho E 12 9 7 0.961 110.927 -63.80 0.4080 14 C3 Cg M 7 6 4 1.627 104.801 -3.59 0.2750 15 H3 H1 E 14 7 6 1.090 111.845 -130.65 0.0000 16 C2 Cg B 14 7 6 1.641 107.074 -9.06 0.3180 17 H2 H1 E 16 14 7 1.090 106.590 -95.30 0.0000 18 O2 Oh S 16 14 7 1.461 113.571 147.17 -0.7090 19 H2O Ho E 18 16 14 0.962 110.320 57.03 0.4160 20 O3 Os M 14 7 6 1.452 108.122 109.49 -0.4950 LOOP C2 C1 DONE 3rU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780 5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000 6 C2 Cg M 4 3 2 1.633 131.021 -175.92 0.2930 7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000 8 O2 Oh S 6 4 3 1.462 109.045 117.82 -0.6700 9 H2O Ho E 8 6 4 0.963 109.628 -69.88 0.4200 10 C3 Cg M 6 4 3 1.643 106.357 -122.88 0.2890 11 H3 H1 E 10 6 4 1.091 108.114 103.55 0.0000 12 C4 Cg 3 10 6 4 1.616 107.735 -14.49 0.1020 13 H4 H1 E 12 10 6 1.091 109.546 -104.49 0.0000 14 C5 Cg 3 12 10 6 1.534 112.497 133.15 0.3380 15 H51 H1 E 14 12 10 1.090 110.394 -65.27 0.0000 16 H52 H1 E 14 12 10 1.090 110.006 54.34 0.0000 17 O5 Oh S 14 12 10 1.436 109.887 174.05 -0.6920 18 H5O Ho E 17 14 12 0.959 109.586 -178.63 0.4150 19 O4 Os E 12 10 6 1.587 104.949 11.40 -0.4240 20 O3 Os M 10 6 4 1.443 112.608 -136.62 -0.4490 LOOP O4 C1 DONE 3tA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560 5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000 6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800 7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570 8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000 9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040 10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000 11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000 12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690 13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010 14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340 15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000 16 O4 Oh S 14 7 6 1.443 109.067 -67.36 -0.7310 17 H4O Ho E 16 14 7 0.960 109.459 -59.56 0.4170 18 C3 Cg M 14 7 6 1.543 109.739 53.52 0.1240 19 H3 H1 E 18 14 7 1.091 106.734 65.74 0.0000 20 C2 Cg B 18 14 7 1.545 114.910 -52.34 0.2450 21 H2 H1 E 20 18 14 1.091 109.723 171.12 0.0000 22 O2 Oh S 20 18 14 1.440 110.347 -69.94 -0.6550 23 H2O Ho E 22 20 18 0.960 109.490 -179.95 0.4360 24 O3 Os M 18 14 7 1.439 110.707 -178.75 -0.4390 LOOP C2 C1 DONE 3tB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060 5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000 6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400 7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000 8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370 9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970 10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740 11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000 12 C4 Cg 3 10 6 4 1.547 114.890 51.64 0.3140 13 H4 H1 E 12 10 6 1.091 109.570 -171.49 0.0000 14 C5 Cg 3 12 10 6 1.547 110.218 -50.96 0.0310 15 H5 H1 E 14 12 10 1.092 107.394 -65.47 0.0000 16 C6 Cg 3 14 12 10 1.535 115.137 174.64 0.3490 17 H61 H1 E 16 14 12 1.090 110.278 53.24 0.0000 18 H62 H1 E 16 14 12 1.091 110.886 -67.01 0.0000 19 O6 Oh S 16 14 12 1.434 108.837 172.73 -0.6660 20 H6O Ho E 19 16 14 0.960 109.430 59.34 0.4060 21 O5 Os E 14 12 10 1.487 109.426 51.66 -0.3540 22 O4 Oh S 12 10 6 1.443 110.169 69.26 -0.6260 23 H4O Ho E 22 12 10 0.960 109.455 179.72 0.4130 24 O3 Os M 10 6 4 1.439 110.677 177.92 -0.4470 LOOP O5 C1 DONE 3uA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630 5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000 6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150 7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320 8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000 9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970 10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570 11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570 12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230 13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000 14 O4 Oh S 12 7 6 1.461 110.851 178.69 -0.7110 15 H4O Ho E 14 12 7 0.984 107.477 28.92 0.3970 16 C3 Cg M 12 7 6 1.551 110.331 -57.99 0.4170 17 H3 H1 E 16 12 7 1.092 108.572 -66.35 0.0000 18 C2 Cg B 16 12 7 1.555 113.490 54.77 0.2590 19 H2 H1 E 18 16 12 1.092 108.782 71.56 0.0000 20 O2 Oh S 18 16 12 1.469 110.384 -169.42 -0.6850 21 H2O Ho E 20 18 16 0.960 110.184 53.77 0.3850 22 O3 Os M 16 12 7 1.454 107.203 176.93 -0.5480 LOOP C2 C1 DONE 3uB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780 5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000 6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890 7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000 8 O2 Oh S 6 4 3 1.455 112.599 20.48 -0.6800 9 H2O Ho E 8 6 4 0.964 105.470 -160.22 0.4220 10 C3 Cg M 6 4 3 1.545 111.752 -104.72 0.2860 11 H3 H1 E 10 6 4 1.091 110.248 64.55 0.0000 12 C4 Cg 3 10 6 4 1.552 109.635 -56.61 0.3080 13 H4 H1 E 12 10 6 1.092 107.907 -61.83 0.0000 14 C5 Cg 3 12 10 6 1.546 112.015 56.37 0.1940 15 H5 H1 E 14 12 10 1.091 107.278 -167.70 0.0000 16 C6 C B 14 12 10 1.581 111.637 77.65 0.7500 17 O6A O2 E 16 14 12 1.252 117.516 -129.70 -0.7830 18 O6B O2 E 16 14 12 1.255 117.682 48.62 -0.7830 19 O5 Os E 14 12 10 1.512 108.685 -52.87 -0.4300 20 O4 Oh S 12 10 6 1.456 110.245 -178.60 -0.7450 21 H4O Ho E 20 12 10 0.987 106.847 -97.51 0.4220 22 O3 Os M 10 6 4 1.460 109.228 -175.94 -0.5280 LOOP O5 C1 DONE 3vA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890 5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000 6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660 7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120 8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000 9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620 10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000 11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000 12 O6 Oh S 9 7 6 1.435 111.052 63.47 -0.7110 13 H6O Ho E 12 9 7 0.972 106.687 28.27 0.4240 14 C4 Cg M 7 6 4 1.548 110.914 -51.03 0.3260 15 H4 H1 E 14 7 6 1.091 109.088 172.26 0.0000 16 O4 Oh S 14 7 6 1.450 110.237 -68.94 -0.7010 17 H4O Ho E 16 14 7 0.968 106.613 169.99 0.4420 18 C3 Cg M 14 7 6 1.547 111.081 51.89 0.1760 19 H3 H1 E 18 14 7 1.091 107.961 63.63 0.0000 20 C2 Cg B 18 14 7 1.551 111.657 -55.51 0.3990 21 H2 H1 E 20 18 14 1.092 107.862 -63.61 0.0000 22 N2 Ng B 20 18 14 1.483 110.775 178.49 -0.5950 23 H2N H E 22 20 18 1.007 117.335 -40.12 0.2380 24 C2N C B 22 20 18 1.336 122.570 153.82 0.6250 25 O2N O E 24 22 20 1.227 121.897 -4.65 -0.6050 26 CME Cg 3 24 22 20 1.541 116.317 175.68 0.0320 27 H1M Hc E 26 24 22 1.091 109.644 69.76 0.0000 28 H2M Hc E 26 24 22 1.091 110.181 -170.34 0.0000 29 H3M Hc E 26 24 22 1.091 110.069 -50.52 0.0000 30 O3 Os M 18 14 7 1.462 109.029 179.93 -0.4470 LOOP C2 C1 DONE 3vB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050 5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000 6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440 7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000 8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860 9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540 10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860 11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560 12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000 13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000 14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000 15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640 16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520 17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000 18 C4 Cg 3 16 6 4 1.544 111.369 55.44 0.2530 19 H4 H1 E 18 16 6 1.091 109.237 -177.04 0.0000 20 C5 Cg 3 18 16 6 1.544 111.265 -56.32 0.1360 21 H5 H1 E 20 18 16 1.092 107.572 -64.67 0.0000 22 C6 Cg 3 20 18 16 1.539 112.869 176.15 0.3530 23 H61 H1 E 22 20 18 1.091 110.331 53.32 0.0000 24 H62 H1 E 22 20 18 1.090 110.929 -67.00 0.0000 25 O6 Oh S 22 20 18 1.436 108.896 172.76 -0.7140 26 H6O Ho E 25 22 20 0.962 107.704 58.75 0.4270 27 O5 Os E 20 18 16 1.495 110.300 52.85 -0.4080 28 O4 Oh S 18 16 6 1.445 108.904 64.66 -0.6900 29 H4O Ho E 28 18 16 0.968 108.059 41.88 0.4400 30 O3 Os M 16 6 4 1.462 113.219 178.26 -0.4440 LOOP O5 C1 DONE 3wA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621 5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000 6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415 7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421 8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000 9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995 10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000 11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000 12 O6 Oh S 9 7 6 1.443 112.033 72.71 -0.6618 13 H6O Ho E 12 9 7 0.961 109.813 82.79 0.3959 14 C4 Cg M 7 6 4 1.547 111.317 -49.02 0.3213 15 H4 H1 E 14 7 6 1.091 109.249 -73.83 0.0000 16 O4 Oh S 14 7 6 1.458 108.618 168.10 -0.7305 17 H4O Ho E 16 14 7 0.964 111.017 -68.07 0.4424 18 C3 Cg M 14 7 6 1.550 112.664 46.63 0.2520 19 H3 H1 E 18 14 7 1.091 108.491 68.12 0.0000 20 C2 Cg B 18 14 7 1.549 112.400 -51.61 0.2750 21 H2 H1 E 20 18 14 1.092 108.473 171.95 0.0000 22 N2 Ng B 20 18 14 1.482 111.789 -70.12 -0.4751 23 H2N H E 22 20 18 1.007 117.562 12.93 0.2142 24 C2N C B 22 20 18 1.336 123.787 -162.76 0.5909 25 O2N O E 24 22 20 1.229 122.265 -3.32 -0.5757 26 CME Cg 3 24 22 20 1.539 115.681 177.62 -0.0340 27 H1M Hc E 26 24 22 1.091 109.868 -60.00 0.0000 28 H2M Hc E 26 24 22 1.091 110.252 -179.93 0.0000 29 H3M Hc E 26 24 22 1.091 109.810 60.19 0.0000 30 O3 Os M 18 14 7 1.455 109.482 -174.62 -0.4768 LOOP C2 C1 DONE 3wB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870 5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000 6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940 7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000 8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580 9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650 10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850 11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560 12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000 13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000 14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000 15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000 16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170 17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000 18 C4 Cg 3 16 6 4 1.551 112.012 54.98 0.2770 19 H4 H1 E 18 16 6 1.092 109.220 68.41 0.0000 20 C5 Cg 3 18 16 6 1.549 111.754 -52.70 0.3210 21 H5 H1 E 20 18 16 1.092 108.891 -67.49 0.0000 22 C6 Cg 3 20 18 16 1.542 112.546 172.10 0.2470 23 H61 H1 E 22 20 18 1.090 110.437 60.16 0.0000 24 H62 H1 E 22 20 18 1.091 110.098 -59.35 0.0000 25 O6 Oh S 22 20 18 1.442 110.379 -179.51 -0.6630 26 H6O Ho E 25 22 20 0.962 108.929 56.35 0.4130 27 O5 Os E 20 18 16 1.498 109.860 50.66 -0.4980 28 O4 Oh S 18 16 6 1.447 108.869 -173.07 -0.7430 29 H4O Ho E 28 18 16 0.968 107.478 -48.60 0.4390 30 O3 Os M 16 6 4 1.458 111.031 177.66 -0.4390 LOOP O5 C1 DONE 3xA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820 5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000 6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880 7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350 8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000 9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000 10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470 11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000 12 O4 Oh S 10 7 6 1.453 108.593 173.08 -0.7200 13 H4O Ho E 12 10 7 0.967 107.931 -176.07 0.4200 14 C3 Cg M 10 7 6 1.547 110.634 51.97 0.3590 15 H3 H1 E 14 10 7 1.092 109.703 67.85 0.0000 16 C2 Cg B 14 10 7 1.543 112.192 -53.97 0.1970 17 H2 H1 E 16 14 10 1.091 108.478 -65.50 0.0000 18 O2 Oh S 16 14 10 1.464 110.541 176.58 -0.6560 19 H2O Ho E 18 16 14 0.967 109.241 -84.85 0.4090 20 O3 Os M 14 10 7 1.451 108.617 -173.43 -0.4850 LOOP C2 C1 DONE 3xB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480 5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000 6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250 7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000 8 O2 Oh S 6 4 3 1.452 109.095 25.68 -0.6990 9 H2O Ho E 8 6 4 0.965 106.939 -49.61 0.3980 10 C3 Cg M 6 4 3 1.547 111.138 145.56 0.2280 11 H3 H1 E 10 6 4 1.092 109.005 -68.97 0.0000 12 C4 Cg 3 10 6 4 1.546 111.370 51.34 0.2860 13 H4 H1 E 12 10 6 1.091 109.653 67.94 0.0000 14 C5 Cg 3 12 10 6 1.541 111.571 -53.00 0.3030 15 H5A H1 E 14 12 10 1.092 110.518 -66.11 0.0000 16 H5E H1 E 14 12 10 1.090 110.176 174.39 0.0000 17 O5 Os E 14 12 10 1.482 109.795 54.26 -0.4470 18 O4 Oh S 12 10 6 1.447 109.213 -172.90 -0.7230 19 H4O Ho E 18 12 10 0.966 107.383 -51.48 0.4300 20 O3 Os M 10 6 4 1.458 109.994 172.23 -0.4490 LOOP O5 C1 DONE 3xD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280 5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000 6 O4 Os M 4 3 2 1.561 69.372 -71.25 -0.5070 7 C4 Cg M 6 4 3 1.593 113.153 -99.38 0.2370 8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000 9 C5 Cg 3 7 6 4 1.543 109.223 -125.39 0.2800 10 H51 H1 E 9 7 6 1.090 111.083 166.42 0.0000 11 H52 H1 E 9 7 6 1.090 109.111 -74.77 0.0000 12 O5 Oh S 9 7 6 1.441 110.629 44.19 -0.6780 13 H5O Ho E 12 9 7 0.962 107.911 -53.44 0.4220 14 C3 Cg M 7 6 4 1.626 104.822 0.57 0.3020 15 H3 H1 E 14 7 6 1.091 107.635 106.72 0.0000 16 C2 Cg B 14 7 6 1.634 107.473 -10.20 0.2480 17 H2 H1 E 16 14 7 1.091 108.718 -100.07 0.0000 18 O2 Oh S 16 14 7 1.455 111.279 140.82 -0.6570 19 H2O Ho E 18 16 14 0.967 107.830 -104.95 0.4070 20 O3 Os M 14 7 6 1.447 113.750 -133.56 -0.4820 LOOP C2 C1 DONE 3xU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880 5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000 6 C2 Cg M 4 3 2 1.632 131.215 -128.66 0.3820 7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000 8 O2 Oh S 6 4 3 1.454 112.254 24.53 -0.7310 9 H2O Ho E 8 6 4 0.963 109.130 -68.38 0.4200 10 C3 Cg M 6 4 3 1.636 107.260 145.70 0.2240 11 H3 H1 E 10 6 4 1.091 109.533 -107.12 0.0000 12 C4 Cg 3 10 6 4 1.626 107.660 10.02 0.1420 13 H4 H1 E 12 10 6 1.091 108.631 -124.08 0.0000 14 C5 Cg 3 12 10 6 1.541 115.732 113.08 0.2850 15 H51 H1 E 14 12 10 1.090 109.960 60.60 0.0000 16 H52 H1 E 14 12 10 1.091 110.415 -59.03 0.0000 17 O5 Oh S 14 12 10 1.439 110.113 -179.62 -0.6350 18 H5O Ho E 17 14 12 0.959 109.575 -48.10 0.3960 19 O4 Os E 12 10 6 1.585 104.984 -8.09 -0.4270 20 O3 Os M 10 6 4 1.450 111.002 133.42 -0.4440 LOOP O4 C1 DONE 3yA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680 5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000 6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680 7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460 8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000 9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280 10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000 11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000 12 O6 Oh S 9 7 6 1.444 111.701 66.58 -0.6880 13 H6O Ho E 12 9 7 0.960 109.460 -179.56 0.4210 14 C4 Cg M 7 6 4 1.544 111.305 -49.64 0.3220 15 H4 H1 E 14 7 6 1.091 109.775 -72.41 0.0000 16 O4 Oh S 14 7 6 1.448 108.615 168.54 -0.7330 17 H4O Ho E 16 14 7 0.967 106.060 -170.93 0.4490 18 C3 Cg M 14 7 6 1.546 112.523 49.14 0.1650 19 H3 H1 E 18 14 7 1.092 109.255 68.91 0.0000 20 C2 Cg B 18 14 7 1.547 112.211 -51.74 0.2450 21 H2 H1 E 20 18 14 1.092 107.659 -66.49 0.0000 22 N2 Ng B 20 18 14 1.486 111.285 175.94 -0.5520 23 H2N H E 22 20 18 1.009 115.982 -94.71 0.2360 24 C2N C B 22 20 18 1.338 124.714 81.84 0.5880 25 O2N O E 24 22 20 1.228 121.379 -4.88 -0.5790 26 CME Cg 3 24 22 20 1.544 117.110 175.73 0.0630 27 H1M Hc E 26 24 22 1.090 109.379 118.32 0.0000 28 H2M Hc E 26 24 22 1.091 109.387 -122.31 0.0000 29 H3M Hc E 26 24 22 1.092 111.363 -2.06 0.0000 30 O3 Os M 18 14 7 1.457 108.091 -173.19 -0.4110 LOOP C2 C1 DONE 3yB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870 5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000 6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800 7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000 8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220 9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000 10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480 11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340 12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000 13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000 14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000 15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760 16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800 17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000 18 C4 Cg 3 16 6 4 1.547 110.847 53.41 0.3020 19 H4 H1 E 18 16 6 1.092 109.529 65.76 0.0000 20 C5 Cg 3 18 16 6 1.542 111.743 -55.82 0.2080 21 H5 H1 E 20 18 16 1.092 109.079 -62.53 0.0000 22 C6 Cg 3 20 18 16 1.540 112.556 176.83 0.2890 23 H61 H1 E 22 20 18 1.090 110.526 60.82 0.0000 24 H62 H1 E 22 20 18 1.091 110.298 -59.01 0.0000 25 O6 Oh S 22 20 18 1.439 109.712 -179.18 -0.6890 26 H6O Ho E 25 22 20 0.961 108.379 54.80 0.4240 27 O5 Os E 20 18 16 1.493 108.679 55.34 -0.4330 28 O4 Oh S 18 16 6 1.444 108.505 -175.54 -0.7160 29 H4O Ho E 28 18 16 0.967 106.789 -52.54 0.4360 30 O3 Os M 16 6 4 1.462 112.173 174.68 -0.4520 LOOP O5 C1 DONE 3zA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980 5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000 6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440 7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870 8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000 9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980 10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870 11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870 12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930 13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000 14 O4 Oh S 12 7 6 1.452 107.400 168.29 -0.6820 15 H4O Ho E 14 12 7 0.983 105.869 47.72 0.4220 16 C3 Cg M 12 7 6 1.555 113.190 47.11 0.3000 17 H3 H1 E 16 12 7 1.092 108.970 72.43 0.0000 18 C2 Cg B 16 12 7 1.547 112.948 -48.46 0.3260 19 H2 H1 E 18 16 12 1.091 108.371 -69.20 0.0000 20 O2 Oh S 18 16 12 1.467 110.467 172.90 -0.7320 21 H2O Ho E 20 18 16 0.965 107.076 -83.83 0.4060 22 O3 Os M 16 12 7 1.458 110.360 -168.45 -0.4980 LOOP C2 C1 DONE 3zB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510 5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000 6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110 7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000 8 O2 Oh S 6 4 3 1.458 107.250 21.17 -0.7400 9 H2O Ho E 8 6 4 0.962 106.072 -51.06 0.4220 10 C3 Cg M 6 4 3 1.551 111.345 142.85 0.2660 11 H3 H1 E 10 6 4 1.092 108.729 -71.83 0.0000 12 C4 Cg 3 10 6 4 1.552 112.291 48.56 0.2670 13 H4 H1 E 12 10 6 1.092 109.244 70.35 0.0000 14 C5 Cg 3 12 10 6 1.542 113.280 -50.40 0.0750 15 H5 H1 E 14 12 10 1.092 107.974 -63.51 0.0000 16 C6 C B 14 12 10 1.584 111.106 -178.60 0.8930 17 O6A O2 E 16 14 12 1.252 118.262 -140.20 -0.8180 18 O6B O2 E 16 14 12 1.258 117.333 41.17 -0.8180 19 O5 Os E 14 12 10 1.502 108.303 51.87 -0.4130 20 O4 Oh S 12 10 6 1.449 108.610 -171.54 -0.7330 21 H4O Ho E 20 12 10 0.987 105.292 166.54 0.4290 22 O3 Os M 10 6 4 1.459 111.009 168.82 -0.4920 LOOP O5 C1 DONE 4AA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480 5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000 6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680 7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000 8 O2 Oh S 6 4 3 1.437 106.880 64.80 -0.7350 9 H2O Ho E 8 6 4 0.960 109.480 -177.98 0.4430 10 C3 Cg M 6 4 3 1.543 115.075 -176.20 0.3350 11 H3 H1 E 10 6 4 1.091 110.217 -167.01 0.0000 12 O3 Oh S 10 6 4 1.441 106.949 75.66 -0.7720 13 H3O Ho E 12 10 6 0.960 109.473 59.41 0.4610 14 C4 Cg M 10 6 4 1.543 111.532 -44.66 0.2450 15 H4 H1 E 14 10 6 1.091 108.482 -68.58 0.0000 16 C5 Cg 3 14 10 6 1.532 112.944 51.47 0.3790 17 H5E H1 E 16 14 10 1.090 110.447 -175.26 0.0000 18 H5A H1 E 16 14 10 1.091 110.923 64.60 0.0000 19 O5 Os E 16 14 10 1.479 108.551 -55.64 -0.5640 20 O4 Os M 14 10 6 1.437 110.197 173.67 -0.5080 LOOP O5 C1 DONE 4AB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790 5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000 6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290 7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560 8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000 9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000 10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240 11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000 12 C3 Cg 3 10 7 6 1.551 111.087 -54.27 0.2970 13 H3 H1 E 12 10 7 1.091 109.244 175.99 0.0000 14 O3 Oh S 12 10 7 1.454 109.593 -65.87 -0.6680 15 H3O Ho E 14 12 10 0.966 107.607 -47.31 0.4070 16 C2 Cg B 12 10 7 1.543 111.469 54.81 0.3000 17 H2 H1 E 16 12 10 1.091 109.979 -173.48 0.0000 18 O2 Oh S 16 12 10 1.460 108.027 68.57 -0.7000 19 H2O Ho E 18 16 12 0.965 107.206 -167.33 0.4180 20 O4 Os M 10 7 6 1.458 110.447 -177.16 -0.4840 LOOP C2 C1 DONE 4BA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300 5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280 6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000 7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000 8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780 9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990 10 C3 Cg M 4 3 2 1.559 106.735 7.30 0.3720 11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000 12 O3 Oh S 10 4 3 1.456 111.120 -18.72 -0.7160 13 H3O Ho E 12 10 4 0.964 107.033 -168.33 0.4300 14 C4 Cg M 10 4 3 1.548 110.877 -143.81 0.3350 15 H4 H1 E 14 10 4 1.092 109.910 62.48 0.0000 16 C5 Cg 3 14 10 4 1.550 109.394 -58.65 0.2240 17 H5 H1 E 16 14 10 1.091 109.416 -64.57 0.0000 18 C6 Cg 3 16 14 10 1.544 111.673 55.39 0.3410 19 H6E H1 E 18 16 14 1.090 110.000 -171.23 0.0000 20 H6A H1 E 18 16 14 1.091 110.069 70.07 0.0000 21 O6 Os E 18 16 14 1.491 111.103 -50.56 -0.5070 22 O5 Oh S 16 14 10 1.455 110.457 176.19 -0.6900 23 H5O Ho E 22 16 14 0.963 109.307 77.89 0.4290 24 O4 Os M 14 10 4 1.461 109.578 -178.37 -0.4970 LOOP O6 C2 DONE 4BB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270 5 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810 6 H12 H1 E 5 4 3 1.091 110.325 40.86 0.0000 7 H11 H1 E 5 4 3 1.090 110.121 159.57 0.0000 8 O1 Oh S 5 4 3 1.444 111.743 -80.01 -0.6260 9 H1O Ho E 8 5 4 0.960 109.452 179.75 0.3950 10 O6 Os M 4 3 2 1.482 134.628 169.57 -0.4770 11 C6 Cg M 10 4 3 1.485 116.916 144.77 0.3110 12 H6E H1 E 11 10 4 1.090 109.104 176.90 0.0000 13 H6A H1 E 11 10 4 1.091 109.162 -65.19 0.0000 14 C5 Cg M 11 10 4 1.543 109.751 56.11 0.3400 15 H5 H1 E 14 11 10 1.091 108.952 69.35 0.0000 16 O5 Oh S 14 11 10 1.444 108.793 -172.08 -0.7200 17 H5O Ho E 16 14 11 0.966 106.322 170.63 0.4290 18 C4 Cg M 14 11 10 1.545 112.662 -52.43 0.1080 19 H4 H1 E 18 14 11 1.092 109.257 -67.90 0.0000 20 C3 Cg B 18 14 11 1.550 110.670 52.18 0.4640 21 H3 H1 E 20 18 14 1.092 108.385 68.01 0.0000 22 O3 Oh S 20 18 14 1.453 108.659 -174.74 -0.7300 23 H3O Ho E 22 20 18 0.965 106.403 -179.38 0.4320 24 O4 Os M 18 14 11 1.460 109.081 173.87 -0.4340 LOOP C3 C2 DONE 4BD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410 5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130 6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000 7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000 8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680 9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140 10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400 11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000 12 O3 Oh S 10 4 3 1.453 115.892 -99.73 -0.7320 13 H3O Ho E 12 10 4 0.959 109.052 121.29 0.4040 14 C4 Cg M 10 4 3 1.636 106.644 136.55 0.2250 15 H4 H1 E 14 10 4 1.091 108.604 98.33 0.0000 16 C5 Cg 3 14 10 4 1.626 107.413 -17.56 0.2710 17 H5 H1 E 16 14 10 1.091 108.621 126.81 0.0000 18 C6 Cg 3 16 14 10 1.543 115.360 -109.99 0.2810 19 H62 H1 E 18 16 14 1.091 109.980 67.38 0.0000 20 H61 H1 E 18 16 14 1.090 110.249 -51.87 0.0000 21 O6 Oh S 18 16 14 1.443 110.886 -171.63 -0.6790 22 H6O Ho E 21 18 16 0.959 110.164 69.40 0.4110 23 O5 Os E 16 14 10 1.587 104.732 10.45 -0.4520 24 O4 Os M 14 10 4 1.457 112.032 -142.43 -0.4690 LOOP O5 C2 DONE 4BU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470 5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990 6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000 7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000 8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270 9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820 10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850 11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100 12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000 13 C6 Cg 3 11 10 4 1.541 109.962 118.91 0.3320 14 H62 H1 E 13 11 10 1.090 110.302 -58.44 0.0000 15 H61 H1 E 13 11 10 1.090 109.861 -177.80 0.0000 16 O6 Oh S 13 11 10 1.442 110.695 62.46 -0.7010 17 H6O Ho E 16 13 11 0.959 110.169 52.94 0.4090 18 C4 Cg M 11 10 4 1.624 104.801 -5.21 0.2830 19 H4 H1 E 18 11 10 1.091 107.561 -105.82 0.0000 20 C3 Cg B 18 11 10 1.637 107.577 11.31 0.3820 21 H3 H1 E 20 18 11 1.091 108.163 103.95 0.0000 22 O3 Oh S 20 18 11 1.455 110.878 -138.10 -0.7420 23 H3O Ho E 22 20 18 0.963 108.479 -160.63 0.4260 24 O4 Os M 18 11 10 1.453 112.691 135.08 -0.5150 LOOP C3 C2 DONE 4CA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450 5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860 6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000 7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000 8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960 9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020 10 C3 Cg M 4 3 2 1.575 105.291 0.80 0.2470 11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000 12 O3 Oh S 10 4 3 1.466 111.567 86.40 -0.6550 13 H3O Ho E 12 10 4 0.965 109.737 -159.40 0.4060 14 C4 Cg M 10 4 3 1.551 113.411 -152.18 0.3670 15 H4 H1 E 14 10 4 1.091 108.797 -167.01 0.0000 16 C5 Cg 3 14 10 4 1.544 112.343 -46.95 0.1950 17 H5 H1 E 16 14 10 1.091 108.612 -61.32 0.0000 18 C6 Cg 3 16 14 10 1.538 109.577 57.29 0.4370 19 H6E H1 E 18 16 14 1.090 109.936 -178.47 0.0000 20 H6A H1 E 18 16 14 1.091 110.981 62.19 0.0000 21 O6 Os E 18 16 14 1.483 109.646 -58.96 -0.6200 22 O5 Oh S 16 14 10 1.462 110.821 -179.28 -0.7090 23 H5O Ho E 22 16 14 0.964 110.741 154.55 0.4150 24 O4 Os M 14 10 4 1.450 110.082 76.05 -0.5200 LOOP O6 C2 DONE 4CB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440 5 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970 6 H12 H1 E 5 4 3 1.091 110.065 46.56 0.0000 7 H11 H1 E 5 4 3 1.088 110.800 165.58 0.0000 8 O1 Oh S 5 4 3 1.447 111.733 -74.36 -0.6690 9 H1O Ho E 8 5 4 0.961 109.456 -178.60 0.4010 10 O6 Os M 4 3 2 1.480 134.325 169.15 -0.4600 11 C6 Cg M 10 4 3 1.482 117.080 144.78 0.3650 12 H6E H1 E 11 10 4 1.090 108.978 178.11 0.0000 13 H6A H1 E 11 10 4 1.091 109.532 -63.87 0.0000 14 C5 Cg M 11 10 4 1.539 109.460 57.67 0.1950 15 H5 H1 E 14 11 10 1.091 107.780 64.61 0.0000 16 O5 Oh S 14 11 10 1.457 110.279 -178.31 -0.6840 17 H5O Ho E 16 14 11 0.965 109.084 80.29 0.4150 18 C4 Cg M 14 11 10 1.549 112.024 -54.46 0.3440 19 H4 H1 E 18 14 11 1.091 108.628 172.57 0.0000 20 C3 Cg B 18 14 11 1.551 111.995 51.70 0.3170 21 H3 H1 E 20 18 14 1.091 109.680 -170.27 0.0000 22 O3 Oh S 20 18 14 1.453 106.815 73.47 -0.6970 23 H3O Ho E 22 20 18 0.968 105.774 -153.52 0.4070 24 O4 Os M 18 14 11 1.459 109.986 -70.35 -0.4750 LOOP C3 C2 DONE 4CD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840 5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700 6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000 7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000 8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880 9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140 10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820 11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000 12 O3 Oh S 10 4 3 1.460 111.917 16.34 -0.7160 13 H3O Ho E 12 10 4 0.965 109.355 -165.56 0.4320 14 C4 Cg M 10 4 3 1.638 106.495 134.41 0.3320 15 H4 H1 E 14 10 4 1.091 111.116 -136.07 0.0000 16 C5 Cg 3 14 10 4 1.621 107.987 -13.87 0.3090 17 H5 H1 E 16 14 10 1.092 110.544 126.66 0.0000 18 C6 Cg 3 16 14 10 1.538 111.506 -110.78 0.2650 19 H62 H1 E 18 16 14 1.091 109.952 69.16 0.0000 20 H61 H1 E 18 16 14 1.090 109.956 -49.70 0.0000 21 O6 Oh S 18 16 14 1.442 111.246 -169.72 -0.6640 22 H6O Ho E 21 18 16 0.960 110.855 67.48 0.4120 23 O5 Os E 16 14 10 1.584 104.926 8.85 -0.4980 24 O4 Os M 14 10 4 1.453 108.919 105.00 -0.5340 LOOP O5 C2 DONE 4CU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390 5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870 6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000 7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000 8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240 9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010 10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490 11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100 12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000 13 C6 Cg 3 11 10 4 1.529 108.415 119.08 0.2720 14 H62 H1 E 13 11 10 1.091 110.618 -56.09 0.0000 15 H61 H1 E 13 11 10 1.090 110.315 -176.31 0.0000 16 O6 Oh S 13 11 10 1.433 108.667 64.08 -0.6520 17 H6O Ho E 16 13 11 0.960 109.494 59.32 0.3970 18 C4 Cg M 11 10 4 1.622 105.503 -1.90 0.2930 19 H4 H1 E 18 11 10 1.092 112.170 133.69 0.0000 20 C3 Cg B 18 11 10 1.624 107.882 8.77 0.3330 21 H3 H1 E 20 18 11 1.091 112.343 -135.61 0.0000 22 O3 Oh S 20 18 11 1.439 105.085 106.18 -0.6910 23 H3O Ho E 22 20 18 0.960 109.418 -177.11 0.4100 24 O4 Os M 18 11 10 1.434 107.738 -106.47 -0.5260 LOOP C3 C2 DONE 4DA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980 5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000 6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460 7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000 8 O2 Oh S 6 4 3 1.458 109.515 -153.38 -0.6780 9 H2O Ho E 8 6 4 0.962 110.757 -69.34 0.4320 10 C3 Cg M 6 4 3 1.549 110.494 -31.75 0.1840 11 H3 H1 E 10 6 4 1.091 107.825 63.24 0.0000 12 O3 Oh S 10 6 4 1.459 111.377 -179.63 -0.6550 13 H3O Ho E 12 10 6 0.962 110.146 -45.63 0.4170 14 C4 Cg M 10 6 4 1.545 111.008 -55.58 0.3510 15 H4 H1 E 14 10 6 1.091 110.279 -64.03 0.0000 16 C5 Cg 3 14 10 6 1.543 110.247 57.45 0.2750 17 H5E H1 E 16 14 10 1.090 110.034 -173.80 0.0000 18 H5A H1 E 16 14 10 1.092 109.852 67.71 0.0000 19 O5 Os E 16 14 10 1.490 111.684 -52.70 -0.4870 20 O4 Os M 14 10 6 1.447 108.954 176.38 -0.4830 LOOP O5 C1 DONE 4DB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480 5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000 6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190 7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750 8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000 9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000 10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350 11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000 12 C3 Cg 3 10 7 6 1.543 111.797 -50.34 0.2010 13 H3 H1 E 12 10 7 1.092 109.081 -68.08 0.0000 14 O3 Oh S 12 10 7 1.440 109.833 173.78 -0.7010 15 H3O Ho E 14 12 10 0.960 109.476 58.38 0.4320 16 C2 Cg B 12 10 7 1.543 112.432 51.79 0.2260 17 H2 H1 E 16 12 10 1.091 110.138 -175.60 0.0000 18 O2 Oh S 16 12 10 1.446 109.378 64.40 -0.6450 19 H2O Ho E 18 16 12 0.960 109.425 -178.57 0.4150 20 O4 Os M 10 7 6 1.436 107.087 -169.38 -0.4670 LOOP C2 C1 DONE 4EA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800 5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000 6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790 7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000 8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900 9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470 10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280 11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000 12 O3 Oh S 10 6 4 1.442 106.866 75.38 -0.7140 13 H3O Ho E 12 10 6 0.960 109.461 58.71 0.4200 14 C4 Cg M 10 6 4 1.544 111.809 -45.05 0.2610 15 H4 H1 E 14 10 6 1.091 108.188 -68.68 0.0000 16 C5 Cg 3 14 10 6 1.541 113.133 51.50 0.3740 17 H5 H1 E 16 14 10 1.092 109.237 63.30 0.0000 18 C6 Cg 3 16 14 10 1.535 114.012 -174.39 0.2590 19 H62 H1 E 18 16 14 1.090 110.525 -56.55 0.0000 20 H61 H1 E 18 16 14 1.091 110.727 63.66 0.0000 21 O6 Oh S 18 16 14 1.434 108.916 -175.95 -0.6630 22 H6O Ho E 21 18 16 0.960 109.470 59.69 0.4060 23 O5 Os E 16 14 10 1.485 107.816 -54.81 -0.5870 24 O4 Os M 14 10 6 1.439 109.304 174.29 -0.5000 LOOP O5 C1 DONE 4EB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880 5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000 6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320 7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570 8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000 9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780 10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000 11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000 12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770 13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080 14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200 15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000 16 C3 Cg 3 14 7 6 1.554 111.196 -53.07 0.3150 17 H3 H1 E 16 14 7 1.091 109.198 176.72 0.0000 18 O3 Oh S 16 14 7 1.454 110.601 -64.53 -0.6810 19 H3O Ho E 18 16 14 0.965 108.397 -50.06 0.4030 20 C2 Cg B 16 14 7 1.540 111.264 55.77 0.1840 21 H2 H1 E 20 16 14 1.091 109.856 -175.33 0.0000 22 O2 Oh S 20 16 14 1.463 107.825 66.95 -0.6970 23 H2O Ho E 22 20 16 0.966 108.305 -175.24 0.4320 24 O4 Os M 14 7 6 1.457 110.564 -175.67 -0.4980 LOOP C2 C1 DONE 4FA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990 5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000 6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560 7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000 8 O2 Oh S 6 4 3 1.463 112.192 101.91 -0.8040 9 H2O Ho E 8 6 4 0.961 108.560 155.60 0.4530 10 C3 Cg M 6 4 3 1.550 109.810 -22.26 0.2280 11 H3 H1 E 10 6 4 1.091 109.256 60.66 0.0000 12 O3 Oh S 10 6 4 1.464 112.278 179.81 -0.6930 13 H3O Ho E 12 10 6 0.965 108.720 -78.93 0.4260 14 C4 Cg M 10 6 4 1.549 109.944 -58.35 0.2630 15 H4 H1 E 14 10 6 1.091 108.978 175.77 0.0000 16 C5 Cg 3 14 10 6 1.554 111.442 55.77 0.1870 17 H5 H1 E 16 14 10 1.091 107.126 67.59 0.0000 18 C6 Cg 3 16 14 10 1.531 115.122 -173.47 0.0650 19 H63 Hc E 18 16 14 1.090 111.280 -55.79 0.0000 20 H62 Hc E 18 16 14 1.091 111.136 -175.22 0.0000 21 H61 Hc E 18 16 14 1.091 112.013 64.74 0.0000 22 O5 Os E 16 14 10 1.495 111.650 -50.00 -0.4940 23 O4 Os M 14 10 6 1.452 109.204 -66.42 -0.4860 LOOP O5 C1 DONE 4FB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180 5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000 6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420 7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060 8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000 9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920 10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000 11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000 12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000 13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290 14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000 15 C3 Cg 3 13 7 6 1.542 109.625 -56.43 0.2550 16 H3 H1 E 15 13 7 1.092 107.830 -66.01 0.0000 17 O3 Oh S 15 13 7 1.440 109.284 176.95 -0.6760 18 H3O Ho E 17 15 13 0.960 109.419 178.46 0.4270 19 C2 Cg B 15 13 7 1.542 112.898 54.44 0.3460 20 H2 H1 E 19 15 13 1.092 109.972 72.13 0.0000 21 O2 Oh S 19 15 13 1.439 107.835 -168.68 -0.7650 22 H2O Ho E 21 19 15 0.960 109.418 -179.92 0.4400 23 O4 Os M 13 7 6 1.445 108.672 63.53 -0.4300 LOOP C2 C1 DONE 4GA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090 5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000 6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460 7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000 8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130 9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370 10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860 11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000 12 O3 Oh S 10 6 4 1.452 108.531 -172.18 -0.6990 13 H3O Ho E 12 10 6 0.967 107.382 -43.08 0.4270 14 C4 Cg M 10 6 4 1.547 112.114 -52.22 0.2540 15 H4 H1 E 14 10 6 1.092 109.454 -66.45 0.0000 16 C5 Cg 3 14 10 6 1.543 111.254 54.50 0.2830 17 H5 H1 E 16 14 10 1.092 108.261 65.38 0.0000 18 C6 Cg 3 16 14 10 1.546 112.538 -174.79 0.2760 19 H62 H1 E 18 16 14 1.090 110.682 -45.93 0.0000 20 H61 H1 E 18 16 14 1.091 110.014 73.31 0.0000 21 O6 Oh S 18 16 14 1.444 110.823 -165.78 -0.6820 22 H6O Ho E 21 18 16 0.960 109.735 78.35 0.4180 23 O5 Os E 16 14 10 1.500 109.539 -52.54 -0.5740 24 O4 Os M 14 10 6 1.451 108.956 174.69 -0.4680 LOOP O5 C1 DONE 4GB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840 5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000 6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710 7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250 8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000 9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820 10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000 11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000 12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880 13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240 14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760 15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000 16 C3 Cg 3 14 7 6 1.548 111.306 -54.04 0.2840 17 H3 H1 E 16 14 7 1.092 109.104 -67.30 0.0000 18 O3 Oh S 16 14 7 1.454 108.817 174.47 -0.7090 19 H3O Ho E 18 16 14 0.967 107.396 -174.95 0.4320 20 C2 Cg B 16 14 7 1.545 112.113 53.55 0.3100 21 H2 H1 E 20 16 14 1.092 109.394 68.33 0.0000 22 O2 Oh S 20 16 14 1.458 108.975 -172.91 -0.7180 23 H2O Ho E 22 20 16 0.966 108.053 175.61 0.4370 24 O4 Os M 14 7 6 1.448 108.899 -174.36 -0.4680 LOOP C2 C1 DONE 4GL INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140 5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960 6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260 7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260 8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400 9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000 10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000 11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750 12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000 13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560 14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000 15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900 16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000 17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610 18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000 19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810 20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000 21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520 22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000 23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000 24 O9 Oh S 21 19 17 1.442 110.110 -178.23 -0.6810 25 H9O Ho E 24 21 19 0.966 105.599 -41.84 0.4170 26 O8 Oh S 19 17 15 1.465 109.875 -55.42 -0.6830 27 H8O Ho E 26 19 17 0.989 111.171 71.70 0.4230 28 O7 Oh S 17 15 13 1.451 109.645 -51.18 -0.7120 29 H7O Ho E 28 17 15 0.975 109.093 67.68 0.4080 30 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040 31 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570 32 H5N H E 31 13 11 1.009 118.343 39.83 0.3120 33 C5N C B 31 13 11 1.340 123.871 -145.50 0.6520 34 CME Cg 3 33 31 13 1.585 118.309 179.32 0.2780 35 H2M H1 E 34 33 31 1.090 107.247 -134.99 0.0000 36 H1M H1 E 34 33 31 1.090 107.406 109.99 0.0000 37 OHG Oh S 34 33 31 1.456 118.581 -12.68 -0.6530 38 HOG Ho E 37 34 33 0.961 109.618 -127.32 0.3850 39 O5N O E 33 31 13 1.229 120.643 -1.25 -0.6120 40 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580 LOOP O6 C2 DONE 4HA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940 5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000 6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480 7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000 8 O2 Oh S 6 4 3 1.456 109.547 -146.01 -0.6700 9 H2O Ho E 8 6 4 0.965 106.818 171.13 0.4210 10 C3 Cg M 6 4 3 1.545 110.654 -24.92 0.2360 11 H3 H1 E 10 6 4 1.092 108.370 66.81 0.0000 12 O3 Oh S 10 6 4 1.452 109.719 -175.81 -0.6490 13 H3O Ho E 12 10 6 0.965 106.808 176.43 0.4250 14 C4 Cg M 10 6 4 1.545 112.380 -53.49 0.1870 15 H4 H1 E 14 10 6 1.091 109.690 -65.16 0.0000 16 C5 Cg 3 14 10 6 1.549 110.317 55.89 0.2790 17 H5 H1 E 16 14 10 1.092 108.902 66.22 0.0000 18 C6 Cg 3 16 14 10 1.530 113.869 -172.74 0.0230 19 H63 Hc E 18 16 14 1.090 111.509 -61.06 0.0000 20 H62 Hc E 18 16 14 1.091 111.314 179.43 0.0000 21 H61 Hc E 18 16 14 1.091 111.668 59.25 0.0000 22 O5 Os E 16 14 10 1.486 110.695 -52.49 -0.4610 23 O4 Os M 14 10 6 1.456 108.727 175.97 -0.4330 LOOP O5 C1 DONE 4HB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810 5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000 6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270 7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720 8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000 9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390 10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000 11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000 12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000 13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880 14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000 15 C3 Cg 3 13 7 6 1.543 112.131 -48.94 0.1820 16 H3 H1 E 15 13 7 1.092 109.049 -68.66 0.0000 17 O3 Oh S 15 13 7 1.440 109.818 173.25 -0.6650 18 H3O Ho E 17 15 13 0.960 109.425 57.73 0.4180 19 C2 Cg B 15 13 7 1.542 112.684 51.25 0.2430 20 H2 H1 E 19 15 13 1.091 110.140 -175.78 0.0000 21 O2 Oh S 19 15 13 1.446 109.350 64.20 -0.6730 22 H2O Ho E 21 19 15 0.960 109.408 59.77 0.4320 23 O4 Os M 13 7 6 1.438 107.632 -167.68 -0.4900 LOOP C2 C1 DONE 4JA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140 5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100 6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000 7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000 8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560 9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050 10 C3 Cg M 4 3 2 1.561 108.078 4.40 0.2710 11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000 12 O3 Oh S 10 4 3 1.458 110.234 89.20 -0.6540 13 H3O Ho E 12 10 4 0.966 107.634 165.84 0.4250 14 C4 Cg M 10 4 3 1.550 111.054 -149.95 0.2810 15 H4 H1 E 14 10 4 1.091 108.892 64.55 0.0000 16 C5 Cg 3 14 10 4 1.547 111.417 -55.51 0.2730 17 H5 H1 E 16 14 10 1.091 109.946 -64.34 0.0000 18 C6 Cg 3 16 14 10 1.541 110.532 56.44 0.3680 19 H6E H1 E 18 16 14 1.090 110.023 -172.59 0.0000 20 H6A H1 E 18 16 14 1.091 109.951 68.78 0.0000 21 O6 Os E 18 16 14 1.489 111.422 -51.66 -0.5040 22 O5 Oh S 16 14 10 1.453 109.662 176.22 -0.6990 23 H5O Ho E 22 16 14 0.965 108.090 56.66 0.4190 24 O4 Os M 14 10 4 1.460 109.496 -177.99 -0.4530 LOOP O6 C2 DONE 4JB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130 5 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800 6 H12 H1 E 5 4 3 1.091 109.821 33.19 0.0000 7 H11 H1 E 5 4 3 1.089 110.419 151.32 0.0000 8 O1 Oh S 5 4 3 1.444 112.820 -88.26 -0.7220 9 H1O Ho E 8 5 4 0.965 107.671 41.74 0.4320 10 O6 Os M 4 3 2 1.484 136.913 168.93 -0.5510 11 C6 Cg M 10 4 3 1.484 117.065 151.25 0.2920 12 H6E H1 E 11 10 4 1.090 109.046 175.12 0.0000 13 H6A H1 E 11 10 4 1.091 108.728 -67.49 0.0000 14 C5 Cg M 11 10 4 1.547 111.063 53.76 0.3740 15 H5 H1 E 14 11 10 1.091 108.987 71.66 0.0000 16 O5 Oh S 14 11 10 1.455 109.300 -169.66 -0.7290 17 H5O Ho E 16 14 11 0.962 111.074 52.54 0.4260 18 C4 Cg M 14 11 10 1.550 111.895 -49.63 0.1550 19 H4 H1 E 18 14 11 1.090 108.402 -67.51 0.0000 20 C3 Cg B 18 14 11 1.551 111.966 52.01 0.3630 21 H3 H1 E 20 18 14 1.091 109.562 -175.27 0.0000 22 O3 Oh S 20 18 14 1.461 107.359 67.28 -0.7250 23 H3O Ho E 22 20 18 0.967 106.570 50.21 0.4320 24 O4 Os M 18 14 11 1.459 110.935 175.25 -0.4400 LOOP C3 C2 DONE 4JD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920 5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890 6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000 7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000 8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540 9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800 10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930 11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000 12 O3 Oh S 10 4 3 1.455 110.333 22.08 -0.7480 13 H3O Ho E 12 10 4 0.969 106.278 138.38 0.4460 14 C4 Cg M 10 4 3 1.642 105.965 138.66 0.2330 15 H4 H1 E 14 10 4 1.090 107.367 95.04 0.0000 16 C5 Cg 3 14 10 4 1.625 107.375 -19.81 0.1900 17 H5 H1 E 16 14 10 1.091 108.940 130.16 0.0000 18 C6 Cg 3 16 14 10 1.542 114.908 -106.54 0.3400 19 H62 H1 E 18 16 14 1.090 110.250 66.65 0.0000 20 H61 H1 E 18 16 14 1.090 110.186 -52.85 0.0000 21 O6 Oh S 18 16 14 1.441 110.517 -172.30 -0.7250 22 H6O Ho E 21 18 16 0.959 110.296 58.30 0.4250 23 O5 Os E 16 14 10 1.585 104.597 13.44 -0.4100 24 O4 Os M 14 10 4 1.458 113.311 -146.22 -0.4510 LOOP O5 C2 DONE 4JU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510 5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330 6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000 7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000 8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970 9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150 10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890 11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000 12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000 13 C6 Cg 3 11 10 4 1.537 108.498 118.12 0.3490 14 H62 H1 E 13 11 10 1.089 110.316 -54.99 0.0000 15 H61 H1 E 13 11 10 1.090 111.054 -175.70 0.0000 16 O6 Oh S 13 11 10 1.435 108.026 64.54 -0.6840 17 H6O Ho E 16 13 11 0.962 107.568 -44.32 0.4110 18 C4 Cg M 11 10 4 1.619 104.895 -5.59 0.2840 19 H4 H1 E 18 11 10 1.091 107.554 -103.32 0.0000 20 C3 Cg B 18 11 10 1.639 107.844 12.75 0.2230 21 H3 H1 E 20 18 11 1.090 110.597 -136.61 0.0000 22 O3 Oh S 20 18 11 1.460 109.186 103.85 -0.6710 23 H3O Ho E 22 20 18 0.971 106.808 -128.68 0.4160 24 O4 Os M 18 11 10 1.442 113.035 137.27 -0.4410 LOOP C3 C2 DONE 4KA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730 5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000 6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810 7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000 8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160 9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270 10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540 11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000 12 O3 Oh S 10 6 4 1.440 110.218 69.79 -0.7440 13 H3O Ho E 12 10 6 0.960 109.437 59.70 0.4360 14 C4 Cg M 10 6 4 1.541 111.196 -48.97 0.1960 15 H4 H1 E 14 10 6 1.091 109.723 170.85 0.0000 16 C5 Cg 3 14 10 6 1.549 113.058 48.50 0.3010 17 H5 H1 E 16 14 10 1.092 107.347 66.38 0.0000 18 C6 Cg 3 16 14 10 1.535 114.885 -173.99 0.2870 19 H62 H1 E 18 16 14 1.090 110.246 -52.70 0.0000 20 H61 H1 E 18 16 14 1.091 110.887 67.51 0.0000 21 O6 Oh S 18 16 14 1.434 108.908 -172.15 -0.6910 22 H6O Ho E 21 18 16 0.960 109.471 59.53 0.4220 23 O5 Os E 16 14 10 1.489 109.902 -50.90 -0.5400 24 O4 Os M 14 10 6 1.440 107.338 -72.13 -0.4860 LOOP O5 C1 DONE 4KB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490 5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000 6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140 7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030 8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000 9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590 10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000 11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000 12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700 13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160 14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170 15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000 16 C3 Cg 3 14 7 6 1.545 111.117 -51.77 0.2530 17 H3 H1 E 16 14 7 1.091 109.391 173.95 0.0000 18 O3 Oh S 16 14 7 1.452 107.992 -68.85 -0.7100 19 H3O Ho E 18 16 14 0.968 107.267 175.38 0.4420 20 C2 Cg B 16 14 7 1.547 111.988 52.75 0.3080 21 H2 H1 E 20 16 14 1.091 108.509 65.85 0.0000 22 O2 Oh S 20 16 14 1.462 109.337 -176.76 -0.7100 23 H2O Ho E 22 20 16 0.965 108.091 178.76 0.4260 24 O4 Os M 14 7 6 1.455 110.952 69.39 -0.4690 LOOP C2 C1 DONE 4LA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650 5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000 6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390 7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000 8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240 9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310 10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530 11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000 12 O3 Oh S 10 6 4 1.440 110.035 -174.48 -0.7010 13 H3O Ho E 12 10 6 0.960 109.438 -57.69 0.4330 14 C4 Cg M 10 6 4 1.544 111.714 -53.08 0.2040 15 H4 H1 E 14 10 6 1.091 109.766 175.51 0.0000 16 C5 Cg 3 14 10 6 1.544 110.422 54.48 0.2160 17 H5 H1 E 16 14 10 1.092 107.514 62.91 0.0000 18 C6 Cg 3 16 14 10 1.535 114.934 -177.18 0.3080 19 H62 H1 E 18 16 14 1.090 110.251 -53.15 0.0000 20 H61 H1 E 18 16 14 1.091 110.918 67.08 0.0000 21 O6 Oh S 18 16 14 1.434 108.858 -172.60 -0.6840 22 H6O Ho E 21 18 16 0.960 109.466 59.52 0.4180 23 O5 Os E 16 14 10 1.490 109.289 -54.45 -0.5270 24 O4 Os M 14 10 6 1.445 109.785 -64.95 -0.4310 LOOP O5 C1 DONE 4LB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740 5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000 6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020 7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400 8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000 9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190 10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000 11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000 12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930 13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190 14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030 15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000 16 C3 Cg 3 14 7 6 1.546 110.517 -53.62 0.2590 17 H3 H1 E 16 14 7 1.092 108.098 -64.81 0.0000 18 O3 Oh S 16 14 7 1.455 109.126 178.29 -0.6940 19 H3O Ho E 18 16 14 0.967 107.449 -176.92 0.4330 20 C2 Cg B 16 14 7 1.547 112.254 55.04 0.3570 21 H2 H1 E 20 16 14 1.092 109.716 67.43 0.0000 22 O2 Oh S 20 16 14 1.459 108.705 -173.71 -0.7260 23 H2O Ho E 22 20 16 0.965 107.724 175.67 0.4320 24 O4 Os M 14 7 6 1.449 109.628 67.34 -0.4210 LOOP C2 C1 DONE 4MA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330 5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000 6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450 7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000 8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170 9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460 10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520 11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000 12 O3 Oh S 10 6 4 1.461 109.595 -177.93 -0.6960 13 H3O Ho E 12 10 6 0.964 109.699 -74.81 0.4310 14 C4 Cg M 10 6 4 1.549 111.609 -54.79 0.3260 15 H4 H1 E 14 10 6 1.091 109.865 -64.38 0.0000 16 C5 Cg 3 14 10 6 1.546 110.605 57.15 0.2760 17 H5 H1 E 16 14 10 1.092 108.214 65.71 0.0000 18 C6 Cg 3 16 14 10 1.544 112.153 -174.59 0.2660 19 H62 H1 E 18 16 14 1.090 110.579 -46.84 0.0000 20 H61 H1 E 18 16 14 1.091 110.051 72.33 0.0000 21 O6 Oh S 18 16 14 1.444 110.952 -166.67 -0.6880 22 H6O Ho E 21 18 16 0.960 109.923 72.72 0.4220 23 O5 Os E 16 14 10 1.497 110.394 -52.31 -0.5070 24 O4 Os M 14 10 6 1.452 108.734 176.59 -0.4890 LOOP O5 C1 DONE 4MB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140 5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000 6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930 7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060 8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000 9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730 10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000 11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000 12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800 13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190 14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490 15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000 16 C3 Cg 3 14 7 6 1.553 110.419 -50.51 0.2630 17 H3 H1 E 16 14 7 1.092 108.588 -60.79 0.0000 18 O3 Oh S 16 14 7 1.457 111.995 -178.50 -0.6920 19 H3O Ho E 18 16 14 0.962 109.624 81.59 0.4300 20 C2 Cg B 16 14 7 1.547 110.623 57.43 0.2410 21 H2 H1 E 20 16 14 1.091 110.076 180.00 0.0000 22 O2 Oh S 20 16 14 1.459 110.769 59.28 -0.6640 23 H2O Ho E 22 20 16 0.964 107.524 -173.81 0.4310 24 O4 Os M 14 7 6 1.452 108.352 -170.58 -0.4970 LOOP C2 C1 DONE 4NA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780 5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000 6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280 7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000 8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680 9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150 10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300 11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000 12 O3 Oh S 10 6 4 1.445 109.604 67.22 -0.7140 13 H3O Ho E 12 10 6 0.960 109.446 176.58 0.4410 14 C4 Cg M 10 6 4 1.543 108.602 -52.73 0.1670 15 H4 H1 E 14 10 6 1.091 108.011 -66.83 0.0000 16 C5 Cg 3 14 10 6 1.545 113.659 53.52 0.4040 17 H5 H1 E 16 14 10 1.092 109.059 65.09 0.0000 18 C6 Cg 3 16 14 10 1.535 113.747 -172.97 0.2800 19 H62 H1 E 18 16 14 1.090 110.540 -56.41 0.0000 20 H61 H1 E 18 16 14 1.091 110.668 63.75 0.0000 21 O6 Oh S 18 16 14 1.434 109.011 -175.88 -0.6630 22 H6O Ho E 21 18 16 0.960 109.493 59.88 0.3960 23 O5 Os E 16 14 10 1.489 108.589 -53.11 -0.6110 24 O4 Os M 14 10 6 1.439 109.206 176.30 -0.4830 LOOP O5 C1 DONE 4NB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220 5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000 6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070 7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980 8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000 9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130 10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000 11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000 12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890 13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180 14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860 15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000 16 C3 Cg 3 14 7 6 1.546 111.303 -56.16 0.2340 17 H3 H1 E 16 14 7 1.092 109.685 177.82 0.0000 18 O3 Oh S 16 14 7 1.458 109.719 -63.09 -0.6150 19 H3O Ho E 18 16 14 0.967 107.516 169.04 0.3890 20 C2 Cg B 16 14 7 1.544 109.920 57.50 0.3010 21 H2 H1 E 20 16 14 1.093 108.226 64.66 0.0000 22 O2 Oh S 20 16 14 1.458 109.185 -178.16 -0.7030 23 H2O Ho E 22 20 16 0.966 108.382 -178.62 0.4240 24 O4 Os M 14 7 6 1.447 110.674 -178.31 -0.4710 LOOP C2 C1 DONE 4OA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050 5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000 6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130 7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000 8 O2 Oh S 6 4 3 1.464 109.237 -44.39 -0.7710 9 H2O Ho E 8 6 4 0.966 105.614 -34.97 0.4310 10 C3 Cg M 6 4 3 1.548 110.939 -166.09 0.2510 11 H3 H1 E 10 6 4 1.092 108.206 62.18 0.0000 12 O3 Oh S 10 6 4 1.460 111.666 179.27 -0.7250 13 H3O Ho E 12 10 6 0.964 107.278 -33.23 0.4160 14 C4 Cg M 10 6 4 1.551 110.284 -55.76 0.2670 15 H4 H1 E 14 10 6 1.091 109.469 -178.62 0.0000 16 C5 Cg 3 14 10 6 1.540 109.735 61.11 0.0540 17 H5 H1 E 16 14 10 1.092 108.800 60.69 0.0000 18 C6 C B 16 14 10 1.566 106.527 176.50 0.8960 19 O6A O2 E 18 16 14 1.252 116.529 -102.85 -0.8220 20 O6B O2 E 18 16 14 1.255 117.285 72.11 -0.8220 21 O5 Os E 16 14 10 1.515 109.060 -56.67 -0.4240 22 O4 Os M 14 10 6 1.455 111.597 -58.02 -0.4690 LOOP O5 C1 DONE 4OB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010 5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000 6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140 7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490 8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000 9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380 10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940 11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940 12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600 13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000 14 C3 Cg 3 12 7 6 1.548 110.856 -55.41 0.2590 15 H3 H1 E 14 12 7 1.092 108.063 -63.15 0.0000 16 O3 Oh S 14 12 7 1.466 108.667 -179.51 -0.7080 17 H3O Ho E 16 14 12 0.961 109.065 79.16 0.4040 18 C2 Cg B 14 12 7 1.553 111.733 55.81 0.3830 19 H2 H1 E 18 14 12 1.091 109.497 69.57 0.0000 20 O2 Oh S 18 14 12 1.460 110.302 -170.66 -0.7320 21 H2O Ho E 20 18 14 0.962 106.473 175.50 0.4010 22 O4 Os M 12 7 6 1.450 109.662 65.53 -0.4530 LOOP C2 C1 DONE 4PA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170 5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270 6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000 7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000 8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440 9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930 10 C3 Cg M 4 3 2 1.558 99.850 -27.83 0.1500 11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000 12 O3 Oh S 10 4 3 1.441 111.232 -41.58 -0.6650 13 H3O Ho E 12 10 4 0.960 109.411 -63.14 0.4090 14 C4 Cg M 10 4 3 1.543 115.259 -167.84 0.3940 15 H4 H1 E 14 10 4 1.091 110.047 -172.55 0.0000 16 C5 Cg 3 14 10 4 1.541 108.511 -52.13 0.1530 17 H5 H1 E 16 14 10 1.091 108.437 -65.69 0.0000 18 C6 Cg 3 16 14 10 1.536 113.177 54.52 0.3930 19 H6E H1 E 18 16 14 1.090 110.388 -174.85 0.0000 20 H6A H1 E 18 16 14 1.091 110.767 65.28 0.0000 21 O6 Os E 18 16 14 1.482 109.077 -55.00 -0.5980 22 O5 Oh S 16 14 10 1.437 110.081 176.63 -0.6930 23 H5O Ho E 22 16 14 0.960 109.495 56.94 0.4280 24 O4 Os M 14 10 4 1.445 109.700 67.72 -0.4640 LOOP O6 C2 DONE 4PB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070 5 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790 6 H12 H1 E 5 4 3 1.091 110.003 43.55 0.0000 7 H11 H1 E 5 4 3 1.088 110.382 162.11 0.0000 8 O1 Oh S 5 4 3 1.452 112.720 -77.60 -0.7200 9 H1O Ho E 8 5 4 0.961 109.403 -178.93 0.4100 10 O6 Os M 4 3 2 1.479 135.293 168.58 -0.5400 11 C6 Cg M 10 4 3 1.483 117.190 146.77 0.3640 12 H6E H1 E 11 10 4 1.090 109.004 179.12 0.0000 13 H6A H1 E 11 10 4 1.091 109.618 -62.69 0.0000 14 C5 Cg M 11 10 4 1.540 108.996 58.93 0.1880 15 H5 H1 E 14 11 10 1.091 108.080 63.62 0.0000 16 O5 Oh S 14 11 10 1.454 110.659 -178.62 -0.7050 17 H5O Ho E 16 14 11 0.967 108.400 85.69 0.4330 18 C4 Cg M 14 11 10 1.546 111.137 -55.37 0.3280 19 H4 H1 E 18 14 11 1.091 109.097 173.70 0.0000 20 C3 Cg B 18 14 11 1.548 111.648 53.12 0.1800 21 H3 H1 E 20 18 14 1.092 106.115 68.15 0.0000 22 O3 Oh S 20 18 14 1.462 110.163 -176.47 -0.6810 23 H3O Ho E 22 20 18 0.967 108.335 -167.48 0.4220 24 O4 Os M 18 14 11 1.453 109.563 -68.11 -0.4650 LOOP C3 C2 DONE 4PD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240 5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860 6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000 7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000 8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910 9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190 10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340 11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000 12 O3 Oh S 10 4 3 1.441 114.290 -111.78 -0.6610 13 H3O Ho E 12 10 4 0.960 109.502 178.91 0.4150 14 C4 Cg M 10 4 3 1.629 107.129 121.35 0.2820 15 H4 H1 E 14 10 4 1.091 111.828 -141.87 0.0000 16 C5 Cg 3 14 10 4 1.626 106.867 -18.01 0.1940 17 H5 H1 E 16 14 10 1.092 111.109 129.12 0.0000 18 C6 Cg 3 16 14 10 1.529 112.801 -107.47 0.2910 19 H62 H1 E 18 16 14 1.091 110.695 60.83 0.0000 20 H61 H1 E 18 16 14 1.090 110.281 -59.44 0.0000 21 O6 Oh S 18 16 14 1.433 108.604 -178.96 -0.6950 22 H6O Ho E 21 18 16 0.960 109.454 59.02 0.4110 23 O5 Os E 16 14 10 1.580 105.532 10.85 -0.4530 24 O4 Os M 14 10 4 1.437 109.593 96.29 -0.4560 LOOP O5 C2 DONE 4PU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880 5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650 6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000 7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000 8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870 9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180 10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800 11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690 12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000 13 C6 Cg 3 11 10 4 1.529 108.414 112.31 0.2150 14 H62 H1 E 13 11 10 1.091 110.659 -56.54 0.0000 15 H61 H1 E 13 11 10 1.090 110.301 -176.80 0.0000 16 O6 Oh S 13 11 10 1.433 108.649 63.62 -0.6780 17 H6O Ho E 16 13 11 0.960 109.500 58.51 0.4210 18 C4 Cg M 11 10 4 1.623 105.494 -8.76 0.1920 19 H4 H1 E 18 11 10 1.091 112.074 133.66 0.0000 20 C3 Cg B 18 11 10 1.631 107.338 11.41 0.3340 21 H3 H1 E 20 18 11 1.091 107.070 107.51 0.0000 22 O3 Oh S 20 18 11 1.441 112.809 -134.73 -0.7140 23 H3O Ho E 22 20 18 0.960 109.493 -55.92 0.4240 24 O4 Os M 18 11 10 1.438 106.122 -107.17 -0.4670 LOOP C3 C2 DONE 4QA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650 5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000 6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810 7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000 8 O2 Oh S 6 4 3 1.464 109.956 96.40 -0.6950 9 H2O Ho E 8 6 4 0.963 109.360 -58.41 0.4220 10 C3 Cg M 6 4 3 1.550 110.755 -28.22 0.3120 11 H3 H1 E 10 6 4 1.092 109.248 69.54 0.0000 12 O3 Oh S 10 6 4 1.451 110.060 -171.22 -0.6970 13 H3O Ho E 12 10 6 0.963 107.525 178.74 0.4240 14 C4 Cg M 10 6 4 1.550 112.115 -52.01 0.2080 15 H4 H1 E 14 10 6 1.092 109.113 -67.92 0.0000 16 C5 Cg 3 14 10 6 1.546 111.848 52.85 0.2340 17 H5 H1 E 16 14 10 1.092 108.966 67.39 0.0000 18 C6 Cg 3 16 14 10 1.531 114.081 -171.50 0.0600 19 H63 Hc E 18 16 14 1.091 111.703 58.97 0.0000 20 H62 Hc E 18 16 14 1.091 111.508 -61.39 0.0000 21 H61 Hc E 18 16 14 1.091 111.279 179.14 0.0000 22 O5 Os E 16 14 10 1.487 110.112 -51.22 -0.5590 23 O4 Os M 14 10 6 1.456 109.169 173.44 -0.4550 LOOP O5 C1 DONE 4QB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910 5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000 6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350 7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710 8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000 9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480 10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000 11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000 12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000 13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500 14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000 15 C3 Cg 3 13 7 6 1.549 111.410 -52.29 0.3000 16 H3 H1 E 15 13 7 1.092 108.988 -68.86 0.0000 17 O3 Oh S 15 13 7 1.454 108.773 173.08 -0.6890 18 H3O Ho E 17 15 13 0.966 107.391 -175.24 0.4200 19 C2 Cg B 15 13 7 1.546 112.577 52.00 0.3230 20 H2 H1 E 19 15 13 1.092 109.469 68.14 0.0000 21 O2 Oh S 19 15 13 1.460 109.130 -172.95 -0.7130 22 H2O Ho E 21 19 15 0.966 107.987 174.66 0.4200 23 O4 Os M 13 7 6 1.451 108.892 -172.72 -0.4860 LOOP C2 C1 DONE 4RA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880 5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000 6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530 7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000 8 O2 Oh S 6 4 3 1.439 110.676 -40.46 -0.7110 9 H2O Ho E 8 6 4 0.960 109.367 -64.82 0.4190 10 C3 Cg M 6 4 3 1.542 115.155 -166.91 0.3450 11 H3 H1 E 10 6 4 1.091 110.101 -172.87 0.0000 12 O3 Oh S 10 6 4 1.445 109.646 67.35 -0.7370 13 H3O Ho E 12 10 6 0.960 109.441 178.00 0.4430 14 C4 Cg M 10 6 4 1.542 108.334 -52.41 0.1220 15 H4 H1 E 14 10 6 1.091 108.377 -66.41 0.0000 16 C5 Cg 3 14 10 6 1.537 113.340 53.79 0.3770 17 H5E H1 E 16 14 10 1.090 110.366 -174.24 0.0000 18 H5A H1 E 16 14 10 1.091 110.701 65.98 0.0000 19 O5 Os E 16 14 10 1.483 109.246 -54.31 -0.5610 20 O4 Os M 14 10 6 1.437 110.093 175.95 -0.4380 LOOP O5 C1 DONE 4RB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810 5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000 6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760 7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350 8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000 9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000 10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360 11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000 12 C3 Cg 3 10 7 6 1.548 110.878 -55.20 0.2030 13 H3 H1 E 12 10 7 1.091 109.669 178.81 0.0000 14 O3 Oh S 12 10 7 1.460 108.674 -62.27 -0.6960 15 H3O Ho E 14 12 10 0.965 108.989 -56.44 0.4280 16 C2 Cg B 12 10 7 1.550 108.635 58.91 0.3850 17 H2 H1 E 16 12 10 1.092 108.039 58.75 0.0000 18 O2 Oh S 16 12 10 1.459 111.068 175.70 -0.7320 19 H2O Ho E 18 16 12 0.963 108.588 169.06 0.4140 20 O4 Os M 10 7 6 1.453 110.505 -177.82 -0.4780 LOOP C2 C1 DONE 4SA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370 5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890 6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610 7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610 8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060 9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000 10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000 11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320 12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000 13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080 14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000 15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200 16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000 17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110 18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000 19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920 20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000 21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780 22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000 23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000 24 O9 Oh S 21 19 17 1.449 111.722 -176.90 -0.6890 25 H9O Ho E 24 21 19 0.965 107.018 -49.30 0.4080 26 O8 Oh S 19 17 15 1.460 109.072 -56.72 -0.7390 27 H8O Ho E 26 19 17 0.983 110.254 72.72 0.4120 28 O7 Oh S 17 15 13 1.460 110.189 -50.14 -0.7210 29 H7O Ho E 28 17 15 0.977 109.950 68.18 0.4350 30 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030 31 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290 32 H5N H E 31 13 11 1.007 117.476 40.91 0.2800 33 C5N C B 31 13 11 1.337 123.580 -145.57 0.6320 34 CME Cg 3 33 31 13 1.541 116.316 -179.71 -0.0030 35 H3M Hc E 34 33 31 1.092 110.905 -29.98 0.0000 36 H2M Hc E 34 33 31 1.091 109.813 -150.00 0.0000 37 H1M Hc E 34 33 31 1.091 109.337 90.47 0.0000 38 O5N O E 33 31 13 1.228 122.141 -0.64 -0.5930 39 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410 LOOP O6 C2 DONE 4SB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900 5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790 6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390 7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390 8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440 9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080 10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000 11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780 12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000 13 O7 Oh S 11 9 8 1.449 109.778 78.46 -0.6560 14 H7O Ho E 13 11 9 0.974 109.644 69.17 0.3900 15 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670 16 H8 H1 E 15 11 9 1.091 109.577 68.20 0.0000 17 O8 Oh S 15 11 9 1.460 109.033 -50.18 -0.7040 18 H8O Ho E 17 15 11 0.967 107.039 66.84 0.3920 19 C9 Cg 3 15 11 9 1.547 112.389 -170.25 0.2010 20 H9S H1 E 19 15 11 1.090 110.247 -58.95 0.0000 21 H9R H1 E 19 15 11 1.091 110.087 60.19 0.0000 22 O9 Oh S 19 15 11 1.445 110.971 -179.23 -0.6720 23 H9O Ho E 22 19 15 0.965 106.904 -44.06 0.3930 24 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230 25 H5 H1 E 24 9 8 1.092 109.167 -66.57 0.0000 26 N5 Ng B 24 9 8 1.475 109.670 173.19 -0.6690 27 H5N H E 26 24 9 1.005 117.089 -78.72 0.2610 28 C5N C B 26 24 9 1.332 123.259 97.44 0.6780 29 O5N O E 28 26 24 1.226 121.725 -3.82 -0.6340 30 CME Cg 3 28 26 24 1.541 116.623 176.07 -0.0050 31 H3M Hc E 30 28 26 1.092 111.130 23.27 0.0000 32 H2M Hc E 30 28 26 1.091 109.294 -97.18 0.0000 33 H1M Hc E 30 28 26 1.091 109.699 143.39 0.0000 34 C4 Cg M 24 9 8 1.555 110.257 52.05 0.2030 35 H4 H1 E 34 24 9 1.092 108.890 66.49 0.0000 36 C3 Cg B 34 24 9 1.538 110.759 -52.78 0.1330 37 H3E Hc E 36 34 24 1.093 109.710 176.81 0.0000 38 H3A Hc E 36 34 24 1.093 108.781 -68.27 0.0000 39 O4 Os M 34 24 9 1.460 112.068 -174.46 -0.5180 LOOP C3 C2 DONE 4TA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560 5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000 6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450 7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000 8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550 9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360 10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240 11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000 12 O3 Oh S 10 6 4 1.439 110.774 -174.86 -0.6870 13 H3O Ho E 12 10 6 0.960 109.479 -54.69 0.4420 14 C4 Cg M 10 6 4 1.543 114.910 -48.48 0.4340 15 H4 H1 E 14 10 6 1.091 109.633 172.69 0.0000 16 C5 Cg 3 14 10 6 1.544 109.739 52.34 0.1570 17 H5 H1 E 16 14 10 1.092 107.463 63.77 0.0000 18 C6 Cg 3 16 14 10 1.535 114.896 -176.35 0.3040 19 H62 H1 E 18 16 14 1.090 110.263 -52.86 0.0000 20 H61 H1 E 18 16 14 1.091 110.896 67.37 0.0000 21 O6 Oh S 18 16 14 1.434 108.863 -172.31 -0.6690 22 H6O Ho E 21 18 16 0.960 109.462 59.57 0.4010 23 O5 Os E 16 14 10 1.488 109.541 -53.52 -0.4800 24 O4 Os M 14 10 6 1.443 110.261 -67.82 -0.5080 LOOP O5 C1 DONE 4TB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060 5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000 6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540 7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310 8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000 9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490 10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000 11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000 12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660 13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060 14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140 15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000 16 C3 Cg 3 14 7 6 1.547 110.218 -51.66 0.1740 17 H3 H1 E 16 14 7 1.091 106.762 -67.21 0.0000 18 O3 Oh S 16 14 7 1.439 110.707 177.22 -0.6780 19 H3O Ho E 18 16 14 0.960 109.373 -64.34 0.4250 20 C2 Cg B 16 14 7 1.545 114.890 50.96 0.3400 21 H2 H1 E 20 16 14 1.091 109.957 -172.30 0.0000 22 O2 Oh S 20 16 14 1.444 109.766 67.90 -0.6370 23 H2O Ho E 22 20 16 0.960 109.413 -178.32 0.3970 24 O4 Os M 14 7 6 1.443 108.917 69.31 -0.4070 LOOP C2 C1 DONE 4TV INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.566 98.776 -135.85 0.4700 5 H1 H1 E 4 3 2 1.090 146.791 164.00 0.0000 6 C2 Cg M 4 3 2 1.563 96.446 20.88 0.1910 7 H2 H1 E 6 4 3 1.091 108.990 87.96 0.0000 8 O2 Oh S 6 4 3 1.451 110.808 -154.07 -0.6720 9 H2O Ho E 8 6 4 0.962 109.923 -165.71 0.4250 10 C3 Cg M 6 4 3 1.535 113.371 -33.59 -0.0140 11 H32 Hc E 10 6 4 1.093 108.757 71.70 0.0000 12 H31 Hc E 10 6 4 1.093 110.603 -172.97 0.0000 13 C4 Cg M 10 6 4 1.535 111.168 -49.67 0.3020 14 H4 H1 E 13 10 6 1.091 109.450 -67.40 0.0000 15 C5 Cg 3 13 10 6 1.553 112.112 54.29 0.3010 16 H5 H1 E 15 13 10 1.092 108.905 64.83 0.0000 17 C6 Cg 3 15 13 10 1.530 113.975 -174.02 0.0070 18 H63 Hc E 17 15 13 1.091 111.485 -61.33 0.0000 19 H62 Hc E 17 15 13 1.091 111.681 59.00 0.0000 20 H61 Hc E 17 15 13 1.091 111.306 179.18 0.0000 21 O5 Os E 15 13 10 1.490 110.400 -53.80 -0.5160 22 O4 Os M 13 10 6 1.446 106.980 175.05 -0.4940 LOOP O5 C1 DONE 4Tv INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 29.383 69.065 -149.02 0.4280 5 H1 H1 E 4 3 2 1.091 126.101 64.42 0.0000 6 O5 Os M 4 3 2 1.478 96.692 -54.47 -0.4960 7 C5 Cg M 6 4 3 1.481 115.346 -169.68 0.2710 8 H5 H1 E 7 6 4 1.092 108.331 -61.04 0.0000 9 C6 Cg 3 7 6 4 1.530 107.109 -178.07 0.0170 10 H63 Hc E 9 7 6 1.091 111.734 -62.25 0.0000 11 H62 Hc E 9 7 6 1.091 111.279 57.96 0.0000 12 H61 Hc E 9 7 6 1.091 111.431 177.43 0.0000 13 C4 Cg M 7 6 4 1.544 108.725 57.81 0.2960 14 H4 H1 E 13 7 6 1.091 109.448 70.86 0.0000 15 C3 Cg 3 13 7 6 1.542 113.120 -51.10 0.0070 16 H32 Hc E 15 13 7 1.093 110.063 -70.43 0.0000 17 H31 Hc E 15 13 7 1.092 110.313 173.67 0.0000 18 C2 Cg B 15 13 7 1.538 111.976 50.24 0.2080 19 H2 H1 E 18 15 13 1.091 109.586 -173.03 0.0000 20 O2 Oh S 18 15 13 1.442 107.633 68.93 -0.6440 21 H2O Ho E 20 18 15 0.960 109.465 59.04 0.4110 22 O4 Os M 13 7 6 1.436 108.510 -170.47 -0.4980 LOOP C2 C1 DONE 4UA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630 5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000 6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590 7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000 8 O2 Oh S 6 4 3 1.469 109.784 103.84 -0.6850 9 H2O Ho E 8 6 4 0.960 110.184 68.39 0.3850 10 C3 Cg M 6 4 3 1.555 110.585 -134.12 0.4170 11 H3 H1 E 10 6 4 1.092 108.809 -73.26 0.0000 12 O3 Oh S 10 6 4 1.454 110.391 168.10 -0.7710 13 H3O Ho E 12 10 6 0.966 105.279 -166.24 0.4170 14 C4 Cg M 10 6 4 1.551 113.490 47.73 0.2230 15 H4 H1 E 14 10 6 1.092 108.495 63.78 0.0000 16 C5 Cg 3 14 10 6 1.541 110.331 -54.77 0.2320 17 H5 H1 E 16 14 10 1.091 107.517 172.11 0.0000 18 C6 C B 16 14 10 1.591 111.292 -72.79 0.6970 19 O6A O2 E 18 16 14 1.252 118.306 124.19 -0.7570 20 O6B O2 E 18 16 14 1.255 117.111 -52.87 -0.7570 21 O5 Os E 16 14 10 1.503 106.777 57.99 -0.5150 22 O4 Os M 14 10 6 1.461 110.962 -178.03 -0.5080 LOOP O5 C1 DONE 4UB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780 5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000 6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300 7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940 8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000 9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500 10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830 11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830 12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080 13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000 14 C3 Cg 3 12 7 6 1.552 112.015 52.87 0.2860 15 H3 H1 E 14 12 7 1.091 109.935 64.98 0.0000 16 O3 Oh S 14 12 7 1.460 108.958 -175.86 -0.7550 17 H3O Ho E 16 14 12 0.968 105.498 -44.40 0.4210 18 C2 Cg B 14 12 7 1.545 109.635 -56.37 0.2890 19 H2 H1 E 18 14 12 1.091 107.746 -60.80 0.0000 20 O2 Oh S 18 14 12 1.455 110.598 -177.09 -0.6800 21 H2O Ho E 20 18 14 0.964 105.470 34.40 0.4220 22 O4 Os M 12 7 6 1.456 111.691 177.10 -0.5170 LOOP C2 C1 DONE 4VA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890 5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000 6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990 7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000 8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950 9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380 10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250 11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320 12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000 13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000 14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000 15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050 16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760 17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000 18 O3 Oh S 16 6 4 1.462 112.217 -176.56 -0.6780 19 H3O Ho E 18 16 6 0.964 110.475 -57.52 0.4250 20 C4 Cg M 16 6 4 1.547 111.657 -53.80 0.3260 21 H4 H1 E 20 16 6 1.091 109.161 175.84 0.0000 22 C5 Cg 3 20 16 6 1.548 111.081 55.51 0.1120 23 H5 H1 E 22 20 16 1.091 106.814 64.45 0.0000 24 C6 Cg 3 22 20 16 1.543 114.704 -178.15 0.3620 25 H62 H1 E 24 22 20 1.090 110.167 -176.18 0.0000 26 H61 H1 E 24 22 20 1.090 109.608 -57.43 0.0000 27 O6 Oh S 24 22 20 1.435 111.052 62.92 -0.7110 28 H6O Ho E 27 24 22 0.972 106.687 -28.27 0.4240 29 O5 Os E 22 20 16 1.497 110.914 -51.89 -0.4660 30 O4 Os M 20 16 6 1.450 108.917 -66.09 -0.4530 LOOP O5 C1 DONE 4VB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050 5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000 6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080 7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360 8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000 9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530 10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000 11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000 12 O6 Oh S 9 7 6 1.436 108.896 63.69 -0.7140 13 H6O Ho E 12 9 7 0.962 107.704 -58.75 0.4270 14 C4 Cg M 7 6 4 1.544 110.300 53.58 0.2530 15 H4 H1 E 14 7 6 1.091 109.265 -173.55 0.0000 16 C3 Cg 3 14 7 6 1.544 111.265 -52.85 0.1520 17 H3 H1 E 16 14 7 1.092 108.104 -62.30 0.0000 18 O3 Oh S 16 14 7 1.462 108.677 -178.29 -0.6650 19 H3O Ho E 18 16 14 0.963 111.335 83.35 0.4150 20 C2 Cg B 16 14 7 1.558 111.369 56.32 0.5440 21 H2 H1 E 20 16 14 1.091 108.714 61.92 0.0000 22 N2 Ng B 20 16 14 1.481 110.595 -177.69 -0.6860 23 H2N H E 22 20 16 1.005 118.080 75.06 0.2540 24 C2N C B 22 20 16 1.336 122.747 -106.72 0.5860 25 O2N O E 24 22 20 1.227 122.402 0.23 -0.5640 26 CME Cg 3 24 22 20 1.543 116.272 179.61 0.0560 27 H3M Hc E 26 24 22 1.092 110.645 35.56 0.0000 28 H2M Hc E 26 24 22 1.091 109.982 155.53 0.0000 29 H1M Hc E 26 24 22 1.091 109.419 -84.79 0.0000 30 O4 Os M 14 7 6 1.445 109.653 67.69 -0.4440 LOOP C2 C1 DONE 4WA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621 5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000 6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750 7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000 8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751 9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142 10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909 11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340 12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000 13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000 14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000 15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757 16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520 17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000 18 O3 Oh S 16 6 4 1.455 110.348 -176.42 -0.6987 19 H3O Ho E 18 16 6 0.965 109.543 171.31 0.4159 20 C4 Cg M 16 6 4 1.550 112.400 -53.90 0.3213 21 H4 H1 E 20 16 6 1.091 108.333 -69.37 0.0000 22 C5 Cg 3 20 16 6 1.547 112.664 51.61 0.2421 23 H5 H1 E 22 20 16 1.092 107.873 70.23 0.0000 24 C6 Cg 3 22 20 16 1.545 113.564 -171.33 0.2995 25 H62 H1 E 24 22 20 1.090 109.575 173.73 0.0000 26 H61 H1 E 24 22 20 1.090 109.924 -68.06 0.0000 27 O6 Oh S 24 22 20 1.443 112.033 52.74 -0.6618 28 H6O Ho E 27 24 22 0.961 109.813 -82.79 0.3959 29 O5 Os E 22 20 16 1.495 111.317 -46.63 -0.5415 30 O4 Os M 20 16 6 1.458 109.485 172.59 -0.4821 LOOP O5 C1 DONE 4WB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870 5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000 6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980 7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210 8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000 9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470 10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000 11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000 12 O6 Oh S 9 7 6 1.442 110.379 57.48 -0.6630 13 H6O Ho E 12 9 7 0.962 108.929 -56.35 0.4130 14 C4 Cg M 7 6 4 1.549 109.860 56.38 0.2770 15 H4 H1 E 14 7 6 1.092 109.334 70.38 0.0000 16 C3 Cg 3 14 7 6 1.551 111.754 -50.66 0.2170 17 H3 H1 E 16 14 7 1.092 108.749 -66.35 0.0000 18 O3 Oh S 16 14 7 1.458 109.433 176.28 -0.6580 19 H3O Ho E 18 16 14 0.972 110.221 -149.04 0.4130 20 C2 Cg B 16 14 7 1.550 112.012 52.70 0.2940 21 H2 H1 E 20 16 14 1.092 107.937 -171.40 0.0000 22 N2 Ng B 20 16 14 1.485 111.811 69.61 -0.5580 23 H2N H E 22 20 16 1.007 117.378 -91.94 0.2650 24 C2N C B 22 20 16 1.337 123.528 90.12 0.5850 25 O2N O E 24 22 20 1.229 121.350 -4.57 -0.6000 26 CME Cg 3 24 22 20 1.544 116.722 177.13 0.0560 27 H3M Hc E 26 24 22 1.092 111.211 -15.23 0.0000 28 H2M Hc E 26 24 22 1.091 109.840 -135.47 0.0000 29 H1M Hc E 26 24 22 1.090 109.199 104.92 0.0000 30 O4 Os M 14 7 6 1.447 108.932 -170.99 -0.4980 LOOP C2 C1 DONE 4XA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820 5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000 6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970 7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000 8 O2 Oh S 6 4 3 1.464 111.006 90.26 -0.6560 9 H2O Ho E 8 6 4 0.967 109.241 -39.05 0.4090 10 C3 Cg M 6 4 3 1.543 111.214 -33.26 0.3590 11 H3 H1 E 10 6 4 1.092 109.408 69.19 0.0000 12 O3 Oh S 10 6 4 1.451 108.116 -172.55 -0.7120 13 H3O Ho E 12 10 6 0.966 107.240 -43.40 0.4210 14 C4 Cg M 10 6 4 1.547 112.192 -52.80 0.2470 15 H4 H1 E 14 10 6 1.091 109.623 -66.19 0.0000 16 C5 Cg 3 14 10 6 1.539 110.634 53.97 0.3350 17 H5E H1 E 16 14 10 1.090 109.984 -172.58 0.0000 18 H5A H1 E 16 14 10 1.091 110.140 68.68 0.0000 19 O5 Os E 16 14 10 1.489 111.025 -51.97 -0.5880 20 O4 Os M 14 10 6 1.453 110.240 174.10 -0.4940 LOOP O5 C1 DONE 4XB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480 5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000 6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470 7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030 8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000 9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000 10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860 11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000 12 C3 Cg 3 10 7 6 1.546 111.571 -54.26 0.2280 13 H3 H1 E 12 10 7 1.092 109.010 -67.31 0.0000 14 O3 Oh S 12 10 7 1.458 108.945 174.50 -0.6820 15 H3O Ho E 14 12 10 0.967 108.169 -177.96 0.4270 16 C2 Cg B 12 10 7 1.547 111.370 53.00 0.4250 17 H2 H1 E 16 12 10 1.092 109.571 69.62 0.0000 18 O2 Oh S 16 12 10 1.452 108.733 -171.44 -0.6990 19 H2O Ho E 18 16 12 0.965 106.939 170.97 0.3980 20 O4 Os M 10 7 6 1.447 108.470 -174.60 -0.4870 LOOP C2 C1 DONE 4YA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680 5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000 6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450 7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000 8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880 11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630 12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000 13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000 14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000 15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790 16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 18 O3 Oh S 16 6 4 1.457 109.988 -171.07 -0.6300 19 H3O Ho E 18 16 6 0.977 109.893 -12.80 0.4130 20 C4 Cg M 16 6 4 1.546 112.211 -50.71 0.3220 21 H4 H1 E 20 16 6 1.091 108.977 -70.26 0.0000 22 C5 Cg 3 20 16 6 1.544 112.523 51.74 0.2460 23 H5 H1 E 22 20 16 1.092 108.088 68.11 0.0000 24 C6 Cg 3 22 20 16 1.544 112.817 -173.43 0.3280 25 H62 H1 E 24 22 20 1.090 110.073 -62.63 0.0000 26 H61 H1 E 24 22 20 1.090 109.603 179.01 0.0000 27 O6 Oh S 24 22 20 1.444 111.701 58.39 -0.6880 28 H6O Ho E 27 24 22 0.960 109.460 179.56 0.4210 29 O5 Os E 22 20 16 1.500 111.305 -49.14 -0.5680 30 O4 Os M 20 16 6 1.448 107.905 171.55 -0.4780 LOOP O5 C1 DONE 4YB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870 5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000 6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330 7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080 8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000 9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890 10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000 11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000 12 O6 Oh S 9 7 6 1.439 109.712 58.17 -0.6890 13 H6O Ho E 12 9 7 0.961 108.379 -54.80 0.4240 14 C4 Cg M 7 6 4 1.542 108.679 57.57 0.3020 15 H4 H1 E 14 7 6 1.092 109.552 66.23 0.0000 16 C3 Cg 3 14 7 6 1.547 111.743 -55.34 0.1800 17 H3 H1 E 16 14 7 1.092 108.855 -63.61 0.0000 18 O3 Oh S 16 14 7 1.462 108.350 179.31 -0.6810 19 H3O Ho E 18 16 14 0.964 110.728 170.98 0.4230 20 C2 Cg B 16 14 7 1.555 110.847 55.82 0.4800 21 H2 H1 E 20 16 14 1.092 108.016 63.51 0.0000 22 N2 Ng B 20 16 14 1.484 110.897 -176.40 -0.7220 23 H2N H E 22 20 16 1.006 117.592 78.54 0.3000 24 C2N C B 22 20 16 1.336 123.143 -111.93 0.6480 25 O2N O E 24 22 20 1.226 122.116 6.61 -0.5760 26 CME Cg 3 24 22 20 1.542 116.434 -175.43 0.0340 27 H3M Hc E 26 24 22 1.092 110.630 37.74 0.0000 28 H2M Hc E 26 24 22 1.091 110.076 157.79 0.0000 29 H1M Hc E 26 24 22 1.091 109.335 -82.58 0.0000 30 O4 Os M 14 7 6 1.444 108.611 -175.00 -0.4740 LOOP C2 C1 DONE 4ZA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980 5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000 6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260 7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000 8 O2 Oh S 6 4 3 1.467 110.139 -42.45 -0.7320 9 H2O Ho E 8 6 4 0.965 107.076 -40.93 0.4060 10 C3 Cg M 6 4 3 1.547 112.398 -166.09 0.3000 11 H3 H1 E 10 6 4 1.092 108.680 71.61 0.0000 12 O3 Oh S 10 6 4 1.458 107.208 -171.22 -0.7430 13 H3O Ho E 12 10 6 0.962 107.044 -49.33 0.4390 14 C4 Cg M 10 6 4 1.555 112.948 -49.44 0.1930 15 H4 H1 E 14 10 6 1.091 109.268 -72.54 0.0000 16 C5 Cg 3 14 10 6 1.550 113.190 48.46 0.1870 17 H5 H1 E 16 14 10 1.092 106.693 67.16 0.0000 18 C6 C B 16 14 10 1.597 111.674 -179.86 0.7980 19 O6A O2 E 18 16 14 1.259 117.589 -37.92 -0.7870 20 O6B O2 E 18 16 14 1.252 118.424 145.06 -0.7870 21 O5 Os E 16 14 10 1.515 110.155 -47.11 -0.5440 22 O4 Os M 14 10 6 1.452 109.657 168.36 -0.4540 LOOP O5 C1 DONE 4ZB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510 5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000 6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130 7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750 8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000 9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930 10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180 11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180 12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670 13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000 14 C3 Cg 3 12 7 6 1.552 113.280 -51.87 0.2660 15 H3 H1 E 14 12 7 1.092 108.760 -69.98 0.0000 16 O3 Oh S 14 12 7 1.459 107.412 172.72 -0.7010 17 H3O Ho E 16 14 12 0.966 105.666 48.32 0.4030 18 C2 Cg B 14 12 7 1.551 112.291 50.40 0.4110 19 H2 H1 E 18 14 12 1.092 109.200 71.99 0.0000 20 O2 Oh S 18 14 12 1.458 111.055 -168.01 -0.7400 21 H2O Ho E 20 18 14 0.962 106.072 172.93 0.4220 22 O4 Os M 12 7 6 1.449 108.907 -172.84 -0.4980 LOOP C2 C1 DONE 4aA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480 5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000 6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640 7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790 8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000 9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000 10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450 11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000 12 C3 Cg 3 10 7 6 1.543 112.944 55.64 0.3350 13 H3 H1 E 12 10 7 1.091 109.892 -174.01 0.0000 14 O3 Oh S 12 10 7 1.441 110.011 67.03 -0.7720 15 H3O Ho E 14 12 10 0.960 109.473 179.30 0.4610 16 C2 Cg B 12 10 7 1.543 111.532 -51.47 0.2680 17 H2 H1 E 16 12 10 1.092 109.910 169.41 0.0000 18 O2 Oh S 16 12 10 1.437 107.286 -74.11 -0.7350 19 H2O Ho E 18 16 12 0.960 109.480 -58.08 0.4430 20 O4 Os M 10 7 6 1.437 109.023 178.50 -0.5080 LOOP C2 C1 DONE 4aB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790 5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000 6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000 7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000 8 O2 Oh S 6 4 3 1.460 111.691 -105.49 -0.7000 9 H2O Ho E 8 6 4 0.965 107.206 46.97 0.4180 10 C3 Cg M 6 4 3 1.543 109.402 134.96 0.2970 11 H3 H1 E 10 6 4 1.091 109.527 174.23 0.0000 12 O3 Oh S 10 6 4 1.454 108.942 -67.85 -0.6680 13 H3O Ho E 12 10 6 0.966 107.607 169.51 0.4070 14 C4 Cg M 10 6 4 1.551 111.469 53.21 0.2240 15 H4 H1 E 14 10 6 1.091 108.923 64.26 0.0000 16 C5 Cg 3 14 10 6 1.546 111.087 -54.81 0.3560 17 H5A H1 E 16 14 10 1.091 110.570 -66.53 0.0000 18 H5E H1 E 16 14 10 1.090 109.958 174.33 0.0000 19 O5 Os E 16 14 10 1.485 110.184 54.27 -0.5290 20 O4 Os M 14 10 6 1.458 110.429 -177.71 -0.4840 LOOP O5 C1 DONE 4bA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300 5 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280 6 H11 H1 E 5 4 3 1.090 109.813 -63.29 0.0000 7 H12 H1 E 5 4 3 1.091 110.098 55.13 0.0000 8 O1 Oh S 5 4 3 1.443 112.003 175.62 -0.6780 9 H1O Ho E 8 5 4 0.961 107.457 -73.22 0.3990 10 O6 Os M 4 3 2 1.483 117.931 41.66 -0.5070 11 C6 Cg M 10 4 3 1.491 117.309 -140.69 0.3410 12 H6A H1 E 11 10 4 1.091 108.839 69.58 0.0000 13 H6E H1 E 11 10 4 1.090 108.907 -173.08 0.0000 14 C5 Cg M 11 10 4 1.544 111.103 -51.77 0.2240 15 H5 H1 E 14 11 10 1.091 108.357 -70.02 0.0000 16 O5 Oh S 14 11 10 1.455 108.467 172.51 -0.6900 17 H5O Ho E 16 14 11 0.963 109.307 159.42 0.4290 18 C4 Cg M 14 11 10 1.550 111.673 50.56 0.3350 19 H4 H1 E 18 14 11 1.092 110.207 65.56 0.0000 20 C3 Cg B 18 14 11 1.548 109.394 -55.39 0.3720 21 H3 H1 E 20 18 14 1.092 107.364 -59.65 0.0000 22 O3 Oh S 20 18 14 1.456 111.878 -176.69 -0.7160 23 H3O Ho E 22 20 18 0.964 107.033 43.80 0.4300 24 O4 Os M 18 14 11 1.461 109.228 -175.33 -0.4970 LOOP C3 C2 DONE 4bB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270 5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810 6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000 7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000 8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260 9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950 10 C3 Cg M 4 3 2 1.564 137.751 -159.39 0.4640 11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000 12 O3 Oh S 10 4 3 1.453 110.350 18.53 -0.7300 13 H3O Ho E 12 10 4 0.965 106.403 -56.73 0.4320 14 C4 Cg M 10 4 3 1.550 112.585 140.12 0.1080 15 H4 H1 E 14 10 4 1.092 109.044 -68.01 0.0000 16 C5 Cg 3 14 10 4 1.545 110.670 52.19 0.3400 17 H5 H1 E 16 14 10 1.091 109.543 69.26 0.0000 18 C6 Cg 3 16 14 10 1.543 112.662 -52.18 0.3110 19 H6A H1 E 18 16 14 1.091 110.545 -68.04 0.0000 20 H6E H1 E 18 16 14 1.090 110.160 172.58 0.0000 21 O6 Os E 18 16 14 1.485 109.751 52.43 -0.4770 22 O5 Oh S 16 14 10 1.444 107.942 -172.32 -0.7200 23 H5O Ho E 22 16 14 0.966 106.322 -48.08 0.4290 24 O4 Os M 14 10 4 1.460 110.433 173.08 -0.4340 LOOP O6 C2 DONE 4bD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410 5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130 6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000 7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000 8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680 9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140 10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520 11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710 12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000 13 C6 Cg 3 11 10 4 1.543 109.502 -125.08 0.2810 14 H61 H1 E 13 11 10 1.090 110.249 169.67 0.0000 15 H62 H1 E 13 11 10 1.091 109.980 50.42 0.0000 16 O6 Oh S 13 11 10 1.443 110.886 -70.57 -0.6790 17 H6O Ho E 16 13 11 0.959 110.164 -69.40 0.4110 18 C4 Cg M 11 10 4 1.626 104.732 -0.82 0.2250 19 H4 H1 E 18 11 10 1.091 107.421 106.22 0.0000 20 C3 Cg B 18 11 10 1.636 107.413 -10.45 0.4400 21 H3 H1 E 20 18 11 1.090 107.628 -98.64 0.0000 22 O3 Oh S 20 18 11 1.453 110.696 144.44 -0.7320 23 H3O Ho E 22 20 18 0.959 109.052 117.13 0.4040 24 O4 Os M 18 11 10 1.457 113.168 -134.63 -0.4690 LOOP C3 C2 DONE 4bU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470 5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990 6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000 7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000 8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270 9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820 10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820 11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000 12 O3 Oh S 10 4 3 1.455 113.678 34.22 -0.7420 13 H3O Ho E 12 10 4 0.963 108.479 -78.45 0.4260 14 C4 Cg M 10 4 3 1.637 107.249 157.15 0.2830 15 H4 H1 E 14 10 4 1.091 108.865 -102.82 0.0000 16 C5 Cg 3 14 10 4 1.624 107.577 13.45 0.2100 17 H5 H1 E 16 14 10 1.091 108.969 -127.62 0.0000 18 C6 Cg 3 16 14 10 1.541 114.994 109.54 0.3320 19 H61 H1 E 18 16 14 1.090 109.861 59.82 0.0000 20 H62 H1 E 18 16 14 1.090 110.302 -59.54 0.0000 21 O6 Oh S 18 16 14 1.442 110.695 179.56 -0.7010 22 H6O Ho E 21 18 16 0.959 110.169 -52.94 0.4090 23 O5 Os E 16 14 10 1.582 104.801 -11.31 -0.3850 24 O4 Os M 14 10 4 1.453 111.864 137.73 -0.5150 LOOP O5 C2 DONE 4cA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450 5 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860 6 H11 H1 E 5 4 3 1.091 110.132 -50.25 0.0000 7 H12 H1 E 5 4 3 1.091 109.446 67.92 0.0000 8 O1 Oh S 5 4 3 1.446 112.801 -171.35 -0.6960 9 H1O Ho E 8 5 4 0.968 106.626 -39.29 0.4020 10 O6 Os M 4 3 2 1.483 117.808 35.58 -0.6200 11 C6 Cg M 10 4 3 1.483 118.572 -140.03 0.4370 12 H6A H1 E 11 10 4 1.091 109.541 67.42 0.0000 13 H6E H1 E 11 10 4 1.090 108.752 -174.83 0.0000 14 C5 Cg M 11 10 4 1.538 109.646 -54.60 0.1950 15 H5 H1 E 14 11 10 1.091 108.701 -59.59 0.0000 16 O5 Oh S 14 11 10 1.462 111.474 -178.00 -0.7090 17 H5O Ho E 16 14 11 0.964 110.741 83.12 0.4150 18 C4 Cg M 14 11 10 1.544 109.577 58.96 0.3670 19 H4 H1 E 18 14 11 1.091 108.427 -177.56 0.0000 20 C3 Cg B 18 14 11 1.551 112.343 -57.29 0.2470 21 H3 H1 E 20 18 14 1.092 108.943 168.11 0.0000 22 O3 Oh S 20 18 14 1.466 107.388 -76.78 -0.6550 23 H3O Ho E 22 20 18 0.965 109.737 -75.75 0.4060 24 O4 Os M 18 14 11 1.450 110.035 65.74 -0.5200 LOOP C3 C2 DONE 4cB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440 5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970 6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000 7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000 8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690 9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010 10 C3 Cg M 4 3 2 1.569 136.938 -155.77 0.3170 11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000 12 O3 Oh S 10 4 3 1.453 110.172 -98.32 -0.6970 13 H3O Ho E 12 10 4 0.968 105.774 30.26 0.4070 14 C4 Cg M 10 4 3 1.551 113.143 142.19 0.3440 15 H4 H1 E 14 10 4 1.091 109.341 168.38 0.0000 16 C5 Cg 3 14 10 4 1.549 111.995 47.93 0.1950 17 H5 H1 E 16 14 10 1.091 108.324 67.05 0.0000 18 C6 Cg 3 16 14 10 1.539 112.024 -51.70 0.3650 19 H6A H1 E 18 16 14 1.091 110.698 -66.37 0.0000 20 H6E H1 E 18 16 14 1.090 110.083 174.22 0.0000 21 O6 Os E 18 16 14 1.482 109.460 54.46 -0.4600 22 O5 Oh S 16 14 10 1.457 110.756 -175.28 -0.6840 23 H5O Ho E 22 16 14 0.965 109.084 44.29 0.4150 24 O4 Os M 14 10 4 1.459 109.536 -74.38 -0.4750 LOOP O6 C2 DONE 4cD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840 5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700 6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000 7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000 8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880 9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140 10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980 11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090 12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000 13 C6 Cg 3 11 10 4 1.538 110.489 -119.98 0.2650 14 H61 H1 E 13 11 10 1.090 109.956 165.98 0.0000 15 H62 H1 E 13 11 10 1.091 109.952 47.12 0.0000 16 O6 Oh S 13 11 10 1.442 111.246 -74.00 -0.6640 17 H6O Ho E 16 13 11 0.960 110.855 -67.48 0.4120 18 C4 Cg M 11 10 4 1.621 104.926 0.33 0.3320 19 H4 H1 E 18 11 10 1.091 111.196 -131.00 0.0000 20 C3 Cg B 18 11 10 1.638 107.987 -8.85 0.2820 21 H3 H1 E 20 18 11 1.091 111.251 134.95 0.0000 22 O3 Oh S 20 18 11 1.460 108.216 -106.61 -0.7160 23 H3O Ho E 22 20 18 0.965 109.355 -77.40 0.4320 24 O4 Os M 18 11 10 1.453 109.530 109.63 -0.5340 LOOP C3 C2 DONE 4cU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390 5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870 6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000 7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000 8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240 9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010 10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330 11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000 12 O3 Oh S 10 4 3 1.439 111.311 -80.89 -0.6910 13 H3O Ho E 12 10 4 0.960 109.418 61.51 0.4100 14 C4 Cg M 10 4 3 1.624 107.103 164.76 0.2930 15 H4 H1 E 14 10 4 1.092 112.868 136.79 0.0000 16 C5 Cg 3 14 10 4 1.622 107.882 12.29 0.3100 17 H5 H1 E 16 14 10 1.092 110.981 -127.12 0.0000 18 C6 Cg 3 16 14 10 1.529 112.711 109.36 0.2720 19 H61 H1 E 18 16 14 1.090 110.315 59.90 0.0000 20 H62 H1 E 18 16 14 1.091 110.618 -60.32 0.0000 21 O6 Oh S 18 16 14 1.433 108.667 179.51 -0.6520 22 H6O Ho E 21 18 16 0.960 109.494 -59.32 0.3970 23 O5 Os E 16 14 10 1.577 105.503 -8.77 -0.4490 24 O4 Os M 14 10 4 1.434 107.032 -103.41 -0.5260 LOOP O5 C2 DONE 4dA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980 5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000 6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870 7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750 8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000 9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000 10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510 11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000 12 C3 Cg 3 10 7 6 1.545 110.247 52.70 0.1840 13 H3 H1 E 12 10 7 1.091 108.583 60.91 0.0000 14 O3 Oh S 12 10 7 1.459 110.859 178.21 -0.6550 15 H3O Ho E 14 12 10 0.962 110.146 169.76 0.4170 16 C2 Cg B 12 10 7 1.549 111.008 -57.45 0.2460 17 H2 H1 E 16 12 10 1.091 109.256 175.96 0.0000 18 O2 Oh S 16 12 10 1.458 110.247 -65.62 -0.6780 19 H2O Ho E 18 16 12 0.962 110.757 -168.88 0.4320 20 O4 Os M 10 7 6 1.447 108.472 171.92 -0.4830 LOOP C2 C1 DONE 4dB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480 5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000 6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260 7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000 8 O2 Oh S 6 4 3 1.446 108.761 21.88 -0.6450 9 H2O Ho E 8 6 4 0.960 109.425 59.50 0.4150 10 C3 Cg M 6 4 3 1.543 109.102 -97.36 0.2010 11 H3 H1 E 10 6 4 1.092 108.078 -65.99 0.0000 12 O3 Oh S 10 6 4 1.440 109.342 176.73 -0.7010 13 H3O Ho E 12 10 6 0.960 109.476 177.81 0.4320 14 C4 Cg M 10 6 4 1.543 112.432 54.46 0.3350 15 H4 H1 E 14 10 6 1.091 110.326 70.31 0.0000 16 C5 Cg 3 14 10 6 1.539 111.797 -51.79 0.2750 17 H5A H1 E 16 14 10 1.092 110.541 -69.74 0.0000 18 H5E H1 E 16 14 10 1.090 110.214 170.80 0.0000 19 O5 Os E 16 14 10 1.480 110.071 50.34 -0.5190 20 O4 Os M 14 10 6 1.436 108.765 -169.83 -0.4670 LOOP O5 C1 DONE 4eA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800 5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000 6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870 7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740 8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000 9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590 10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000 11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000 12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630 13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060 14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610 15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000 16 C3 Cg 3 14 7 6 1.544 113.133 54.81 0.3280 17 H3 H1 E 16 14 7 1.091 109.843 -174.05 0.0000 18 O3 Oh S 16 14 7 1.442 110.012 67.08 -0.7140 19 H3O Ho E 18 16 14 0.960 109.461 179.72 0.4200 20 C2 Cg B 16 14 7 1.541 111.809 -51.50 0.1790 21 H2 H1 E 20 16 14 1.092 109.967 169.74 0.0000 22 O2 Oh S 20 16 14 1.437 107.327 -73.67 -0.6900 23 H2O Ho E 22 20 16 0.960 109.486 -178.36 0.4470 24 O4 Os M 14 7 6 1.439 109.886 177.28 -0.5000 LOOP C2 C1 DONE 4eB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880 5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000 6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840 7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000 8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970 9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320 10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150 11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000 12 O3 Oh S 10 6 4 1.454 108.210 -66.23 -0.6810 13 H3O Ho E 12 10 6 0.965 108.397 172.17 0.4030 14 C4 Cg M 10 6 4 1.554 111.264 55.47 0.3200 15 H4 H1 E 14 10 6 1.091 108.716 63.72 0.0000 16 C5 Cg 3 14 10 6 1.549 111.196 -55.77 0.2570 17 H5 H1 E 16 14 10 1.092 109.111 -65.44 0.0000 18 C6 Cg 3 16 14 10 1.541 112.018 174.42 0.2780 19 H61 H1 E 18 16 14 1.090 110.614 60.34 0.0000 20 H62 H1 E 18 16 14 1.091 110.136 -59.38 0.0000 21 O6 Oh S 18 16 14 1.439 109.977 -179.42 -0.6770 22 H6O Ho E 21 18 16 0.962 108.042 50.79 0.4080 23 O5 Os E 16 14 10 1.501 109.730 53.07 -0.5320 24 O4 Os M 14 10 6 1.457 110.079 -178.65 -0.4980 LOOP O5 C1 DONE 4fA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990 5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000 6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940 7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870 8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000 9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650 10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000 11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000 12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000 13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630 14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000 15 C3 Cg 3 13 7 6 1.549 111.442 50.00 0.2280 16 H3 H1 E 15 13 7 1.091 108.535 63.68 0.0000 17 O3 Oh S 15 13 7 1.464 109.243 -179.40 -0.6930 18 H3O Ho E 17 15 13 0.965 108.720 -158.83 0.4260 19 C2 Cg B 15 13 7 1.550 109.944 -55.77 0.4560 20 H2 H1 E 19 15 13 1.091 109.004 -59.37 0.0000 21 O2 Oh S 19 15 13 1.463 111.178 -176.89 -0.8040 22 H2O Ho E 21 19 15 0.961 108.560 80.99 0.4530 23 O4 Os M 13 7 6 1.452 110.366 -71.52 -0.4860 LOOP C2 C1 DONE 4fB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180 5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000 6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460 7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000 8 O2 Oh S 6 4 3 1.439 107.580 32.59 -0.7650 9 H2O Ho E 8 6 4 0.960 109.418 -59.18 0.4400 10 C3 Cg M 6 4 3 1.542 111.933 150.88 0.2550 11 H3 H1 E 10 6 4 1.092 108.986 -69.25 0.0000 12 O3 Oh S 10 6 4 1.440 109.807 172.76 -0.6760 13 H3O Ho E 12 10 6 0.960 109.419 57.20 0.4270 14 C4 Cg M 10 6 4 1.542 112.898 50.54 0.2290 15 H4 H1 E 14 10 6 1.091 109.948 -175.33 0.0000 16 C5 Cg 3 14 10 6 1.543 109.625 -54.44 0.1060 17 H5 H1 E 16 14 10 1.092 108.258 -61.07 0.0000 18 C6 Cg 3 16 14 10 1.531 115.663 178.40 0.0920 19 H61 Hc E 18 16 14 1.091 111.160 177.14 0.0000 20 H62 Hc E 18 16 14 1.091 112.070 -62.71 0.0000 21 H63 Hc E 18 16 14 1.091 111.199 57.72 0.0000 22 O5 Os E 16 14 10 1.481 108.818 56.43 -0.4420 23 O4 Os M 14 10 6 1.445 109.758 64.85 -0.4300 LOOP O5 C1 DONE 4gA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090 5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000 6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740 7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830 8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000 9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760 10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000 11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000 12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820 13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180 14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540 15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000 16 C3 Cg 3 14 7 6 1.547 111.254 52.54 0.2860 17 H3 H1 E 16 14 7 1.092 109.616 66.99 0.0000 18 O3 Oh S 16 14 7 1.452 108.604 -174.42 -0.6990 19 H3O Ho E 18 16 14 0.967 107.382 165.20 0.4270 20 C2 Cg B 16 14 7 1.543 112.114 -54.50 0.2460 21 H2 H1 E 20 16 14 1.091 108.373 -65.99 0.0000 22 O2 Oh S 20 16 14 1.465 110.086 176.46 -0.7130 23 H2O Ho E 22 20 16 0.967 109.170 -83.89 0.4370 24 O4 Os M 14 7 6 1.451 108.995 172.71 -0.4680 LOOP C2 C1 DONE 4gB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840 5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000 6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100 7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000 8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180 9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370 10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840 11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000 12 O3 Oh S 10 6 4 1.454 109.219 172.60 -0.7090 13 H3O Ho E 12 10 6 0.967 107.396 52.27 0.4320 14 C4 Cg M 10 6 4 1.548 112.113 51.91 0.2760 15 H4 H1 E 14 10 6 1.092 109.378 67.39 0.0000 16 C5 Cg 3 14 10 6 1.543 111.306 -53.55 0.2250 17 H5 H1 E 16 14 10 1.092 109.126 -64.00 0.0000 18 C6 Cg 3 16 14 10 1.541 112.515 175.39 0.2820 19 H61 H1 E 18 16 14 1.090 110.609 61.43 0.0000 20 H62 H1 E 18 16 14 1.091 110.212 -58.37 0.0000 21 O6 Oh S 18 16 14 1.440 109.810 -178.39 -0.6880 22 H6O Ho E 21 18 16 0.962 108.265 53.10 0.4240 23 O5 Os E 16 14 10 1.495 108.909 54.04 -0.4710 24 O4 Os M 14 10 6 1.448 109.104 -173.75 -0.4680 LOOP O5 C1 DONE 4gL INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140 5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960 6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260 7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260 8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040 9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900 10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000 11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610 12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000 13 O7 Oh S 11 9 8 1.451 109.645 -73.49 -0.7120 14 H7O Ho E 13 11 9 0.975 109.093 -67.68 0.4080 15 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810 16 H8 H1 E 15 11 9 1.091 109.679 -63.78 0.0000 17 O8 Oh S 15 11 9 1.465 109.875 55.42 -0.6830 18 H8O Ho E 17 15 11 0.989 111.171 -71.70 0.4230 19 C9 Cg 3 15 11 9 1.546 111.802 175.39 0.2520 20 H9R H1 E 19 15 11 1.091 110.154 -61.57 0.0000 21 H9S H1 E 19 15 11 1.090 110.707 58.01 0.0000 22 O9 Oh S 19 15 11 1.442 110.110 178.23 -0.6810 23 H9O Ho E 22 19 15 0.966 105.599 41.84 0.4170 24 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560 25 H5 H1 E 24 9 8 1.092 108.644 61.52 0.0000 26 N5 Ng B 24 9 8 1.485 110.283 -178.97 -0.7570 27 H5N H E 26 24 9 1.009 118.343 81.24 0.3120 28 C5N C B 26 24 9 1.340 123.871 -93.43 0.6520 29 O5N O E 28 26 24 1.229 120.643 1.25 -0.6120 30 CME Cg 3 28 26 24 1.585 118.309 -179.32 0.2780 31 H1M H1 E 30 28 26 1.090 107.406 -109.99 0.0000 32 H2M H1 E 30 28 26 1.090 107.247 134.99 0.0000 33 OHG Oh S 30 28 26 1.456 118.581 12.68 -0.6530 34 HOG Ho E 33 30 28 0.961 109.618 127.32 0.3850 35 C4 Cg M 24 9 8 1.567 108.763 -56.16 0.3750 36 H4 H1 E 35 24 9 1.091 108.346 -69.62 0.0000 37 C3 Cg B 35 24 9 1.542 112.768 49.82 0.0400 38 H3A Hc E 37 35 24 1.094 108.648 73.23 0.0000 39 H3E Hc E 37 35 24 1.092 110.246 -171.81 0.0000 40 O4 Os M 35 24 9 1.459 111.264 172.12 -0.5580 LOOP C3 C2 DONE 4hA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940 5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000 6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610 7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790 8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000 9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230 10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000 11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000 12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000 13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870 14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000 15 C3 Cg 3 13 7 6 1.545 110.317 52.49 0.2360 16 H3 H1 E 15 13 7 1.092 108.830 64.14 0.0000 17 O3 Oh S 15 13 7 1.452 109.689 -178.23 -0.6490 18 H3O Ho E 17 15 13 0.965 106.808 -52.52 0.4250 19 C2 Cg B 15 13 7 1.545 112.380 -55.89 0.2480 20 H2 H1 E 19 15 13 1.091 109.364 174.25 0.0000 21 O2 Oh S 19 15 13 1.456 109.714 -67.50 -0.6700 22 H2O Ho E 21 19 15 0.965 106.818 -49.47 0.4210 23 O4 Os M 13 7 6 1.456 109.491 172.11 -0.4330 LOOP C2 C1 DONE 4hB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810 5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000 6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430 7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000 8 O2 Oh S 6 4 3 1.446 108.900 -29.97 -0.6730 9 H2O Ho E 8 6 4 0.960 109.408 -178.72 0.4320 10 C3 Cg M 6 4 3 1.542 108.951 -149.17 0.1820 11 H3 H1 E 10 6 4 1.092 107.999 -65.80 0.0000 12 O3 Oh S 10 6 4 1.440 109.222 177.05 -0.6650 13 H3O Ho E 12 10 6 0.960 109.425 178.23 0.4180 14 C4 Cg M 10 6 4 1.543 112.684 54.72 0.3880 15 H4 H1 E 14 10 6 1.092 109.930 71.13 0.0000 16 C5 Cg 3 14 10 6 1.547 112.131 -51.25 0.1720 17 H5 H1 E 16 14 10 1.092 109.230 -69.17 0.0000 18 C6M Cg 3 16 14 10 1.530 114.214 169.13 0.0390 19 H3M Hc E 18 16 14 1.091 111.441 61.33 0.0000 20 H2M Hc E 18 16 14 1.091 111.709 -58.98 0.0000 21 H1M Hc E 18 16 14 1.091 111.297 -179.18 0.0000 22 O5 Os E 16 14 10 1.483 109.717 48.94 -0.4270 23 O4 Os M 14 10 6 1.438 108.082 -169.72 -0.4900 LOOP O5 C1 DONE 4jA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140 5 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100 6 H11 H1 E 5 4 3 1.091 110.432 -44.43 0.0000 7 H12 H1 E 5 4 3 1.091 109.780 74.50 0.0000 8 O1 Oh S 5 4 3 1.437 111.258 -165.16 -0.6560 9 H1O Ho E 8 5 4 0.970 105.489 -31.79 0.4050 10 O6 Os M 4 3 2 1.482 115.122 42.33 -0.5040 11 C6 Cg M 10 4 3 1.489 118.583 -143.57 0.3680 12 H6A H1 E 11 10 4 1.091 108.585 71.14 0.0000 13 H6E H1 E 11 10 4 1.090 108.936 -171.67 0.0000 14 C5 Cg M 11 10 4 1.541 111.422 -50.10 0.2730 15 H5 H1 E 14 11 10 1.091 109.320 -69.49 0.0000 16 O5 Oh S 14 11 10 1.453 108.662 172.04 -0.6990 17 H5O Ho E 16 14 11 0.965 108.090 -177.58 0.4190 18 C4 Cg M 14 11 10 1.547 110.532 51.66 0.2810 19 H4 H1 E 18 14 11 1.091 108.842 63.65 0.0000 20 C3 Cg B 18 14 11 1.550 111.417 -56.44 0.2710 21 H3 H1 E 20 18 14 1.091 109.045 176.24 0.0000 22 O3 Oh S 20 18 14 1.458 108.952 -66.09 -0.6540 23 H3O Ho E 22 20 18 0.966 107.634 -43.74 0.4250 24 O4 Os M 18 14 11 1.460 110.450 -178.37 -0.4530 LOOP C3 C2 DONE 4jB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130 5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800 6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000 7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000 8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220 9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320 10 C3 Cg M 4 3 2 1.569 133.651 -166.33 0.3630 11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000 12 O3 Oh S 10 4 3 1.461 111.127 -95.90 -0.7250 13 H3O Ho E 12 10 4 0.967 106.570 -171.29 0.4320 14 C4 Cg M 10 4 3 1.551 110.614 144.95 0.1550 15 H4 H1 E 14 10 4 1.090 108.392 -65.40 0.0000 16 C5 Cg 3 14 10 4 1.550 111.966 54.12 0.3740 17 H5 H1 E 16 14 10 1.091 109.534 68.96 0.0000 18 C6 Cg 3 16 14 10 1.547 111.895 -52.01 0.2920 19 H6A H1 E 18 16 14 1.091 110.065 -70.83 0.0000 20 H6E H1 E 18 16 14 1.090 109.985 170.44 0.0000 21 O6 Os E 18 16 14 1.484 111.063 49.63 -0.5510 22 O5 Oh S 16 14 10 1.455 108.361 -172.59 -0.7290 23 H5O Ho E 22 16 14 0.962 111.074 69.64 0.4260 24 O4 Os M 14 10 4 1.459 109.947 177.92 -0.4400 LOOP O6 C2 DONE 4jD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920 5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890 6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000 7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000 8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540 9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800 10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100 11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900 12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000 13 C6 Cg 3 11 10 4 1.542 109.417 -121.68 0.3400 14 H61 H1 E 13 11 10 1.090 110.186 170.13 0.0000 15 H62 H1 E 13 11 10 1.090 110.250 50.63 0.0000 16 O6 Oh S 13 11 10 1.441 110.517 -70.42 -0.7250 17 H6O Ho E 16 13 11 0.959 110.296 -58.30 0.4250 18 C4 Cg M 11 10 4 1.625 104.597 1.92 0.2330 19 H4 H1 E 18 11 10 1.090 107.076 101.60 0.0000 20 C3 Cg B 18 11 10 1.642 107.375 -13.44 0.3930 21 H3 H1 E 20 18 11 1.091 111.073 142.12 0.0000 22 O3 Oh S 20 18 11 1.455 107.927 -98.38 -0.7480 23 H3O Ho E 22 20 18 0.969 106.278 -23.03 0.4460 24 O4 Os M 18 11 10 1.458 113.707 -139.62 -0.4510 LOOP C3 C2 DONE 4jU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510 5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330 6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000 7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000 8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970 9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150 10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230 11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000 12 O3 Oh S 10 4 3 1.460 110.322 -92.24 -0.6710 13 H3O Ho E 12 10 4 0.971 106.808 11.93 0.4160 14 C4 Cg M 10 4 3 1.639 106.529 149.37 0.2840 15 H4 H1 E 14 10 4 1.091 107.844 -100.60 0.0000 16 C5 Cg 3 14 10 4 1.619 107.844 15.28 0.1000 17 H5 H1 E 16 14 10 1.089 109.205 -129.69 0.0000 18 C6 Cg 3 16 14 10 1.537 115.282 106.51 0.3490 19 H61 H1 E 18 16 14 1.090 111.054 58.46 0.0000 20 H62 H1 E 18 16 14 1.089 110.316 -62.25 0.0000 21 O6 Oh S 18 16 14 1.435 108.026 178.22 -0.6840 22 H6O Ho E 21 18 16 0.962 107.568 44.32 0.4110 23 O5 Os E 16 14 10 1.585 104.895 -12.75 -0.3890 24 O4 Os M 14 10 4 1.442 112.118 140.35 -0.4410 LOOP O5 C2 DONE 4kA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730 5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000 6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400 7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010 8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000 9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870 10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000 11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000 12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910 13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220 14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960 15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000 16 C3 Cg 3 14 7 6 1.541 113.058 50.90 0.3540 17 H3 H1 E 16 14 7 1.091 110.148 -170.51 0.0000 18 O3 Oh S 16 14 7 1.440 107.217 72.05 -0.7440 19 H3O Ho E 18 16 14 0.960 109.437 179.14 0.4360 20 C2 Cg B 16 14 7 1.544 111.196 -48.50 0.2810 21 H2 H1 E 20 16 14 1.091 106.696 -68.80 0.0000 22 O2 Oh S 20 16 14 1.439 110.836 175.80 -0.7160 23 H2O Ho E 22 20 16 0.960 109.409 -65.65 0.4270 24 O4 Os M 14 7 6 1.440 109.315 -68.60 -0.4860 LOOP C2 C1 DONE 4kB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490 5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000 6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080 7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000 8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100 9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260 10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530 11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000 12 O3 Oh S 10 6 4 1.452 110.271 -66.88 -0.7100 13 H3O Ho E 12 10 6 0.968 107.267 -52.72 0.4420 14 C4 Cg M 10 6 4 1.545 111.988 53.40 0.2170 15 H4 H1 E 14 10 6 1.091 109.393 -172.98 0.0000 16 C5 Cg 3 14 10 6 1.553 111.117 -52.75 0.3030 17 H5 H1 E 16 14 10 1.092 107.789 -66.12 0.0000 18 C6 Cg 3 16 14 10 1.542 113.025 175.07 0.2590 19 H61 H1 E 18 16 14 1.090 110.096 53.77 0.0000 20 H62 H1 E 18 16 14 1.090 110.533 -65.83 0.0000 21 O6 Oh S 18 16 14 1.441 110.162 173.71 -0.6700 22 H6O Ho E 21 18 16 0.962 108.273 57.74 0.4160 23 O5 Os E 16 14 10 1.499 110.891 51.77 -0.5140 24 O4 Os M 14 10 6 1.455 108.780 69.68 -0.4690 LOOP O5 C1 DONE 4lA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650 5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000 6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270 7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160 8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000 9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080 10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000 11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000 12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840 13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180 14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040 15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000 16 C3 Cg 3 14 7 6 1.544 110.422 54.45 0.2530 17 H3 H1 E 16 14 7 1.091 108.559 66.00 0.0000 18 O3 Oh S 16 14 7 1.440 109.147 -176.39 -0.7010 19 H3O Ho E 18 16 14 0.960 109.438 -179.39 0.4330 20 C2 Cg B 16 14 7 1.541 111.714 -54.48 0.3390 21 H2 H1 E 20 16 14 1.091 108.995 -66.63 0.0000 22 O2 Oh S 20 16 14 1.440 110.049 175.31 -0.7240 23 H2O Ho E 22 20 16 0.960 109.415 -62.60 0.4310 24 O4 Os M 14 7 6 1.445 108.372 -65.83 -0.4310 LOOP C2 C1 DONE 4lB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740 5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000 6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570 7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000 8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260 9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320 10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590 11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000 12 O3 Oh S 10 6 4 1.455 110.815 175.60 -0.6940 13 H3O Ho E 12 10 6 0.967 107.449 52.82 0.4330 14 C4 Cg M 10 6 4 1.546 112.254 53.31 0.2030 15 H4 H1 E 14 10 6 1.091 109.260 -175.38 0.0000 16 C5 Cg 3 14 10 6 1.545 110.517 -55.04 0.1400 17 H5 H1 E 16 14 10 1.092 107.648 -63.90 0.0000 18 C6 Cg 3 16 14 10 1.539 113.155 176.88 0.3190 19 H61 H1 E 18 16 14 1.090 110.337 53.86 0.0000 20 H62 H1 E 18 16 14 1.091 110.848 -66.38 0.0000 21 O6 Oh S 18 16 14 1.437 109.027 173.44 -0.6930 22 H6O Ho E 21 18 16 0.961 107.830 58.33 0.4190 23 O5 Os E 16 14 10 1.495 110.103 53.62 -0.4020 24 O4 Os M 14 10 6 1.449 109.638 65.91 -0.4210 LOOP O5 C1 DONE 4mA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330 5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000 6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070 7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760 8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000 9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660 10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000 11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000 12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880 13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220 14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260 15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000 16 C3 Cg 3 14 7 6 1.549 110.605 52.31 0.2520 17 H3 H1 E 16 14 7 1.092 108.663 62.49 0.0000 18 O3 Oh S 16 14 7 1.461 110.813 -179.59 -0.6960 19 H3O Ho E 18 16 14 0.964 109.699 -161.58 0.4310 20 C2 Cg B 16 14 7 1.545 111.609 -57.15 0.2450 21 H2 H1 E 20 16 14 1.091 109.207 175.17 0.0000 22 O2 Oh S 20 16 14 1.459 109.731 -66.73 -0.7170 23 H2O Ho E 22 20 16 0.965 108.621 -45.43 0.4460 24 O4 Os M 14 7 6 1.452 108.824 171.70 -0.4890 LOOP C2 C1 DONE 4mB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140 5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000 6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410 7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000 8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640 9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310 10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630 11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000 12 O3 Oh S 10 6 4 1.457 110.746 -174.70 -0.6920 13 H3O Ho E 12 10 6 0.962 109.624 154.41 0.4300 14 C4 Cg M 10 6 4 1.553 110.623 60.52 0.3490 15 H4 H1 E 14 10 6 1.091 109.997 63.90 0.0000 16 C5 Cg 3 14 10 6 1.550 110.419 -57.43 0.2060 17 H5 H1 E 16 14 10 1.092 108.705 -67.76 0.0000 18 C6 Cg 3 16 14 10 1.539 111.873 172.30 0.2730 19 H61 H1 E 18 16 14 1.090 110.558 59.60 0.0000 20 H62 H1 E 18 16 14 1.091 110.262 -60.18 0.0000 21 O6 Oh S 18 16 14 1.439 109.850 179.68 -0.6800 22 H6O Ho E 21 18 16 0.962 108.414 55.86 0.4190 23 O5 Os E 16 14 10 1.498 110.843 50.51 -0.3930 24 O4 Os M 14 10 6 1.452 109.624 -176.73 -0.4970 LOOP O5 C1 DONE 4nA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780 5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000 6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110 7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040 8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000 9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800 10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000 11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000 12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630 13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960 14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670 15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000 16 C3 Cg 3 14 7 6 1.543 113.659 53.11 0.3300 17 H3 H1 E 16 14 7 1.091 110.022 -173.93 0.0000 18 O3 Oh S 16 14 7 1.445 109.798 66.31 -0.7140 19 H3O Ho E 18 16 14 0.960 109.446 64.20 0.4410 20 C2 Cg B 16 14 7 1.541 108.602 -53.52 0.2280 21 H2 H1 E 20 16 14 1.091 106.837 -65.32 0.0000 22 O2 Oh S 20 16 14 1.439 110.703 179.06 -0.6680 23 H2O Ho E 22 20 16 0.960 109.386 -64.03 0.4150 24 O4 Os M 14 7 6 1.439 109.651 175.64 -0.4830 LOOP C2 C1 DONE 4nB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220 5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000 6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010 7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000 8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030 9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240 10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340 11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000 12 O3 Oh S 10 6 4 1.458 109.599 -65.98 -0.6150 13 H3O Ho E 12 10 6 0.967 107.516 -48.26 0.3890 14 C4 Cg M 10 6 4 1.546 109.920 54.68 0.2860 15 H4 H1 E 14 10 6 1.091 108.699 62.12 0.0000 16 C5 Cg 3 14 10 6 1.547 111.303 -57.50 0.1980 17 H5 H1 E 16 14 10 1.091 109.233 -61.92 0.0000 18 C6 Cg 3 16 14 10 1.541 112.741 177.70 0.3130 19 H61 H1 E 18 16 14 1.090 110.689 61.33 0.0000 20 H62 H1 E 18 16 14 1.090 110.338 -58.85 0.0000 21 O6 Oh S 18 16 14 1.438 109.178 -178.76 -0.6890 22 H6O Ho E 21 18 16 0.962 107.694 47.58 0.4180 23 O5 Os E 16 14 10 1.500 108.536 56.16 -0.5070 24 O4 Os M 14 10 6 1.447 109.608 179.74 -0.4710 LOOP O5 C1 DONE 4oA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050 5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000 6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240 7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540 8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000 9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960 10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220 11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220 12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670 13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000 14 C3 Cg 3 12 7 6 1.551 109.735 56.67 0.2510 15 H3 H1 E 14 12 7 1.092 108.010 56.95 0.0000 16 O3 Oh S 14 12 7 1.460 111.816 174.01 -0.7250 17 H3O Ho E 16 14 12 0.964 107.278 157.34 0.4160 18 C2 Cg B 14 12 7 1.548 110.284 -61.11 0.4130 19 H2 H1 E 18 14 12 1.091 109.347 -64.48 0.0000 20 O2 Oh S 18 14 12 1.464 110.220 176.88 -0.7710 21 H2O Ho E 20 18 14 0.966 105.614 -87.16 0.4310 22 O4 Os M 12 7 6 1.455 107.562 -64.91 -0.4690 LOOP C2 C1 DONE 4oB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010 5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000 6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830 7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000 8 O2 Oh S 6 4 3 1.460 107.566 23.78 -0.7320 9 H2O Ho E 8 6 4 0.962 106.473 -54.35 0.4010 10 C3 Cg M 6 4 3 1.553 110.962 144.51 0.2590 11 H3 H1 E 10 6 4 1.092 108.228 -67.30 0.0000 12 O3 Oh S 10 6 4 1.466 112.472 174.09 -0.7080 13 H3O Ho E 12 10 6 0.961 109.065 156.60 0.4040 14 C4 Cg M 10 6 4 1.548 111.733 51.56 0.2600 15 H4 H1 E 14 10 6 1.091 108.447 -176.52 0.0000 16 C5 Cg 3 14 10 6 1.538 110.856 -55.81 0.0490 17 H5 H1 E 16 14 10 1.092 107.135 -59.52 0.0000 18 C6 C B 16 14 10 1.574 110.283 -172.73 0.8380 19 O6A O2 E 18 16 14 1.254 118.706 -136.36 -0.7940 20 O6B O2 E 18 16 14 1.256 116.247 49.13 -0.7940 21 O5 Os E 16 14 10 1.506 109.239 55.41 -0.4140 22 O4 Os M 14 10 6 1.450 109.430 65.27 -0.4530 LOOP O5 C1 DONE 4pA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170 5 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270 6 H11 H1 E 5 4 3 1.091 110.426 -89.86 0.0000 7 H12 H1 E 5 4 3 1.091 110.581 29.73 0.0000 8 O1 Oh S 5 4 3 1.436 110.176 150.08 -0.6440 9 H1O Ho E 8 5 4 0.960 109.427 -60.11 0.3930 10 O6 Os M 4 3 2 1.488 134.068 95.67 -0.5980 11 C6 Cg M 10 4 3 1.482 118.332 -161.65 0.3930 12 H6A H1 E 11 10 4 1.091 109.250 66.45 0.0000 13 H6E H1 E 11 10 4 1.090 109.091 -175.40 0.0000 14 C5 Cg M 11 10 4 1.536 109.077 -54.75 0.1530 15 H5 H1 E 14 11 10 1.091 108.321 -65.28 0.0000 16 O5 Oh S 14 11 10 1.437 108.893 177.77 -0.6930 17 H5O Ho E 16 14 11 0.960 109.495 178.45 0.4280 18 C4 Cg M 14 11 10 1.541 113.177 55.00 0.3940 19 H4 H1 E 18 14 11 1.091 110.012 -174.96 0.0000 20 C3 Cg B 18 14 11 1.543 108.511 -54.52 0.1500 21 H3 H1 E 20 18 14 1.091 106.088 -66.29 0.0000 22 O3 Oh S 20 18 14 1.441 110.125 178.95 -0.6650 23 H3O Ho E 22 20 18 0.960 109.411 -65.90 0.4090 24 O4 Os M 18 14 11 1.445 109.714 65.32 -0.4640 LOOP C3 C2 DONE 4pB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070 5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790 6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000 7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000 8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200 9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100 10 C3 Cg M 4 3 2 1.562 136.654 -159.34 0.1800 11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000 12 O3 Oh S 10 4 3 1.462 112.137 18.93 -0.6810 13 H3O Ho E 12 10 4 0.967 108.335 -65.45 0.4220 14 C4 Cg M 10 4 3 1.548 113.222 144.34 0.3280 15 H4 H1 E 14 10 4 1.091 109.035 170.62 0.0000 16 C5 Cg 3 14 10 4 1.546 111.648 50.00 0.1880 17 H5 H1 E 16 14 10 1.091 108.531 65.60 0.0000 18 C6 Cg 3 16 14 10 1.540 111.137 -53.12 0.3640 19 H6A H1 E 18 16 14 1.091 110.957 -65.43 0.0000 20 H6E H1 E 18 16 14 1.090 110.095 174.89 0.0000 21 O6 Os E 18 16 14 1.483 108.996 55.37 -0.5400 22 O5 Oh S 16 14 10 1.454 110.567 -176.42 -0.7050 23 H5O Ho E 22 16 14 0.967 108.400 37.89 0.4330 24 O4 Os M 14 10 4 1.453 109.303 -71.38 -0.4650 LOOP O6 C2 DONE 4pD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240 5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860 6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000 7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000 8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910 9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190 10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530 11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940 12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000 13 C6 Cg 3 11 10 4 1.529 108.517 -121.64 0.2910 14 H61 H1 E 13 11 10 1.090 110.281 176.00 0.0000 15 H62 H1 E 13 11 10 1.091 110.695 55.73 0.0000 16 O6 Oh S 13 11 10 1.433 108.604 -64.48 -0.6950 17 H6O Ho E 16 13 11 0.960 109.454 -59.02 0.4110 18 C4 Cg M 11 10 4 1.626 105.532 -0.49 0.2820 19 H4 H1 E 18 11 10 1.091 112.773 -134.13 0.0000 20 C3 Cg B 18 11 10 1.629 106.867 -10.85 0.3340 21 H3 H1 E 20 18 11 1.090 106.567 -97.07 0.0000 22 O3 Oh S 20 18 11 1.441 113.670 145.25 -0.6610 23 H3O Ho E 22 20 18 0.960 109.502 57.68 0.4150 24 O4 Os M 18 11 10 1.437 105.885 105.93 -0.4560 LOOP C3 C2 DONE 4pU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880 5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650 6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000 7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000 8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870 9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180 10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340 11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000 12 O3 Oh S 10 4 3 1.441 112.255 44.83 -0.7140 13 H3O Ho E 12 10 4 0.960 109.493 177.90 0.4240 14 C4 Cg M 10 4 3 1.631 107.756 169.64 0.1920 15 H4 H1 E 14 10 4 1.091 111.099 133.10 0.0000 16 C5 Cg 3 14 10 4 1.623 107.338 10.25 0.3690 17 H5 H1 E 16 14 10 1.092 111.285 -129.81 0.0000 18 C6 Cg 3 16 14 10 1.529 112.798 106.76 0.2150 19 H61 H1 E 18 16 14 1.090 110.301 60.35 0.0000 20 H62 H1 E 18 16 14 1.091 110.659 -59.91 0.0000 21 O6 Oh S 18 16 14 1.433 108.649 179.93 -0.6780 22 H6O Ho E 21 18 16 0.960 109.500 -58.51 0.4210 23 O5 Os E 16 14 10 1.576 105.494 -11.41 -0.4800 24 O4 Os M 14 10 4 1.438 110.850 -105.23 -0.4670 LOOP O5 C2 DONE 4qA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650 5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000 6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590 7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340 8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000 9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600 10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000 11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000 12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000 13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080 14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000 15 C3 Cg 3 13 7 6 1.550 111.848 51.22 0.3120 16 H3 H1 E 15 13 7 1.092 109.484 68.56 0.0000 17 O3 Oh S 15 13 7 1.451 107.191 -173.73 -0.6970 18 H3O Ho E 17 15 13 0.963 107.525 -56.57 0.4240 19 C2 Cg B 15 13 7 1.550 112.115 -52.85 0.2810 20 H2 H1 E 19 15 13 1.091 108.369 -65.92 0.0000 21 O2 Oh S 19 15 13 1.464 112.236 175.32 -0.6950 22 H2O Ho E 21 19 15 0.963 109.360 -65.35 0.4220 23 O4 Os M 13 7 6 1.456 108.902 171.97 -0.4550 LOOP C2 C1 DONE 4qB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910 5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000 6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230 7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000 8 O2 Oh S 6 4 3 1.460 110.327 25.57 -0.7130 9 H2O Ho E 8 6 4 0.966 107.987 -53.85 0.4200 10 C3 Cg M 6 4 3 1.546 109.870 145.94 0.3000 11 H3 H1 E 10 6 4 1.092 108.841 -69.08 0.0000 12 O3 Oh S 10 6 4 1.454 109.133 172.74 -0.6890 13 H3O Ho E 12 10 6 0.966 107.391 52.07 0.4200 14 C4 Cg M 10 6 4 1.549 112.577 51.86 0.2500 15 H4 H1 E 14 10 6 1.092 109.316 68.82 0.0000 16 C5 Cg 3 14 10 6 1.548 111.410 -52.00 0.2710 17 H5 H1 E 16 14 10 1.092 109.263 -66.11 0.0000 18 C6 Cg 3 16 14 10 1.530 114.065 172.27 0.0480 19 H61 Hc E 18 16 14 1.091 111.262 -178.50 0.0000 20 H62 Hc E 18 16 14 1.091 111.509 62.03 0.0000 21 H63 Hc E 18 16 14 1.091 111.710 -58.34 0.0000 22 O5 Os E 16 14 10 1.486 109.336 52.29 -0.5350 23 O4 Os M 14 10 6 1.451 109.144 -172.28 -0.4860 LOOP O5 C1 DONE 4rA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880 5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000 6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610 7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770 8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000 9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000 10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220 11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000 12 C3 Cg 3 10 7 6 1.542 113.340 54.31 0.3450 13 H3 H1 E 12 10 7 1.091 110.108 -174.25 0.0000 14 O3 Oh S 12 10 7 1.445 109.754 65.90 -0.7370 15 H3O Ho E 14 12 10 0.960 109.441 63.11 0.4430 16 C2 Cg B 12 10 7 1.542 108.334 -53.79 0.2530 17 H2 H1 E 16 12 10 1.091 106.798 -65.63 0.0000 18 O2 Oh S 16 12 10 1.439 110.674 178.86 -0.7110 19 H2O Ho E 18 16 12 0.960 109.367 -64.08 0.4190 20 O4 Os M 10 7 6 1.437 108.837 177.17 -0.4380 LOOP C2 C1 DONE 4rB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810 5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000 6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850 7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000 8 O2 Oh S 6 4 3 1.459 113.253 8.58 -0.7320 9 H2O Ho E 8 6 4 0.963 108.588 -45.68 0.4140 10 C3 Cg M 6 4 3 1.550 109.259 132.95 0.2030 11 H3 H1 E 10 6 4 1.091 109.709 178.53 0.0000 12 O3 Oh S 10 6 4 1.460 111.251 -60.93 -0.6960 13 H3O Ho E 12 10 6 0.965 108.989 176.00 0.4280 14 C4 Cg M 10 6 4 1.548 108.635 58.66 0.2360 15 H4 H1 E 14 10 6 1.091 108.914 60.36 0.0000 16 C5 Cg 3 14 10 6 1.549 110.878 -58.91 0.3350 17 H5A H1 E 16 14 10 1.091 110.751 -65.58 0.0000 18 H5E H1 E 16 14 10 1.090 110.011 175.14 0.0000 19 O5 Os E 16 14 10 1.488 109.926 55.20 -0.5760 20 O4 Os M 14 10 6 1.453 110.299 178.35 -0.4780 LOOP O5 C1 DONE 4sA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370 5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890 6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610 7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610 8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030 9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200 10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000 11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110 12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000 13 O7 Oh S 11 9 8 1.460 110.189 -74.65 -0.7210 14 H7O Ho E 13 11 9 0.977 109.950 -68.18 0.4350 15 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920 16 H8 H1 E 15 11 9 1.091 109.991 -62.63 0.0000 17 O8 Oh S 15 11 9 1.460 109.072 56.72 -0.7390 18 H8O Ho E 17 15 11 0.983 110.254 -72.72 0.4120 19 C9 Cg 3 15 11 9 1.552 112.385 175.84 0.1780 20 H9R H1 E 19 15 11 1.091 109.920 -62.24 0.0000 21 H9S H1 E 19 15 11 1.090 110.169 56.42 0.0000 22 O9 Oh S 19 15 11 1.449 111.722 176.90 -0.6890 23 H9O Ho E 22 19 15 0.965 107.018 49.30 0.4080 24 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080 25 H5 H1 E 24 9 8 1.092 108.575 62.14 0.0000 26 N5 Ng B 24 9 8 1.484 110.767 -178.16 -0.6290 27 H5N H E 26 24 9 1.007 117.476 80.00 0.2800 28 C5N C B 26 24 9 1.337 123.580 -93.52 0.6320 29 O5N O E 28 26 24 1.228 122.141 0.64 -0.5930 30 CME Cg 3 28 26 24 1.541 116.316 179.71 -0.0030 31 H1M Hc E 30 28 26 1.091 109.337 -90.47 0.0000 32 H2M Hc E 30 28 26 1.091 109.813 150.00 0.0000 33 H3M Hc E 30 28 26 1.092 110.905 29.98 0.0000 34 C4 Cg M 24 9 8 1.560 108.513 -55.53 0.3320 35 H4 H1 E 34 24 9 1.091 108.674 -70.08 0.0000 36 C3 Cg B 34 24 9 1.539 113.169 50.35 0.0060 37 H3A Hc E 36 34 24 1.094 108.947 71.64 0.0000 38 H3E Hc E 36 34 24 1.092 110.387 -172.94 0.0000 39 O4 Os M 34 24 9 1.451 110.232 171.69 -0.5410 LOOP C3 C2 DONE 4sB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900 5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790 6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390 7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390 8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330 9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000 10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000 11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030 12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000 13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230 14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000 15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080 16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000 17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780 18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000 19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670 20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000 21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010 22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000 23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000 24 O9 Oh S 21 19 17 1.445 110.971 179.23 -0.6720 25 H9O Ho E 24 21 19 0.965 106.904 44.06 0.3930 26 O8 Oh S 19 17 15 1.460 109.033 50.18 -0.7040 27 H8O Ho E 26 19 17 0.967 107.039 -66.84 0.3920 28 O7 Oh S 17 15 13 1.449 109.778 46.77 -0.6560 29 H7O Ho E 28 17 15 0.974 109.644 -69.17 0.3900 30 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440 31 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690 32 H5N H E 31 13 11 1.005 117.089 -42.64 0.2610 33 C5N C B 31 13 11 1.332 123.259 141.20 0.6780 34 CME Cg 3 33 31 13 1.541 116.623 -176.07 -0.0050 35 H1M Hc E 34 33 31 1.091 109.699 -143.39 0.0000 36 H2M Hc E 34 33 31 1.091 109.294 97.18 0.0000 37 H3M Hc E 34 33 31 1.092 111.130 -23.27 0.0000 38 O5N O E 33 31 13 1.226 121.725 3.82 -0.6340 39 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180 LOOP O6 C2 DONE 4tA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560 5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000 6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800 7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570 8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000 9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040 10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000 11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000 12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690 13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010 14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340 15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000 16 C3 Cg 3 14 7 6 1.543 109.739 53.52 0.1240 17 H3 H1 E 16 14 7 1.091 106.734 65.74 0.0000 18 O3 Oh S 16 14 7 1.439 110.707 -178.75 -0.6870 19 H3O Ho E 18 16 14 0.960 109.479 -176.63 0.4420 20 C2 Cg B 16 14 7 1.545 114.910 -52.34 0.2450 21 H2 H1 E 20 16 14 1.091 109.723 171.12 0.0000 22 O2 Oh S 20 16 14 1.440 110.347 -69.94 -0.6550 23 H2O Ho E 22 20 16 0.960 109.490 -179.95 0.4360 24 O4 Os M 14 7 6 1.443 109.067 -67.36 -0.5080 LOOP C2 C1 DONE 4tB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060 5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000 6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400 7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000 8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370 9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970 10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740 11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000 12 O3 Oh S 10 6 4 1.439 110.677 177.92 -0.6780 13 H3O Ho E 12 10 6 0.960 109.373 -64.24 0.4250 14 C4 Cg M 10 6 4 1.547 114.890 51.64 0.3140 15 H4 H1 E 14 10 6 1.091 109.570 -171.49 0.0000 16 C5 Cg 3 14 10 6 1.547 110.218 -50.96 0.0310 17 H5 H1 E 16 14 10 1.092 107.394 -65.47 0.0000 18 C6 Cg 3 16 14 10 1.535 115.137 174.64 0.3490 19 H61 H1 E 18 16 14 1.090 110.278 53.24 0.0000 20 H62 H1 E 18 16 14 1.091 110.886 -67.01 0.0000 21 O6 Oh S 18 16 14 1.434 108.837 172.73 -0.6660 22 H6O Ho E 21 18 16 0.960 109.430 59.34 0.4060 23 O5 Os E 16 14 10 1.487 109.426 51.66 -0.3540 24 O4 Os M 14 10 6 1.443 110.169 69.26 -0.4070 LOOP O5 C1 DONE 4tV INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.351 114.839 -132.95 0.4700 5 H1 H1 E 4 3 2 1.090 124.986 34.06 0.0000 6 O5 Os M 4 3 2 1.470 71.584 -66.23 -0.5160 7 C5 Cg M 6 4 3 1.490 117.436 -68.78 0.3010 8 H5 H1 E 7 6 4 1.092 108.176 67.65 0.0000 9 C6 Cg 3 7 6 4 1.530 106.823 -175.86 0.0070 10 H61 Hc E 9 7 6 1.091 111.306 -56.97 0.0000 11 H62 Hc E 9 7 6 1.091 111.681 63.21 0.0000 12 H63 Hc E 9 7 6 1.091 111.485 -176.46 0.0000 13 C4 Cg M 7 6 4 1.553 110.400 -51.43 0.3020 14 H4 H1 E 13 7 6 1.091 109.486 -67.87 0.0000 15 C3 Cg 3 13 7 6 1.535 112.112 53.80 -0.0140 16 H31 Hc E 15 13 7 1.093 110.620 -177.58 0.0000 17 H32 Hc E 15 13 7 1.093 110.093 66.30 0.0000 18 C2 Cg B 15 13 7 1.535 111.168 -54.29 0.1910 19 H2 H1 E 18 15 13 1.091 108.971 171.23 0.0000 20 O2 Oh S 18 15 13 1.451 107.118 -72.88 -0.6720 21 H2O Ho E 20 18 15 0.962 109.923 -70.16 0.4250 22 O4 Os M 13 7 6 1.446 110.075 172.75 -0.4940 LOOP C2 C1 DONE 4tv INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 42.063 124.523 -153.51 0.4280 5 H1 H1 E 4 3 2 1.091 137.718 140.13 0.0000 6 C2 Cg M 4 3 2 1.543 92.512 17.53 0.2080 7 H2 H1 E 6 4 3 1.091 110.018 85.50 0.0000 8 O2 Oh S 6 4 3 1.442 110.000 -34.21 -0.6440 9 H2O Ho E 8 6 4 0.960 109.465 -179.91 0.4110 10 C3 Cg M 6 4 3 1.538 110.852 -153.13 0.0070 11 H31 Hc E 10 6 4 1.092 110.440 174.77 0.0000 12 H32 Hc E 10 6 4 1.093 108.417 -70.21 0.0000 13 C4 Cg M 10 6 4 1.542 111.976 51.41 0.2960 14 H4 H1 E 13 10 6 1.091 109.168 71.88 0.0000 15 C5 Cg 3 13 10 6 1.544 113.120 -50.24 0.2710 16 H5 H1 E 15 13 10 1.092 109.438 -67.05 0.0000 17 C6 Cg 3 15 13 10 1.530 114.414 170.77 0.0170 18 H61 Hc E 17 15 13 1.091 111.431 62.00 0.0000 19 H62 Hc E 17 15 13 1.091 111.279 -178.53 0.0000 20 H63 Hc E 17 15 13 1.091 111.734 -58.32 0.0000 21 O5 Os E 15 13 10 1.481 108.725 51.10 -0.4960 22 O4 Os M 13 10 6 1.436 107.645 -170.11 -0.4980 LOOP O5 C1 DONE 4uA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630 5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000 6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150 7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320 8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000 9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970 10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570 11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570 12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230 13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000 14 C3 Cg 3 12 7 6 1.551 110.331 -57.99 0.4170 15 H3 H1 E 14 12 7 1.092 108.572 -66.35 0.0000 16 O3 Oh S 14 12 7 1.454 107.203 176.93 -0.7710 17 H3O Ho E 16 14 12 0.966 105.279 42.17 0.4170 18 C2 Cg B 14 12 7 1.555 113.490 54.77 0.2590 19 H2 H1 E 18 14 12 1.092 108.782 71.56 0.0000 20 O2 Oh S 18 14 12 1.469 110.384 -169.42 -0.6850 21 H2O Ho E 20 18 14 0.960 110.184 53.77 0.3850 22 O4 Os M 12 7 6 1.461 110.851 178.69 -0.5080 LOOP C2 C1 DONE 4uB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780 5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000 6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890 7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000 8 O2 Oh S 6 4 3 1.455 112.599 20.48 -0.6800 9 H2O Ho E 8 6 4 0.964 105.470 -160.22 0.4220 10 C3 Cg M 6 4 3 1.545 111.752 -104.72 0.2860 11 H3 H1 E 10 6 4 1.091 110.248 64.55 0.0000 12 O3 Oh S 10 6 4 1.460 109.228 -175.94 -0.7550 13 H3O Ho E 12 10 6 0.968 105.498 164.14 0.4210 14 C4 Cg M 10 6 4 1.552 109.635 -56.61 0.3080 15 H4 H1 E 14 10 6 1.092 107.907 -61.83 0.0000 16 C5 Cg 3 14 10 6 1.546 112.015 56.37 0.1940 17 H5 H1 E 16 14 10 1.091 107.278 -167.70 0.0000 18 C6 C B 16 14 10 1.581 111.637 77.65 0.7500 19 O6A O2 E 18 16 14 1.252 117.516 -129.70 -0.7830 20 O6B O2 E 18 16 14 1.255 117.682 48.62 -0.7830 21 O5 Os E 16 14 10 1.512 108.685 -52.87 -0.4300 22 O4 Os M 14 10 6 1.456 110.245 -178.60 -0.5170 LOOP O5 C1 DONE 4vA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890 5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000 6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660 7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120 8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000 9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620 10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000 11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000 12 O6 Oh S 9 7 6 1.435 111.052 63.47 -0.7110 13 H6O Ho E 12 9 7 0.972 106.687 28.27 0.4240 14 C4 Cg M 7 6 4 1.548 110.914 -51.03 0.3260 15 H4 H1 E 14 7 6 1.091 109.088 172.26 0.0000 16 C3 Cg 3 14 7 6 1.547 111.081 51.89 0.1760 17 H3 H1 E 16 14 7 1.091 107.961 63.63 0.0000 18 O3 Oh S 16 14 7 1.462 109.029 179.93 -0.6780 19 H3O Ho E 18 16 14 0.964 110.475 -178.25 0.4250 20 C2 Cg B 16 14 7 1.551 111.657 -55.51 0.3990 21 H2 H1 E 20 16 14 1.092 107.862 -63.61 0.0000 22 N2 Ng B 20 16 14 1.483 110.775 178.49 -0.5950 23 H2N H E 22 20 16 1.007 117.335 -40.12 0.2380 24 C2N C B 22 20 16 1.336 122.570 153.82 0.6250 25 O2N O E 24 22 20 1.227 121.897 -4.65 -0.6050 26 CME Cg 3 24 22 20 1.541 116.317 175.68 0.0320 27 H1M Hc E 26 24 22 1.091 109.644 69.76 0.0000 28 H2M Hc E 26 24 22 1.091 110.181 -170.34 0.0000 29 H3M Hc E 26 24 22 1.091 110.069 -50.52 0.0000 30 O4 Os M 14 7 6 1.450 110.237 -68.94 -0.4530 LOOP C2 C1 DONE 4vB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050 5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000 6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440 7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000 8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860 9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540 10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860 11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560 12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000 13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000 14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000 15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640 16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520 17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000 18 O3 Oh S 16 6 4 1.462 113.219 178.26 -0.6650 19 H3O Ho E 18 16 6 0.963 111.335 152.35 0.4150 20 C4 Cg M 16 6 4 1.544 111.369 55.44 0.2530 21 H4 H1 E 20 16 6 1.091 109.237 -177.04 0.0000 22 C5 Cg 3 20 16 6 1.544 111.265 -56.32 0.1360 23 H5 H1 E 22 20 16 1.092 107.572 -64.67 0.0000 24 C6 Cg 3 22 20 16 1.539 112.869 176.15 0.3530 25 H61 H1 E 24 22 20 1.091 110.331 53.32 0.0000 26 H62 H1 E 24 22 20 1.090 110.929 -67.00 0.0000 27 O6 Oh S 24 22 20 1.436 108.896 172.76 -0.7140 28 H6O Ho E 27 24 22 0.962 107.704 58.75 0.4270 29 O5 Os E 22 20 16 1.495 110.300 52.85 -0.4080 30 O4 Os M 20 16 6 1.445 108.904 64.66 -0.4440 LOOP O5 C1 DONE 4wA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621 5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000 6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415 7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421 8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000 9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995 10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000 11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000 12 O6 Oh S 9 7 6 1.443 112.033 72.71 -0.6618 13 H6O Ho E 12 9 7 0.961 109.813 82.79 0.3959 14 C4 Cg M 7 6 4 1.547 111.317 -49.02 0.3213 15 H4 H1 E 14 7 6 1.091 109.249 -73.83 0.0000 16 C3 Cg 3 14 7 6 1.550 112.664 46.63 0.2520 17 H3 H1 E 16 14 7 1.091 108.491 68.12 0.0000 18 O3 Oh S 16 14 7 1.455 109.482 -174.62 -0.6987 19 H3O Ho E 18 16 14 0.965 109.543 -47.09 0.4159 20 C2 Cg B 16 14 7 1.549 112.400 -51.61 0.2750 21 H2 H1 E 20 16 14 1.092 108.473 171.95 0.0000 22 N2 Ng B 20 16 14 1.482 111.789 -70.12 -0.4751 23 H2N H E 22 20 16 1.007 117.562 12.93 0.2142 24 C2N C B 22 20 16 1.336 123.787 -162.76 0.5909 25 O2N O E 24 22 20 1.229 122.265 -3.32 -0.5757 26 CME Cg 3 24 22 20 1.539 115.681 177.62 -0.0340 27 H1M Hc E 26 24 22 1.091 109.868 -60.00 0.0000 28 H2M Hc E 26 24 22 1.091 110.252 -179.93 0.0000 29 H3M Hc E 26 24 22 1.091 109.810 60.19 0.0000 30 O4 Os M 14 7 6 1.458 108.618 168.10 -0.4821 LOOP C2 C1 DONE 4wB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870 5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000 6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940 7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000 8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580 9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650 10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850 11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560 12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000 13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000 14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000 15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000 16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170 17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000 18 O3 Oh S 16 6 4 1.458 111.031 177.66 -0.6580 19 H3O Ho E 18 16 6 0.972 110.221 24.88 0.4130 20 C4 Cg M 16 6 4 1.551 112.012 54.98 0.2770 21 H4 H1 E 20 16 6 1.092 109.220 68.41 0.0000 22 C5 Cg 3 20 16 6 1.549 111.754 -52.70 0.3210 23 H5 H1 E 22 20 16 1.092 108.891 -67.49 0.0000 24 C6 Cg 3 22 20 16 1.542 112.546 172.10 0.2470 25 H61 H1 E 24 22 20 1.090 110.437 60.16 0.0000 26 H62 H1 E 24 22 20 1.091 110.098 -59.35 0.0000 27 O6 Oh S 24 22 20 1.442 110.379 -179.51 -0.6630 28 H6O Ho E 27 24 22 0.962 108.929 56.35 0.4130 29 O5 Os E 22 20 16 1.498 109.860 50.66 -0.4980 30 O4 Os M 20 16 6 1.447 108.869 -173.07 -0.4980 LOOP O5 C1 DONE 4xA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820 5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000 6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880 7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350 8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000 9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000 10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470 11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000 12 C3 Cg 3 10 7 6 1.547 110.634 51.97 0.3590 13 H3 H1 E 12 10 7 1.092 109.703 67.85 0.0000 14 O3 Oh S 12 10 7 1.451 108.617 -173.43 -0.7120 15 H3O Ho E 14 12 10 0.966 107.240 165.38 0.4210 16 C2 Cg B 12 10 7 1.543 112.192 -53.97 0.1970 17 H2 H1 E 16 12 10 1.091 108.478 -65.50 0.0000 18 O2 Oh S 16 12 10 1.464 110.541 176.58 -0.6560 19 H2O Ho E 18 16 12 0.967 109.241 -84.85 0.4090 20 O4 Os M 10 7 6 1.453 108.593 173.08 -0.4940 LOOP C2 C1 DONE 4xB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480 5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000 6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250 7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000 8 O2 Oh S 6 4 3 1.452 109.095 25.68 -0.6990 9 H2O Ho E 8 6 4 0.965 106.939 -49.61 0.3980 10 C3 Cg M 6 4 3 1.547 111.138 145.56 0.2280 11 H3 H1 E 10 6 4 1.092 109.005 -68.97 0.0000 12 O3 Oh S 10 6 4 1.458 109.994 172.23 -0.6820 13 H3O Ho E 12 10 6 0.967 108.169 55.63 0.4270 14 C4 Cg M 10 6 4 1.546 111.370 51.34 0.2860 15 H4 H1 E 14 10 6 1.091 109.653 67.94 0.0000 16 C5 Cg 3 14 10 6 1.541 111.571 -53.00 0.3030 17 H5A H1 E 16 14 10 1.092 110.518 -66.11 0.0000 18 H5E H1 E 16 14 10 1.090 110.176 174.39 0.0000 19 O5 Os E 16 14 10 1.482 109.795 54.26 -0.4470 20 O4 Os M 14 10 6 1.447 109.213 -172.90 -0.4870 LOOP O5 C1 DONE 4yA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680 5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000 6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680 7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460 8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000 9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280 10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000 11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000 12 O6 Oh S 9 7 6 1.444 111.701 66.58 -0.6880 13 H6O Ho E 12 9 7 0.960 109.460 -179.56 0.4210 14 C4 Cg M 7 6 4 1.544 111.305 -49.64 0.3220 15 H4 H1 E 14 7 6 1.091 109.775 -72.41 0.0000 16 C3 Cg 3 14 7 6 1.546 112.523 49.14 0.1650 17 H3 H1 E 16 14 7 1.092 109.255 68.91 0.0000 18 O3 Oh S 16 14 7 1.457 108.091 -173.19 -0.6300 19 H3O Ho E 18 16 14 0.977 109.893 135.62 0.4130 20 C2 Cg B 16 14 7 1.547 112.211 -51.74 0.2450 21 H2 H1 E 20 16 14 1.092 107.659 -66.49 0.0000 22 N2 Ng B 20 16 14 1.486 111.285 175.94 -0.5520 23 H2N H E 22 20 16 1.009 115.982 -94.71 0.2360 24 C2N C B 22 20 16 1.338 124.714 81.84 0.5880 25 O2N O E 24 22 20 1.228 121.379 -4.88 -0.5790 26 CME Cg 3 24 22 20 1.544 117.110 175.73 0.0630 27 H1M Hc E 26 24 22 1.090 109.379 118.32 0.0000 28 H2M Hc E 26 24 22 1.091 109.387 -122.31 0.0000 29 H3M Hc E 26 24 22 1.092 111.363 -2.06 0.0000 30 O4 Os M 14 7 6 1.448 108.615 168.54 -0.4780 LOOP C2 C1 DONE 4yB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870 5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000 6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800 7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000 8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220 9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000 10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480 11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340 12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000 13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000 14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000 15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760 16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800 17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000 18 O3 Oh S 16 6 4 1.462 112.173 174.68 -0.6810 19 H3O Ho E 18 16 6 0.964 110.728 66.33 0.4230 20 C4 Cg M 16 6 4 1.547 110.847 53.41 0.3020 21 H4 H1 E 20 16 6 1.092 109.529 65.76 0.0000 22 C5 Cg 3 20 16 6 1.542 111.743 -55.82 0.2080 23 H5 H1 E 22 20 16 1.092 109.079 -62.53 0.0000 24 C6 Cg 3 22 20 16 1.540 112.556 176.83 0.2890 25 H61 H1 E 24 22 20 1.090 110.526 60.82 0.0000 26 H62 H1 E 24 22 20 1.091 110.298 -59.01 0.0000 27 O6 Oh S 24 22 20 1.439 109.712 -179.18 -0.6890 28 H6O Ho E 27 24 22 0.961 108.379 54.80 0.4240 29 O5 Os E 22 20 16 1.493 108.679 55.34 -0.4330 30 O4 Os M 20 16 6 1.444 108.505 -175.54 -0.4740 LOOP O5 C1 DONE 4zA INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980 5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000 6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440 7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870 8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000 9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980 10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870 11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870 12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930 13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000 14 C3 Cg 3 12 7 6 1.555 113.190 47.11 0.3000 15 H3 H1 E 14 12 7 1.092 108.970 72.43 0.0000 16 O3 Oh S 14 12 7 1.458 110.360 -168.45 -0.7430 17 H3O Ho E 16 14 12 0.962 107.044 172.72 0.4390 18 C2 Cg B 14 12 7 1.547 112.948 -48.46 0.3260 19 H2 H1 E 18 14 12 1.091 108.371 -69.20 0.0000 20 O2 Oh S 18 14 12 1.467 110.467 172.90 -0.7320 21 H2O Ho E 20 18 14 0.965 107.076 -83.83 0.4060 22 O4 Os M 12 7 6 1.452 107.400 168.29 -0.4540 LOOP C2 C1 DONE 4zB INT 0 CORRECT OMIT DU BEG -1.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510 5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000 6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110 7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000 8 O2 Oh S 6 4 3 1.458 107.250 21.17 -0.7400 9 H2O Ho E 8 6 4 0.962 106.072 -51.06 0.4220 10 C3 Cg M 6 4 3 1.551 111.345 142.85 0.2660 11 H3 H1 E 10 6 4 1.092 108.729 -71.83 0.0000 12 O3 Oh S 10 6 4 1.459 111.009 168.82 -0.7010 13 H3O Ho E 12 10 6 0.966 105.666 -171.43 0.4030 14 C4 Cg M 10 6 4 1.552 112.291 48.56 0.2670 15 H4 H1 E 14 10 6 1.092 109.244 70.35 0.0000 16 C5 Cg 3 14 10 6 1.542 113.280 -50.40 0.0750 17 H5 H1 E 16 14 10 1.092 107.974 -63.51 0.0000 18 C6 C B 16 14 10 1.584 111.106 -178.60 0.8930 19 O6A O2 E 18 16 14 1.252 118.262 -140.20 -0.8180 20 O6B O2 E 18 16 14 1.258 117.333 41.17 -0.8180 21 O5 Os E 16 14 10 1.502 108.303 51.87 -0.4130 22 O4 Os M 14 10 6 1.449 108.610 -171.54 -0.4980 LOOP O5 C1 DONE 5AD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680 5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000 6 C2 Cg M 4 3 2 1.632 104.217 14.88 0.2780 7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000 8 O2 Oh S 6 4 3 1.459 111.670 174.46 -0.6880 9 H2O Ho E 8 6 4 0.962 111.196 52.33 0.4300 10 C3 Cg M 6 4 3 1.638 107.428 -64.48 0.3700 11 H3 H1 E 10 6 4 1.091 109.719 -115.23 0.0000 12 O3 Oh S 10 6 4 1.445 110.901 124.99 -0.7030 13 H3O Ho E 12 10 6 0.962 109.189 61.81 0.4040 14 C4 Cg M 10 6 4 1.617 107.830 4.89 0.1470 15 H4 H1 E 14 10 6 1.091 109.995 109.41 0.0000 16 O4 Os E 14 10 6 1.585 105.385 -6.88 -0.4530 17 C5 Cg M 14 10 6 1.531 113.111 -128.33 0.3380 18 H52 H1 E 17 14 10 1.090 110.286 -56.49 0.0000 19 H51 H1 E 17 14 10 1.090 110.161 -176.14 0.0000 20 O5 Os M 17 14 10 1.438 109.271 63.95 -0.4910 LOOP O4 C1 DONE 5AU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770 5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000 6 O4 Os M 4 3 2 1.559 125.393 147.34 -0.5320 7 C4 Cg M 6 4 3 1.592 113.400 -118.27 0.3270 8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000 9 C3 Cg 3 7 6 4 1.623 104.988 1.35 0.2150 10 H3 H1 E 9 7 6 1.091 109.455 110.64 0.0000 11 O3 Oh S 9 7 6 1.449 110.805 -129.50 -0.7280 12 H3O Ho E 11 9 7 0.965 109.557 -174.52 0.4370 13 C2 Cg B 9 7 6 1.636 107.636 -8.35 0.3280 14 H2 H1 E 13 9 7 1.091 108.941 -103.94 0.0000 15 O2 Oh S 13 9 7 1.456 110.454 137.54 -0.7210 16 H2O Ho E 15 13 9 0.967 108.079 -107.31 0.4170 17 C5 Cg M 7 6 4 1.536 109.955 123.86 0.2270 18 H52 H1 E 17 7 6 1.090 110.003 -58.66 0.0000 19 H51 H1 E 17 7 6 1.090 110.273 -178.18 0.0000 20 O5 Os M 17 7 6 1.440 109.976 61.40 -0.4470 LOOP C2 C1 DONE 5BA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300 5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280 6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000 7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000 8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780 9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990 10 C3 Cg M 4 3 2 1.559 106.735 7.30 0.3720 11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000 12 O3 Oh S 10 4 3 1.456 111.120 -18.72 -0.7160 13 H3O Ho E 12 10 4 0.964 107.033 -168.33 0.4300 14 C4 Cg M 10 4 3 1.548 110.877 -143.81 0.3350 15 H4 H1 E 14 10 4 1.092 109.910 62.48 0.0000 16 O4 Oh S 14 10 4 1.461 109.578 -178.37 -0.7240 17 H4O Ho E 16 14 10 0.964 108.580 -150.69 0.4210 18 C5 Cg M 14 10 4 1.550 109.394 -58.65 0.2240 19 H5 H1 E 18 14 10 1.091 109.416 -64.57 0.0000 20 C6 Cg 3 18 14 10 1.544 111.673 55.39 0.3410 21 H6E H1 E 20 18 14 1.090 110.000 -171.23 0.0000 22 H6A H1 E 20 18 14 1.091 110.069 70.07 0.0000 23 O6 Os E 20 18 14 1.491 111.103 -50.56 -0.5070 24 O5 Os M 18 14 10 1.455 110.457 176.19 -0.4550 LOOP O6 C2 DONE 5BB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270 5 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810 6 H12 H1 E 5 4 3 1.091 110.325 40.86 0.0000 7 H11 H1 E 5 4 3 1.090 110.121 159.57 0.0000 8 O1 Oh S 5 4 3 1.444 111.743 -80.01 -0.6260 9 H1O Ho E 8 5 4 0.960 109.452 179.75 0.3950 10 O6 Os M 4 3 2 1.482 134.628 169.57 -0.4770 11 C6 Cg M 10 4 3 1.485 116.916 144.77 0.3110 12 H6E H1 E 11 10 4 1.090 109.104 176.90 0.0000 13 H6A H1 E 11 10 4 1.091 109.162 -65.19 0.0000 14 C5 Cg M 11 10 4 1.543 109.751 56.11 0.3400 15 H5 H1 E 14 11 10 1.091 108.952 69.35 0.0000 16 C4 Cg 3 14 11 10 1.545 112.662 -52.43 0.1080 17 H4 H1 E 16 14 11 1.092 109.257 -67.90 0.0000 18 O4 Oh S 16 14 11 1.460 109.081 173.87 -0.6750 19 H4O Ho E 18 16 14 0.968 108.634 -176.45 0.4350 20 C3 Cg B 16 14 11 1.550 110.670 52.18 0.4640 21 H3 H1 E 20 16 14 1.092 108.385 68.01 0.0000 22 O3 Oh S 20 16 14 1.453 108.659 -174.74 -0.7300 23 H3O Ho E 22 20 16 0.965 106.403 -179.38 0.4320 24 O5 Os M 14 11 10 1.444 108.793 -172.08 -0.4850 LOOP C3 C2 DONE 5CA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450 5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860 6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000 7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000 8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960 9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020 10 C3 Cg M 4 3 2 1.575 105.291 0.80 0.2470 11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000 12 O3 Oh S 10 4 3 1.466 111.567 86.40 -0.6550 13 H3O Ho E 12 10 4 0.965 109.737 -159.40 0.4060 14 C4 Cg M 10 4 3 1.551 113.411 -152.18 0.3670 15 H4 H1 E 14 10 4 1.091 108.797 -167.01 0.0000 16 O4 Oh S 14 10 4 1.450 110.082 76.05 -0.7200 17 H4O Ho E 16 14 10 0.965 107.347 -174.93 0.3940 18 C5 Cg M 14 10 4 1.544 112.343 -46.95 0.1950 19 H5 H1 E 18 14 10 1.091 108.612 -61.32 0.0000 20 C6 Cg 3 18 14 10 1.538 109.577 57.29 0.4370 21 H6E H1 E 20 18 14 1.090 109.936 -178.47 0.0000 22 H6A H1 E 20 18 14 1.091 110.981 62.19 0.0000 23 O6 Os E 20 18 14 1.483 109.646 -58.96 -0.6200 24 O5 Os M 18 14 10 1.462 110.821 -179.28 -0.4880 LOOP O6 C2 DONE 5CB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440 5 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970 6 H12 H1 E 5 4 3 1.091 110.065 46.56 0.0000 7 H11 H1 E 5 4 3 1.088 110.800 165.58 0.0000 8 O1 Oh S 5 4 3 1.447 111.733 -74.36 -0.6690 9 H1O Ho E 8 5 4 0.961 109.456 -178.60 0.4010 10 O6 Os M 4 3 2 1.480 134.325 169.15 -0.4600 11 C6 Cg M 10 4 3 1.482 117.080 144.78 0.3650 12 H6E H1 E 11 10 4 1.090 108.978 178.11 0.0000 13 H6A H1 E 11 10 4 1.091 109.532 -63.87 0.0000 14 C5 Cg M 11 10 4 1.539 109.460 57.67 0.1950 15 H5 H1 E 14 11 10 1.091 107.780 64.61 0.0000 16 C4 Cg 3 14 11 10 1.549 112.024 -54.46 0.3440 17 H4 H1 E 16 14 11 1.091 108.628 172.57 0.0000 18 O4 Oh S 16 14 11 1.459 109.986 -70.35 -0.6980 19 H4O Ho E 18 16 14 0.964 108.929 -144.70 0.4170 20 C3 Cg B 16 14 11 1.551 111.995 51.70 0.3170 21 H3 H1 E 20 16 14 1.091 109.680 -170.27 0.0000 22 O3 Oh S 20 16 14 1.453 106.815 73.47 -0.6970 23 H3O Ho E 22 20 16 0.968 105.774 -153.52 0.4070 24 O5 Os M 14 11 10 1.457 110.279 -178.31 -0.4630 LOOP C3 C2 DONE 5DD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800 5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000 6 C2 Cg M 4 3 2 1.631 107.390 17.90 0.2290 7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000 8 O2 Oh S 6 4 3 1.459 112.707 149.62 -0.6510 9 H2O Ho E 8 6 4 0.964 109.258 -67.04 0.4110 10 C3 Cg M 6 4 3 1.641 106.976 -85.59 0.2980 11 H3 H1 E 10 6 4 1.090 111.055 137.68 0.0000 12 O3 Oh S 10 6 4 1.446 108.928 -102.08 -0.6780 13 H3O Ho E 12 10 6 0.969 106.468 -24.27 0.4170 14 C4 Cg M 10 6 4 1.624 106.916 15.94 0.1890 15 H4 H1 E 14 10 6 1.091 107.278 99.07 0.0000 16 O4 Os E 14 10 6 1.588 104.960 -15.19 -0.4230 17 C5 Cg M 14 10 6 1.537 117.355 -138.29 0.3050 18 H52 H1 E 17 14 10 1.090 110.349 -57.47 0.0000 19 H51 H1 E 17 14 10 1.090 110.600 62.82 0.0000 20 O5 Os M 17 14 10 1.438 108.908 -177.29 -0.4770 LOOP O4 C1 DONE 5DU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360 5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000 6 O4 Os M 4 3 2 1.554 137.950 -176.42 -0.5170 7 C4 Cg M 6 4 3 1.588 113.584 155.63 0.1350 8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000 9 C3 Cg 3 7 6 4 1.620 104.668 -4.25 0.3000 10 H3 H1 E 9 7 6 1.091 107.749 -104.45 0.0000 11 O3 Oh S 9 7 6 1.446 112.944 136.27 -0.6420 12 H3O Ho E 11 9 7 0.970 106.239 -112.71 0.4050 13 C2 Cg B 9 7 6 1.642 107.806 11.75 0.2840 14 H2 H1 E 13 9 7 1.089 110.775 -134.90 0.0000 15 O2 Oh S 13 9 7 1.464 109.295 105.12 -0.6800 16 H2O Ho E 15 13 9 0.969 107.470 -139.03 0.4070 17 C5 Cg M 7 6 4 1.542 110.504 119.77 0.3730 18 H52 H1 E 17 7 6 1.091 110.456 -60.02 0.0000 19 H51 H1 E 17 7 6 1.090 109.887 -179.59 0.0000 20 O5 Os M 17 7 6 1.439 110.322 60.67 -0.5010 LOOP C2 C1 DONE 5JA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140 5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100 6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000 7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000 8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560 9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050 10 C3 Cg M 4 3 2 1.561 108.078 4.40 0.2710 11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000 12 O3 Oh S 10 4 3 1.458 110.234 89.20 -0.6540 13 H3O Ho E 12 10 4 0.966 107.634 165.84 0.4250 14 C4 Cg M 10 4 3 1.550 111.054 -149.95 0.2810 15 H4 H1 E 14 10 4 1.091 108.892 64.55 0.0000 16 O4 Oh S 14 10 4 1.460 109.496 -177.99 -0.6720 17 H4O Ho E 16 14 10 0.964 109.388 -81.32 0.4130 18 C5 Cg M 14 10 4 1.547 111.417 -55.51 0.2730 19 H5 H1 E 18 14 10 1.091 109.946 -64.34 0.0000 20 C6 Cg 3 18 14 10 1.541 110.532 56.44 0.3680 21 H6E H1 E 20 18 14 1.090 110.023 -172.59 0.0000 22 H6A H1 E 20 18 14 1.091 109.951 68.78 0.0000 23 O6 Os E 20 18 14 1.489 111.422 -51.66 -0.5040 24 O5 Os M 18 14 10 1.453 109.662 176.22 -0.4740 LOOP O6 C2 DONE 5JB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130 5 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800 6 H12 H1 E 5 4 3 1.091 109.821 33.19 0.0000 7 H11 H1 E 5 4 3 1.089 110.419 151.32 0.0000 8 O1 Oh S 5 4 3 1.444 112.820 -88.26 -0.7220 9 H1O Ho E 8 5 4 0.965 107.671 41.74 0.4320 10 O6 Os M 4 3 2 1.484 136.913 168.93 -0.5510 11 C6 Cg M 10 4 3 1.484 117.065 151.25 0.2920 12 H6E H1 E 11 10 4 1.090 109.046 175.12 0.0000 13 H6A H1 E 11 10 4 1.091 108.728 -67.49 0.0000 14 C5 Cg M 11 10 4 1.547 111.063 53.76 0.3740 15 H5 H1 E 14 11 10 1.091 108.987 71.66 0.0000 16 C4 Cg 3 14 11 10 1.550 111.895 -49.63 0.1550 17 H4 H1 E 16 14 11 1.090 108.402 -67.51 0.0000 18 O4 Oh S 16 14 11 1.459 110.935 175.25 -0.6840 19 H4O Ho E 18 16 14 0.968 109.165 45.21 0.4380 20 C3 Cg B 16 14 11 1.551 111.966 52.01 0.3630 21 H3 H1 E 20 16 14 1.091 109.562 -175.27 0.0000 22 O3 Oh S 20 16 14 1.461 107.359 67.28 -0.7250 23 H3O Ho E 22 20 16 0.967 106.570 50.21 0.4320 24 O5 Os M 14 11 10 1.455 109.300 -169.66 -0.4970 LOOP C3 C2 DONE 5PA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170 5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270 6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000 7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000 8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440 9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930 10 C3 Cg M 4 3 2 1.558 99.850 -27.83 0.1500 11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000 12 O3 Oh S 10 4 3 1.441 111.232 -41.58 -0.6650 13 H3O Ho E 12 10 4 0.960 109.411 -63.14 0.4090 14 C4 Cg M 10 4 3 1.543 115.259 -167.84 0.3940 15 H4 H1 E 14 10 4 1.091 110.047 -172.55 0.0000 16 O4 Oh S 14 10 4 1.445 109.700 67.72 -0.7020 17 H4O Ho E 16 14 10 0.960 109.435 60.08 0.4320 18 C5 Cg M 14 10 4 1.541 108.511 -52.13 0.1530 19 H5 H1 E 18 14 10 1.091 108.437 -65.69 0.0000 20 C6 Cg 3 18 14 10 1.536 113.177 54.52 0.3930 21 H6E H1 E 20 18 14 1.090 110.388 -174.85 0.0000 22 H6A H1 E 20 18 14 1.091 110.767 65.28 0.0000 23 O6 Os E 20 18 14 1.482 109.077 -55.00 -0.5980 24 O5 Os M 18 14 10 1.437 110.081 176.63 -0.4590 LOOP O6 C2 DONE 5PB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070 5 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790 6 H12 H1 E 5 4 3 1.091 110.003 43.55 0.0000 7 H11 H1 E 5 4 3 1.088 110.382 162.11 0.0000 8 O1 Oh S 5 4 3 1.452 112.720 -77.60 -0.7200 9 H1O Ho E 8 5 4 0.961 109.403 -178.93 0.4100 10 O6 Os M 4 3 2 1.479 135.293 168.58 -0.5400 11 C6 Cg M 10 4 3 1.483 117.190 146.77 0.3640 12 H6E H1 E 11 10 4 1.090 109.004 179.12 0.0000 13 H6A H1 E 11 10 4 1.091 109.618 -62.69 0.0000 14 C5 Cg M 11 10 4 1.540 108.996 58.93 0.1880 15 H5 H1 E 14 11 10 1.091 108.080 63.62 0.0000 16 C4 Cg 3 14 11 10 1.546 111.137 -55.37 0.3280 17 H4 H1 E 16 14 11 1.091 109.097 173.70 0.0000 18 O4 Oh S 16 14 11 1.453 109.563 -68.11 -0.6980 19 H4O Ho E 18 16 14 0.967 106.113 178.47 0.4270 20 C3 Cg B 16 14 11 1.548 111.648 53.12 0.1800 21 H3 H1 E 20 16 14 1.092 106.115 68.15 0.0000 22 O3 Oh S 20 16 14 1.462 110.163 -176.47 -0.6810 23 H3O Ho E 22 20 16 0.967 108.335 -167.48 0.4220 24 O5 Os M 14 11 10 1.454 110.659 -178.62 -0.4660 LOOP C3 C2 DONE 5RD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450 5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000 6 C2 Cg M 4 3 2 1.639 108.788 16.92 0.3180 7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000 8 O2 Oh S 6 4 3 1.461 116.185 -94.11 -0.7090 9 H2O Ho E 8 6 4 0.962 110.320 178.71 0.4160 10 C3 Cg M 6 4 3 1.641 106.653 138.14 0.2750 11 H3 H1 E 10 6 4 1.090 110.829 -140.13 0.0000 12 O3 Oh S 10 6 4 1.452 110.052 99.39 -0.7390 13 H3O Ho E 12 10 6 0.969 108.678 -13.86 0.4380 14 C4 Cg M 10 6 4 1.627 107.074 -17.90 0.3270 15 H4 H1 E 14 10 6 1.091 110.687 126.58 0.0000 16 O4 Os E 14 10 6 1.590 104.801 9.06 -0.5130 17 C5 Cg M 14 10 6 1.540 111.841 -110.98 0.1950 18 H52 H1 E 17 14 10 1.090 109.854 62.87 0.0000 19 H51 H1 E 17 14 10 1.090 109.790 -55.87 0.0000 20 O5 Os M 17 14 10 1.441 111.480 -176.24 -0.4530 LOOP O4 C1 DONE 5RU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780 5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000 6 O4 Os M 4 3 2 1.557 127.421 149.85 -0.4240 7 C4 Cg M 6 4 3 1.587 113.195 -122.12 0.1020 8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000 9 C3 Cg 3 7 6 4 1.616 104.949 4.12 0.2890 10 H3 H1 E 9 7 6 1.091 109.320 105.86 0.0000 11 O3 Oh S 9 7 6 1.443 110.518 -134.81 -0.6830 12 H3O Ho E 11 9 7 0.968 106.484 98.07 0.4280 13 C2 Cg B 9 7 6 1.643 107.735 -11.40 0.2930 14 H2 H1 E 13 9 7 1.091 110.396 135.88 0.0000 15 O2 Oh S 13 9 7 1.462 110.605 -103.78 -0.6700 16 H2O Ho E 15 13 9 0.963 109.628 -173.50 0.4200 17 C5 Cg M 7 6 4 1.534 111.781 126.34 0.3380 18 H52 H1 E 17 7 6 1.090 110.006 -172.13 0.0000 19 H51 H1 E 17 7 6 1.090 110.394 -52.52 0.0000 20 O5 Os M 17 7 6 1.436 109.887 68.16 -0.4710 LOOP C2 C1 DONE 5XD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280 5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000 6 C2 Cg M 4 3 2 1.636 88.449 18.82 0.2480 7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000 8 O2 Oh S 6 4 3 1.455 113.910 66.16 -0.6570 9 H2O Ho E 8 6 4 0.967 107.830 -15.92 0.4070 10 C3 Cg M 6 4 3 1.634 106.860 -57.15 0.3020 11 H3 H1 E 10 6 4 1.091 108.695 100.33 0.0000 12 O3 Oh S 10 6 4 1.447 111.050 -140.89 -0.7140 13 H3O Ho E 12 10 6 0.963 109.068 -54.84 0.4260 14 C4 Cg M 10 6 4 1.626 107.473 -15.89 0.2370 15 H4 H1 E 14 10 6 1.090 108.401 126.25 0.0000 16 O4 Os E 14 10 6 1.593 104.822 10.20 -0.5070 17 C5 Cg M 14 10 6 1.543 116.861 -110.85 0.2800 18 H52 H1 E 17 14 10 1.090 109.111 -166.53 0.0000 19 H51 H1 E 17 14 10 1.090 111.083 -47.72 0.0000 20 O5 Os M 17 14 10 1.441 110.629 74.51 -0.4500 LOOP O4 C1 DONE 5XU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880 5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000 6 O4 Os M 4 3 2 1.557 141.976 -176.87 -0.4270 7 C4 Cg M 6 4 3 1.585 113.491 160.80 0.1420 8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000 9 C3 Cg 3 7 6 4 1.626 104.984 -3.27 0.2240 10 H3 H1 E 9 7 6 1.091 107.946 -110.07 0.0000 11 O3 Oh S 9 7 6 1.450 112.399 130.64 -0.6620 12 H3O Ho E 11 9 7 0.964 109.399 168.94 0.4120 13 C2 Cg B 9 7 6 1.636 107.660 8.09 0.3820 14 H2 H1 E 13 9 7 1.091 109.319 108.55 0.0000 15 O2 Oh S 13 9 7 1.454 110.186 -132.48 -0.7310 16 H2O Ho E 15 13 9 0.963 109.130 -172.15 0.4200 17 C5 Cg M 7 6 4 1.541 109.761 121.74 0.2850 18 H52 H1 E 17 7 6 1.091 110.415 -59.53 0.0000 19 H51 H1 E 17 7 6 1.090 109.960 -179.16 0.0000 20 O5 Os M 17 7 6 1.439 110.113 61.06 -0.4330 LOOP C2 C1 DONE 5aD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680 5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000 6 O4 Os M 4 3 2 1.561 59.259 -79.14 -0.4530 7 C4 Cg M 6 4 3 1.585 113.130 -121.92 0.1470 8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000 9 C3 Cg 3 7 6 4 1.617 105.385 -6.71 0.3700 10 H3 H1 E 9 7 6 1.091 110.266 -112.89 0.0000 11 O3 Oh S 9 7 6 1.445 109.680 127.75 -0.7030 12 H3O Ho E 11 9 7 0.962 109.189 179.20 0.4040 13 C2 Cg B 9 7 6 1.638 107.830 6.88 0.2780 14 H2 H1 E 13 9 7 1.092 109.588 114.25 0.0000 15 O2 Oh S 13 9 7 1.459 110.296 -126.81 -0.6880 16 H2O Ho E 15 13 9 0.962 111.196 67.05 0.4300 17 C5 Cg M 7 6 4 1.531 111.011 -129.51 0.3380 18 H51 H1 E 17 7 6 1.090 110.161 -65.64 0.0000 19 H52 H1 E 17 7 6 1.090 110.286 174.71 0.0000 20 O5 Os M 17 7 6 1.438 109.271 54.27 -0.4910 LOOP C2 C1 DONE 5aU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770 5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000 6 C2 Cg M 4 3 2 1.636 130.777 -176.24 0.3280 7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000 8 O2 Oh S 6 4 3 1.456 114.449 2.64 -0.7210 9 H2O Ho E 8 6 4 0.967 108.079 -13.83 0.4170 10 C3 Cg M 6 4 3 1.636 107.243 -120.25 0.2150 11 H3 H1 E 10 6 4 1.091 109.548 106.72 0.0000 12 O3 Oh S 10 6 4 1.449 110.684 -133.44 -0.7280 13 H3O Ho E 12 10 6 0.965 109.557 -66.15 0.4370 14 C4 Cg M 10 6 4 1.623 107.636 -12.21 0.3270 15 H4 H1 E 14 10 6 1.091 110.021 -108.06 0.0000 16 O4 Os E 14 10 6 1.592 104.988 8.35 -0.5320 17 C5 Cg M 14 10 6 1.536 113.561 128.49 0.2270 18 H51 H1 E 17 14 10 1.090 110.273 60.89 0.0000 19 H52 H1 E 17 14 10 1.090 110.003 -58.63 0.0000 20 O5 Os M 17 14 10 1.440 109.976 -178.69 -0.4470 LOOP O4 C1 DONE 5bA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300 5 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280 6 H11 H1 E 5 4 3 1.090 109.813 -63.29 0.0000 7 H12 H1 E 5 4 3 1.091 110.098 55.13 0.0000 8 O1 Oh S 5 4 3 1.443 112.003 175.62 -0.6780 9 H1O Ho E 8 5 4 0.961 107.457 -73.22 0.3990 10 O6 Os M 4 3 2 1.483 117.931 41.66 -0.5070 11 C6 Cg M 10 4 3 1.491 117.309 -140.69 0.3410 12 H6A H1 E 11 10 4 1.091 108.839 69.58 0.0000 13 H6E H1 E 11 10 4 1.090 108.907 -173.08 0.0000 14 C5 Cg M 11 10 4 1.544 111.103 -51.77 0.2240 15 H5 H1 E 14 11 10 1.091 108.357 -70.02 0.0000 16 C4 Cg 3 14 11 10 1.550 111.673 50.56 0.3350 17 H4 H1 E 16 14 11 1.092 110.207 65.56 0.0000 18 O4 Oh S 16 14 11 1.461 109.228 -175.33 -0.7240 19 H4O Ho E 18 16 14 0.964 108.580 -89.49 0.4210 20 C3 Cg B 16 14 11 1.548 109.394 -55.39 0.3720 21 H3 H1 E 20 16 14 1.092 107.364 -59.65 0.0000 22 O3 Oh S 20 16 14 1.456 111.878 -176.69 -0.7160 23 H3O Ho E 22 20 16 0.964 107.033 43.80 0.4300 24 O5 Os M 14 11 10 1.455 108.467 172.51 -0.4550 LOOP C3 C2 DONE 5bB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270 5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810 6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000 7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000 8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260 9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950 10 C3 Cg M 4 3 2 1.564 137.751 -159.39 0.4640 11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000 12 O3 Oh S 10 4 3 1.453 110.350 18.53 -0.7300 13 H3O Ho E 12 10 4 0.965 106.403 -56.73 0.4320 14 C4 Cg M 10 4 3 1.550 112.585 140.12 0.1080 15 H4 H1 E 14 10 4 1.092 109.044 -68.01 0.0000 16 O4 Oh S 14 10 4 1.460 110.433 173.08 -0.6750 17 H4O Ho E 16 14 10 0.968 108.634 54.62 0.4350 18 C5 Cg M 14 10 4 1.545 110.670 52.19 0.3400 19 H5 H1 E 18 14 10 1.091 109.543 69.26 0.0000 20 C6 Cg 3 18 14 10 1.543 112.662 -52.18 0.3110 21 H6A H1 E 20 18 14 1.091 110.545 -68.04 0.0000 22 H6E H1 E 20 18 14 1.090 110.160 172.58 0.0000 23 O6 Os E 20 18 14 1.485 109.751 52.43 -0.4770 24 O5 Os M 18 14 10 1.444 107.942 -172.32 -0.4850 LOOP O6 C2 DONE 5cA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450 5 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860 6 H11 H1 E 5 4 3 1.091 110.132 -50.25 0.0000 7 H12 H1 E 5 4 3 1.091 109.446 67.92 0.0000 8 O1 Oh S 5 4 3 1.446 112.801 -171.35 -0.6960 9 H1O Ho E 8 5 4 0.968 106.626 -39.29 0.4020 10 O6 Os M 4 3 2 1.483 117.808 35.58 -0.6200 11 C6 Cg M 10 4 3 1.483 118.572 -140.03 0.4370 12 H6A H1 E 11 10 4 1.091 109.541 67.42 0.0000 13 H6E H1 E 11 10 4 1.090 108.752 -174.83 0.0000 14 C5 Cg M 11 10 4 1.538 109.646 -54.60 0.1950 15 H5 H1 E 14 11 10 1.091 108.701 -59.59 0.0000 16 C4 Cg 3 14 11 10 1.544 109.577 58.96 0.3670 17 H4 H1 E 16 14 11 1.091 108.427 -177.56 0.0000 18 O4 Oh S 16 14 11 1.450 110.035 65.74 -0.7200 19 H4O Ho E 18 16 14 0.965 107.347 50.59 0.3940 20 C3 Cg B 16 14 11 1.551 112.343 -57.29 0.2470 21 H3 H1 E 20 16 14 1.092 108.943 168.11 0.0000 22 O3 Oh S 20 16 14 1.466 107.388 -76.78 -0.6550 23 H3O Ho E 22 20 16 0.965 109.737 -75.75 0.4060 24 O5 Os M 14 11 10 1.462 111.474 -178.00 -0.4880 LOOP C3 C2 DONE 5cB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440 5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970 6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000 7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000 8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690 9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010 10 C3 Cg M 4 3 2 1.569 136.938 -155.77 0.3170 11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000 12 O3 Oh S 10 4 3 1.453 110.172 -98.32 -0.6970 13 H3O Ho E 12 10 4 0.968 105.774 30.26 0.4070 14 C4 Cg M 10 4 3 1.551 113.143 142.19 0.3440 15 H4 H1 E 14 10 4 1.091 109.341 168.38 0.0000 16 O4 Oh S 14 10 4 1.459 109.536 -74.38 -0.6980 17 H4O Ho E 16 14 10 0.964 108.929 -91.80 0.4170 18 C5 Cg M 14 10 4 1.549 111.995 47.93 0.1950 19 H5 H1 E 18 14 10 1.091 108.324 67.05 0.0000 20 C6 Cg 3 18 14 10 1.539 112.024 -51.70 0.3650 21 H6A H1 E 20 18 14 1.091 110.698 -66.37 0.0000 22 H6E H1 E 20 18 14 1.090 110.083 174.22 0.0000 23 O6 Os E 20 18 14 1.482 109.460 54.46 -0.4600 24 O5 Os M 18 14 10 1.457 110.756 -175.28 -0.4630 LOOP O6 C2 DONE 5dD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800 5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000 6 O4 Os M 4 3 2 1.562 69.561 -75.86 -0.4230 7 C4 Cg M 6 4 3 1.588 112.912 -129.70 0.1890 8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000 9 C3 Cg 3 7 6 4 1.624 104.960 -9.27 0.2980 10 H3 H1 E 9 7 6 1.090 111.418 136.70 0.0000 11 O3 Oh S 9 7 6 1.446 109.315 -102.58 -0.6780 12 H3O Ho E 11 9 7 0.969 106.468 140.77 0.4170 13 C2 Cg B 9 7 6 1.641 106.916 15.19 0.2290 14 H2 H1 E 13 9 7 1.091 107.286 100.85 0.0000 15 O2 Oh S 13 9 7 1.459 112.998 -140.55 -0.6510 16 H2O Ho E 15 13 9 0.964 109.258 -171.53 0.4110 17 C5 Cg M 7 6 4 1.537 110.486 -136.68 0.3050 18 H51 H1 E 17 7 6 1.090 110.600 57.42 0.0000 19 H52 H1 E 17 7 6 1.090 110.349 177.71 0.0000 20 O5 Os M 17 7 6 1.438 108.908 -62.47 -0.4770 LOOP C2 C1 DONE 5dU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360 5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000 6 C2 Cg M 4 3 2 1.640 133.355 -123.59 0.2840 7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000 8 O2 Oh S 6 4 3 1.464 111.148 -105.13 -0.6800 9 H2O Ho E 8 6 4 0.969 107.470 22.02 0.4070 10 C3 Cg M 6 4 3 1.642 106.290 136.04 0.3000 11 H3 H1 E 10 6 4 1.091 107.886 -101.19 0.0000 12 O3 Oh S 10 6 4 1.446 112.188 139.89 -0.6420 13 H3O Ho E 12 10 6 0.970 106.239 -9.38 0.4050 14 C4 Cg M 10 6 4 1.620 107.806 14.92 0.1350 15 H4 H1 E 14 10 6 1.091 108.974 -127.93 0.0000 16 O4 Os E 14 10 6 1.588 104.668 -11.75 -0.5170 17 C5 Cg M 14 10 6 1.542 114.725 109.52 0.3730 18 H51 H1 E 17 14 10 1.090 109.887 61.57 0.0000 19 H52 H1 E 17 14 10 1.091 110.456 -58.00 0.0000 20 O5 Os M 17 14 10 1.439 110.322 -178.69 -0.5010 LOOP O4 C1 DONE 5jA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140 5 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100 6 H11 H1 E 5 4 3 1.091 110.432 -44.43 0.0000 7 H12 H1 E 5 4 3 1.091 109.780 74.50 0.0000 8 O1 Oh S 5 4 3 1.437 111.258 -165.16 -0.6560 9 H1O Ho E 8 5 4 0.970 105.489 -31.79 0.4050 10 O6 Os M 4 3 2 1.482 115.122 42.33 -0.5040 11 C6 Cg M 10 4 3 1.489 118.583 -143.57 0.3680 12 H6A H1 E 11 10 4 1.091 108.585 71.14 0.0000 13 H6E H1 E 11 10 4 1.090 108.936 -171.67 0.0000 14 C5 Cg M 11 10 4 1.541 111.422 -50.10 0.2730 15 H5 H1 E 14 11 10 1.091 109.320 -69.49 0.0000 16 C4 Cg 3 14 11 10 1.547 110.532 51.66 0.2810 17 H4 H1 E 16 14 11 1.091 108.842 63.65 0.0000 18 O4 Oh S 16 14 11 1.460 110.450 -178.37 -0.6720 19 H4O Ho E 18 16 14 0.964 109.388 -155.63 0.4130 20 C3 Cg B 16 14 11 1.550 111.417 -56.44 0.2710 21 H3 H1 E 20 16 14 1.091 109.045 176.24 0.0000 22 O3 Oh S 20 16 14 1.458 108.952 -66.09 -0.6540 23 H3O Ho E 22 20 16 0.966 107.634 -43.74 0.4250 24 O5 Os M 14 11 10 1.453 108.662 172.04 -0.4740 LOOP C3 C2 DONE 5jB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130 5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800 6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000 7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000 8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220 9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320 10 C3 Cg M 4 3 2 1.569 133.651 -166.33 0.3630 11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000 12 O3 Oh S 10 4 3 1.461 111.127 -95.90 -0.7250 13 H3O Ho E 12 10 4 0.967 106.570 -171.29 0.4320 14 C4 Cg M 10 4 3 1.551 110.614 144.95 0.1550 15 H4 H1 E 14 10 4 1.090 108.392 -65.40 0.0000 16 O4 Oh S 14 10 4 1.459 109.947 177.92 -0.6840 17 H4O Ho E 16 14 10 0.968 109.165 -169.60 0.4380 18 C5 Cg M 14 10 4 1.550 111.966 54.12 0.3740 19 H5 H1 E 18 14 10 1.091 109.534 68.96 0.0000 20 C6 Cg 3 18 14 10 1.547 111.895 -52.01 0.2920 21 H6A H1 E 20 18 14 1.091 110.065 -70.83 0.0000 22 H6E H1 E 20 18 14 1.090 109.985 170.44 0.0000 23 O6 Os E 20 18 14 1.484 111.063 49.63 -0.5510 24 O5 Os M 18 14 10 1.455 108.361 -172.59 -0.4970 LOOP O6 C2 DONE 5pA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170 5 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270 6 H11 H1 E 5 4 3 1.091 110.426 -89.86 0.0000 7 H12 H1 E 5 4 3 1.091 110.581 29.73 0.0000 8 O1 Oh S 5 4 3 1.436 110.176 150.08 -0.6440 9 H1O Ho E 8 5 4 0.960 109.427 -60.11 0.3930 10 O6 Os M 4 3 2 1.488 134.068 95.67 -0.5980 11 C6 Cg M 10 4 3 1.482 118.332 -161.65 0.3930 12 H6A H1 E 11 10 4 1.091 109.250 66.45 0.0000 13 H6E H1 E 11 10 4 1.090 109.091 -175.40 0.0000 14 C5 Cg M 11 10 4 1.536 109.077 -54.75 0.1530 15 H5 H1 E 14 11 10 1.091 108.321 -65.28 0.0000 16 C4 Cg 3 14 11 10 1.541 113.177 55.00 0.3940 17 H4 H1 E 16 14 11 1.091 110.012 -174.96 0.0000 18 O4 Oh S 16 14 11 1.445 109.714 65.32 -0.7020 19 H4O Ho E 18 16 14 0.960 109.435 -179.19 0.4320 20 C3 Cg B 16 14 11 1.543 108.511 -54.52 0.1500 21 H3 H1 E 20 16 14 1.091 106.088 -66.29 0.0000 22 O3 Oh S 20 16 14 1.441 110.125 178.95 -0.6650 23 H3O Ho E 22 20 16 0.960 109.411 -65.90 0.4090 24 O5 Os M 14 11 10 1.437 108.893 177.77 -0.4590 LOOP C3 C2 DONE 5pB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070 5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790 6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000 7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000 8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200 9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100 10 C3 Cg M 4 3 2 1.562 136.654 -159.34 0.1800 11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000 12 O3 Oh S 10 4 3 1.462 112.137 18.93 -0.6810 13 H3O Ho E 12 10 4 0.967 108.335 -65.45 0.4220 14 C4 Cg M 10 4 3 1.548 113.222 144.34 0.3280 15 H4 H1 E 14 10 4 1.091 109.035 170.62 0.0000 16 O4 Oh S 14 10 4 1.453 109.303 -71.38 -0.6980 17 H4O Ho E 16 14 10 0.967 106.113 -55.83 0.4270 18 C5 Cg M 14 10 4 1.546 111.648 50.00 0.1880 19 H5 H1 E 18 14 10 1.091 108.531 65.60 0.0000 20 C6 Cg 3 18 14 10 1.540 111.137 -53.12 0.3640 21 H6A H1 E 20 18 14 1.091 110.957 -65.43 0.0000 22 H6E H1 E 20 18 14 1.090 110.095 174.89 0.0000 23 O6 Os E 20 18 14 1.483 108.996 55.37 -0.5400 24 O5 Os M 18 14 10 1.454 110.567 -176.42 -0.4660 LOOP O6 C2 DONE 5rD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450 5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000 6 O4 Os M 4 3 2 1.561 97.975 72.12 -0.5130 7 C4 Cg M 6 4 3 1.590 113.384 153.92 0.3270 8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000 9 C3 Cg 3 7 6 4 1.627 104.801 -3.59 0.2750 10 H3 H1 E 9 7 6 1.090 111.845 -130.65 0.0000 11 O3 Oh S 9 7 6 1.452 108.122 109.49 -0.7390 12 H3O Ho E 11 9 7 0.969 108.678 -102.78 0.4380 13 C2 Cg B 9 7 6 1.641 107.074 -9.06 0.3180 14 H2 H1 E 13 9 7 1.090 106.590 -95.30 0.0000 15 O2 Oh S 13 9 7 1.461 113.571 147.17 -0.7090 16 H2O Ho E 15 13 9 0.962 110.320 57.03 0.4160 17 C5 Cg M 7 6 4 1.540 110.745 -124.36 0.1950 18 H51 H1 E 17 7 6 1.090 109.790 172.36 0.0000 19 H52 H1 E 17 7 6 1.090 109.854 53.62 0.0000 20 O5 Os M 17 7 6 1.441 111.480 -67.27 -0.4530 LOOP C2 C1 DONE 5rU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780 5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000 6 C2 Cg M 4 3 2 1.633 131.021 -175.92 0.2930 7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000 8 O2 Oh S 6 4 3 1.462 109.045 117.82 -0.6700 9 H2O Ho E 8 6 4 0.963 109.628 -69.88 0.4200 10 C3 Cg M 6 4 3 1.643 106.357 -122.88 0.2890 11 H3 H1 E 10 6 4 1.091 108.114 103.55 0.0000 12 O3 Oh S 10 6 4 1.443 112.608 -136.62 -0.6830 13 H3O Ho E 12 10 6 0.968 106.484 22.47 0.4280 14 C4 Cg M 10 6 4 1.616 107.735 -14.49 0.1020 15 H4 H1 E 14 10 6 1.091 109.546 -104.49 0.0000 16 O4 Os E 14 10 6 1.587 104.949 11.40 -0.4240 17 C5 Cg M 14 10 6 1.534 112.497 133.15 0.3380 18 H51 H1 E 17 14 10 1.090 110.394 -65.27 0.0000 19 H52 H1 E 17 14 10 1.090 110.006 54.34 0.0000 20 O5 Os M 17 14 10 1.436 109.887 174.05 -0.4710 LOOP O4 C1 DONE 5xD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280 5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000 6 O4 Os M 4 3 2 1.561 69.372 -71.25 -0.5070 7 C4 Cg M 6 4 3 1.593 113.153 -99.38 0.2370 8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000 9 C3 Cg 3 7 6 4 1.626 104.822 0.57 0.3020 10 H3 H1 E 9 7 6 1.091 107.635 106.72 0.0000 11 O3 Oh S 9 7 6 1.447 113.750 -133.56 -0.7140 12 H3O Ho E 11 9 7 0.963 109.068 176.23 0.4260 13 C2 Cg B 9 7 6 1.634 107.473 -10.20 0.2480 14 H2 H1 E 13 9 7 1.091 108.718 -100.07 0.0000 15 O2 Oh S 13 9 7 1.455 111.279 140.82 -0.6570 16 H2O Ho E 15 13 9 0.967 107.830 -104.95 0.4070 17 C5 Cg M 7 6 4 1.543 109.223 -125.39 0.2800 18 H51 H1 E 17 7 6 1.090 111.083 166.42 0.0000 19 H52 H1 E 17 7 6 1.090 109.111 -74.77 0.0000 20 O5 Os M 17 7 6 1.441 110.629 44.19 -0.4500 LOOP C2 C1 DONE 5xU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880 5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000 6 C2 Cg M 4 3 2 1.632 131.215 -128.66 0.3820 7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000 8 O2 Oh S 6 4 3 1.454 112.254 24.53 -0.7310 9 H2O Ho E 8 6 4 0.963 109.130 -68.38 0.4200 10 C3 Cg M 6 4 3 1.636 107.260 145.70 0.2240 11 H3 H1 E 10 6 4 1.091 109.533 -107.12 0.0000 12 O3 Oh S 10 6 4 1.450 111.002 133.42 -0.6620 13 H3O Ho E 12 10 6 0.964 109.399 70.42 0.4120 14 C4 Cg M 10 6 4 1.626 107.660 10.02 0.1420 15 H4 H1 E 14 10 6 1.091 108.631 -124.08 0.0000 16 O4 Os E 14 10 6 1.585 104.984 -8.09 -0.4270 17 C5 Cg M 14 10 6 1.541 115.732 113.08 0.2850 18 H51 H1 E 17 14 10 1.090 109.960 60.60 0.0000 19 H52 H1 E 17 14 10 1.091 110.415 -59.03 0.0000 20 O5 Os M 17 14 10 1.439 110.113 -179.62 -0.4330 LOOP O4 C1 DONE 6BD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410 5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130 6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000 7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000 8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680 9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140 10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400 11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000 12 O3 Oh S 10 4 3 1.453 115.892 -99.73 -0.7320 13 H3O Ho E 12 10 4 0.959 109.052 121.29 0.4040 14 C4 Cg M 10 4 3 1.636 106.644 136.55 0.2250 15 H4 H1 E 14 10 4 1.091 108.604 98.33 0.0000 16 O4 Oh S 14 10 4 1.457 112.032 -142.43 -0.7100 17 H4O Ho E 16 14 10 0.965 109.577 -74.18 0.4350 18 C5 Cg M 14 10 4 1.626 107.413 -17.56 0.2710 19 H5 H1 E 18 14 10 1.091 108.621 126.81 0.0000 20 O5 Os E 18 14 10 1.587 104.732 10.45 -0.4520 21 C6 Cg M 18 14 10 1.543 115.360 -109.99 0.2810 22 H62 H1 E 21 18 14 1.091 109.980 67.38 0.0000 23 H61 H1 E 21 18 14 1.090 110.249 -51.87 0.0000 24 O6 Os M 21 18 14 1.443 110.886 -171.63 -0.4620 LOOP O5 C2 DONE 6BU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470 5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990 6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000 7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000 8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270 9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820 10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850 11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100 12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000 13 C4 Cg 3 11 10 4 1.624 104.801 -5.21 0.2830 14 H4 H1 E 13 11 10 1.091 107.561 -105.82 0.0000 15 O4 Oh S 13 11 10 1.453 112.691 135.08 -0.7550 16 H4O Ho E 15 13 11 0.964 109.402 171.47 0.4340 17 C3 Cg B 13 11 10 1.637 107.577 11.31 0.3820 18 H3 H1 E 17 13 11 1.091 108.163 103.95 0.0000 19 O3 Oh S 17 13 11 1.455 110.878 -138.10 -0.7420 20 H3O Ho E 19 17 13 0.963 108.479 -160.63 0.4260 21 C6 Cg M 11 10 4 1.541 109.962 118.91 0.3320 22 H62 H1 E 21 11 10 1.090 110.302 -58.44 0.0000 23 H61 H1 E 21 11 10 1.090 109.861 -177.80 0.0000 24 O6 Os M 21 11 10 1.442 110.695 62.46 -0.4860 LOOP C3 C2 DONE 6CD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840 5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700 6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000 7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000 8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880 9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140 10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820 11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000 12 O3 Oh S 10 4 3 1.460 111.917 16.34 -0.7160 13 H3O Ho E 12 10 4 0.965 109.355 -165.56 0.4320 14 C4 Cg M 10 4 3 1.638 106.495 134.41 0.3320 15 H4 H1 E 14 10 4 1.091 111.116 -136.07 0.0000 16 O4 Oh S 14 10 4 1.453 108.919 105.00 -0.7840 17 H4O Ho E 16 14 10 0.965 110.375 -49.86 0.4440 18 C5 Cg M 14 10 4 1.621 107.987 -13.87 0.3090 19 H5 H1 E 18 14 10 1.092 110.544 126.66 0.0000 20 O5 Os E 18 14 10 1.584 104.926 8.85 -0.4980 21 C6 Cg M 18 14 10 1.538 111.506 -110.78 0.2650 22 H62 H1 E 21 18 14 1.091 109.952 69.16 0.0000 23 H61 H1 E 21 18 14 1.090 109.956 -49.70 0.0000 24 O6 Os M 21 18 14 1.442 111.246 -169.72 -0.4460 LOOP O5 C2 DONE 6CU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390 5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870 6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000 7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000 8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240 9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010 10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490 11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100 12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000 13 C4 Cg 3 11 10 4 1.622 105.503 -1.90 0.2930 14 H4 H1 E 13 11 10 1.092 112.170 133.69 0.0000 15 O4 Oh S 13 11 10 1.434 107.738 -106.47 -0.7630 16 H4O Ho E 15 13 11 0.960 109.480 -62.64 0.4310 17 C3 Cg B 13 11 10 1.624 107.882 8.77 0.3330 18 H3 H1 E 17 13 11 1.091 112.343 -135.61 0.0000 19 O3 Oh S 17 13 11 1.439 105.085 106.18 -0.6910 20 H3O Ho E 19 17 13 0.960 109.418 -177.11 0.4100 21 C6 Cg M 11 10 4 1.529 108.415 119.08 0.2720 22 H62 H1 E 21 11 10 1.091 110.618 -56.09 0.0000 23 H61 H1 E 21 11 10 1.090 110.315 -176.31 0.0000 24 O6 Os M 21 11 10 1.433 108.667 64.08 -0.4490 LOOP C3 C2 DONE 6EA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800 5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000 6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790 7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000 8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900 9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470 10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280 11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000 12 O3 Oh S 10 6 4 1.442 106.866 75.38 -0.7140 13 H3O Ho E 12 10 6 0.960 109.461 58.71 0.4200 14 C4 Cg M 10 6 4 1.544 111.809 -45.05 0.2610 15 H4 H1 E 14 10 6 1.091 108.188 -68.68 0.0000 16 O4 Oh S 14 10 6 1.439 109.304 174.29 -0.7210 17 H4O Ho E 16 14 10 0.960 109.412 -61.37 0.4150 18 C5 Cg M 14 10 6 1.541 113.133 51.50 0.3740 19 H5 H1 E 18 14 10 1.092 109.237 63.30 0.0000 20 O5 Os E 18 14 10 1.485 107.816 -54.81 -0.5870 21 C6 Cg M 18 14 10 1.535 114.012 -174.39 0.2590 22 H62 H1 E 21 18 14 1.090 110.525 -56.55 0.0000 23 H61 H1 E 21 18 14 1.091 110.727 63.66 0.0000 24 O6 Os M 21 18 14 1.434 108.916 -175.95 -0.4510 LOOP O5 C1 DONE 6EB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880 5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000 6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320 7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570 8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000 9 C4 Cg 3 7 6 4 1.549 109.730 55.16 0.3200 10 H4 H1 E 9 7 6 1.091 108.584 66.50 0.0000 11 O4 Oh S 9 7 6 1.457 110.564 -175.67 -0.7240 12 H4O Ho E 11 9 7 0.964 110.039 -157.92 0.4200 13 C3 Cg 3 9 7 6 1.554 111.196 -53.07 0.3150 14 H3 H1 E 13 9 7 1.091 109.198 176.72 0.0000 15 O3 Oh S 13 9 7 1.454 110.601 -64.53 -0.6810 16 H3O Ho E 15 13 9 0.965 108.397 -50.06 0.4030 17 C2 Cg B 13 9 7 1.540 111.264 55.77 0.1840 18 H2 H1 E 17 13 9 1.091 109.856 -175.33 0.0000 19 O2 Oh S 17 13 9 1.463 107.825 66.95 -0.6970 20 H2O Ho E 19 17 13 0.966 108.305 -175.24 0.4320 21 C6 Cg M 7 6 4 1.541 109.115 178.24 0.2780 22 H62 H1 E 21 7 6 1.091 110.136 -62.32 0.0000 23 H61 H1 E 21 7 6 1.090 110.614 177.96 0.0000 24 O6 Os M 21 7 6 1.439 109.977 57.72 -0.4630 LOOP C2 C1 DONE 6GA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090 5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000 6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460 7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000 8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130 9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370 10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860 11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000 12 O3 Oh S 10 6 4 1.452 108.531 -172.18 -0.6990 13 H3O Ho E 12 10 6 0.967 107.382 -43.08 0.4270 14 C4 Cg M 10 6 4 1.547 112.114 -52.22 0.2540 15 H4 H1 E 14 10 6 1.092 109.454 -66.45 0.0000 16 O4 Oh S 14 10 6 1.451 108.956 174.69 -0.7100 17 H4O Ho E 16 14 10 0.968 107.227 50.66 0.4360 18 C5 Cg M 14 10 6 1.543 111.254 54.50 0.2830 19 H5 H1 E 18 14 10 1.092 108.261 65.38 0.0000 20 O5 Os E 18 14 10 1.500 109.539 -52.54 -0.5740 21 C6 Cg M 18 14 10 1.546 112.538 -174.79 0.2760 22 H62 H1 E 21 18 14 1.090 110.682 -45.93 0.0000 23 H61 H1 E 21 18 14 1.091 110.014 73.31 0.0000 24 O6 Os M 21 18 14 1.444 110.823 -165.78 -0.4580 LOOP O5 C1 DONE 6GB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840 5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000 6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710 7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250 8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000 9 C4 Cg 3 7 6 4 1.543 108.909 58.25 0.2760 10 H4 H1 E 9 7 6 1.092 109.352 66.92 0.0000 11 O4 Oh S 9 7 6 1.448 108.899 -174.36 -0.7140 12 H4O Ho E 11 9 7 0.967 107.435 172.17 0.4400 13 C3 Cg 3 9 7 6 1.548 111.306 -54.04 0.2840 14 H3 H1 E 13 9 7 1.092 109.104 -67.30 0.0000 15 O3 Oh S 13 9 7 1.454 108.817 174.47 -0.7090 16 H3O Ho E 15 13 9 0.967 107.396 -174.95 0.4320 17 C2 Cg B 13 9 7 1.545 112.113 53.55 0.3100 18 H2 H1 E 17 13 9 1.092 109.394 68.33 0.0000 19 O2 Oh S 17 13 9 1.458 108.975 -172.91 -0.7180 20 H2O Ho E 19 17 13 0.966 108.053 175.61 0.4370 21 C6 Cg M 7 6 4 1.541 109.304 -178.46 0.2820 22 H62 H1 E 21 7 6 1.091 110.212 -62.75 0.0000 23 H61 H1 E 21 7 6 1.090 110.609 177.45 0.0000 24 O6 Os M 21 7 6 1.440 109.810 57.27 -0.4580 LOOP C2 C1 DONE 6JD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920 5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890 6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000 7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000 8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540 9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800 10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930 11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000 12 O3 Oh S 10 4 3 1.455 110.333 22.08 -0.7480 13 H3O Ho E 12 10 4 0.969 106.278 138.38 0.4460 14 C4 Cg M 10 4 3 1.642 105.965 138.66 0.2330 15 H4 H1 E 14 10 4 1.090 107.367 95.04 0.0000 16 O4 Oh S 14 10 4 1.458 113.311 -146.22 -0.6710 17 H4O Ho E 16 14 10 0.965 110.086 -102.72 0.4140 18 C5 Cg M 14 10 4 1.625 107.375 -19.81 0.1900 19 H5 H1 E 18 14 10 1.091 108.940 130.16 0.0000 20 O5 Os E 18 14 10 1.585 104.597 13.44 -0.4100 21 C6 Cg M 18 14 10 1.542 114.908 -106.54 0.3400 22 H62 H1 E 21 18 14 1.090 110.250 66.65 0.0000 23 H61 H1 E 21 18 14 1.090 110.186 -52.85 0.0000 24 O6 Os M 21 18 14 1.441 110.517 -172.30 -0.4940 LOOP O5 C2 DONE 6JU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510 5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330 6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000 7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000 8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970 9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150 10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890 11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000 12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000 13 C4 Cg 3 11 10 4 1.619 104.895 -5.59 0.2840 14 H4 H1 E 13 11 10 1.091 107.554 -103.32 0.0000 15 O4 Oh S 13 11 10 1.442 113.035 137.27 -0.6570 16 H4O Ho E 15 13 11 0.969 105.977 -113.16 0.4100 17 C3 Cg B 13 11 10 1.639 107.844 12.75 0.2230 18 H3 H1 E 17 13 11 1.090 110.597 -136.61 0.0000 19 O3 Oh S 17 13 11 1.460 109.186 103.85 -0.6710 20 H3O Ho E 19 17 13 0.971 106.808 -128.68 0.4160 21 C6 Cg M 11 10 4 1.537 108.498 118.12 0.3490 22 H62 H1 E 21 11 10 1.089 110.316 -54.99 0.0000 23 H61 H1 E 21 11 10 1.090 111.054 -175.70 0.0000 24 O6 Os M 21 11 10 1.435 108.026 64.54 -0.4670 LOOP C3 C2 DONE 6KA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730 5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000 6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810 7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000 8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160 9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270 10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540 11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000 12 O3 Oh S 10 6 4 1.440 110.218 69.79 -0.7440 13 H3O Ho E 12 10 6 0.960 109.437 59.70 0.4360 14 C4 Cg M 10 6 4 1.541 111.196 -48.97 0.1960 15 H4 H1 E 14 10 6 1.091 109.723 170.85 0.0000 16 O4 Oh S 14 10 6 1.440 107.338 -72.13 -0.7120 17 H4O Ho E 16 14 10 0.960 109.466 -178.56 0.4200 18 C5 Cg M 14 10 6 1.549 113.058 48.50 0.3010 19 H5 H1 E 18 14 10 1.092 107.347 66.38 0.0000 20 O5 Os E 18 14 10 1.489 109.902 -50.90 -0.5400 21 C6 Cg M 18 14 10 1.535 114.885 -173.99 0.2870 22 H62 H1 E 21 18 14 1.090 110.246 -52.70 0.0000 23 H61 H1 E 21 18 14 1.091 110.887 67.51 0.0000 24 O6 Os M 21 18 14 1.434 108.908 -172.15 -0.4630 LOOP O5 C1 DONE 6KB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490 5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000 6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140 7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030 8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000 9 C4 Cg 3 7 6 4 1.553 110.891 55.18 0.2170 10 H4 H1 E 9 7 6 1.091 108.867 -172.31 0.0000 11 O4 Oh S 9 7 6 1.455 110.952 69.39 -0.7000 12 H4O Ho E 11 9 7 0.964 110.377 163.16 0.4250 13 C3 Cg 3 9 7 6 1.545 111.117 -51.77 0.2530 14 H3 H1 E 13 9 7 1.091 109.391 173.95 0.0000 15 O3 Oh S 13 9 7 1.452 107.992 -68.85 -0.7100 16 H3O Ho E 15 13 9 0.968 107.267 175.38 0.4420 17 C2 Cg B 13 9 7 1.547 111.988 52.75 0.3080 18 H2 H1 E 17 13 9 1.091 108.509 65.85 0.0000 19 O2 Oh S 17 13 9 1.462 109.337 -176.76 -0.7100 20 H2O Ho E 19 17 13 0.965 108.091 178.76 0.4260 21 C6 Cg M 7 6 4 1.542 109.430 -179.47 0.2590 22 H62 H1 E 21 7 6 1.090 110.533 -58.28 0.0000 23 H61 H1 E 21 7 6 1.090 110.096 -177.88 0.0000 24 O6 Os M 21 7 6 1.441 110.162 62.18 -0.4480 LOOP C2 C1 DONE 6LA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650 5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000 6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390 7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000 8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240 9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310 10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530 11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000 12 O3 Oh S 10 6 4 1.440 110.035 -174.48 -0.7010 13 H3O Ho E 12 10 6 0.960 109.438 -57.69 0.4330 14 C4 Cg M 10 6 4 1.544 111.714 -53.08 0.2040 15 H4 H1 E 14 10 6 1.091 109.766 175.51 0.0000 16 O4 Oh S 14 10 6 1.445 109.785 -64.95 -0.6730 17 H4O Ho E 16 14 10 0.960 109.470 179.80 0.4360 18 C5 Cg M 14 10 6 1.544 110.422 54.48 0.2160 19 H5 H1 E 18 14 10 1.092 107.514 62.91 0.0000 20 O5 Os E 18 14 10 1.490 109.289 -54.45 -0.5270 21 C6 Cg M 18 14 10 1.535 114.934 -177.18 0.3080 22 H62 H1 E 21 18 14 1.090 110.251 -53.15 0.0000 23 H61 H1 E 21 18 14 1.091 110.918 67.08 0.0000 24 O6 Os M 21 18 14 1.434 108.858 -172.60 -0.4600 LOOP O5 C1 DONE 6LB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740 5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000 6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020 7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400 8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000 9 C4 Cg 3 7 6 4 1.545 110.103 55.47 0.2030 10 H4 H1 E 9 7 6 1.091 109.333 -173.92 0.0000 11 O4 Oh S 9 7 6 1.449 109.628 67.34 -0.6640 12 H4O Ho E 11 9 7 0.967 107.158 -172.89 0.4370 13 C3 Cg 3 9 7 6 1.546 110.517 -53.62 0.2590 14 H3 H1 E 13 9 7 1.092 108.098 -64.81 0.0000 15 O3 Oh S 13 9 7 1.455 109.126 178.29 -0.6940 16 H3O Ho E 15 13 9 0.967 107.449 -176.92 0.4330 17 C2 Cg B 13 9 7 1.547 112.254 55.04 0.3570 18 H2 H1 E 17 13 9 1.092 109.716 67.43 0.0000 19 O2 Oh S 17 13 9 1.459 108.705 -173.71 -0.7260 20 H2O Ho E 19 17 13 0.965 107.724 175.67 0.4320 21 C6 Cg M 7 6 4 1.539 109.777 -179.32 0.3190 22 H62 H1 E 21 7 6 1.091 110.848 -57.06 0.0000 23 H61 H1 E 21 7 6 1.090 110.337 -177.30 0.0000 24 O6 Os M 21 7 6 1.437 109.027 63.12 -0.4680 LOOP C2 C1 DONE 6MA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330 5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000 6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450 7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000 8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170 9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460 10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520 11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000 12 O3 Oh S 10 6 4 1.461 109.595 -177.93 -0.6960 13 H3O Ho E 12 10 6 0.964 109.699 -74.81 0.4310 14 C4 Cg M 10 6 4 1.549 111.609 -54.79 0.3260 15 H4 H1 E 14 10 6 1.091 109.865 -64.38 0.0000 16 O4 Oh S 14 10 6 1.452 108.734 176.59 -0.7330 17 H4O Ho E 16 14 10 0.966 107.267 52.91 0.4380 18 C5 Cg M 14 10 6 1.546 110.605 57.15 0.2760 19 H5 H1 E 18 14 10 1.092 108.214 65.71 0.0000 20 O5 Os E 18 14 10 1.497 110.394 -52.31 -0.5070 21 C6 Cg M 18 14 10 1.544 112.153 -174.59 0.2660 22 H62 H1 E 21 18 14 1.090 110.579 -46.84 0.0000 23 H61 H1 E 21 18 14 1.091 110.051 72.33 0.0000 24 O6 Os M 21 18 14 1.444 110.952 -166.67 -0.4600 LOOP O5 C1 DONE 6MB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140 5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000 6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930 7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060 8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000 9 C4 Cg 3 7 6 4 1.550 110.843 51.87 0.3490 10 H4 H1 E 9 7 6 1.091 109.789 70.94 0.0000 11 O4 Oh S 9 7 6 1.452 108.352 -170.58 -0.7460 12 H4O Ho E 11 9 7 0.963 108.380 -159.72 0.4430 13 C3 Cg 3 9 7 6 1.553 110.419 -50.51 0.2630 14 H3 H1 E 13 9 7 1.092 108.588 -60.79 0.0000 15 O3 Oh S 13 9 7 1.457 111.995 -178.50 -0.6920 16 H3O Ho E 15 13 9 0.962 109.624 81.59 0.4300 17 C2 Cg B 13 9 7 1.547 110.623 57.43 0.2410 18 H2 H1 E 17 13 9 1.091 110.076 180.00 0.0000 19 O2 Oh S 17 13 9 1.459 110.769 59.28 -0.6640 20 H2O Ho E 19 17 13 0.964 107.524 -173.81 0.4310 21 C6 Cg M 7 6 4 1.539 108.924 175.37 0.2730 22 H62 H1 E 21 7 6 1.091 110.262 -62.70 0.0000 23 H61 H1 E 21 7 6 1.090 110.558 177.52 0.0000 24 O6 Os M 21 7 6 1.439 109.850 57.44 -0.4550 LOOP C2 C1 DONE 6NA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780 5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000 6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280 7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000 8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680 9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150 10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300 11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000 12 O3 Oh S 10 6 4 1.445 109.604 67.22 -0.7140 13 H3O Ho E 12 10 6 0.960 109.446 176.58 0.4410 14 C4 Cg M 10 6 4 1.543 108.602 -52.73 0.1670 15 H4 H1 E 14 10 6 1.091 108.011 -66.83 0.0000 16 O4 Oh S 14 10 6 1.439 109.206 176.30 -0.7330 17 H4O Ho E 16 14 10 0.960 109.442 -63.39 0.4440 18 C5 Cg M 14 10 6 1.545 113.659 53.52 0.4040 19 H5 H1 E 18 14 10 1.092 109.059 65.09 0.0000 20 O5 Os E 18 14 10 1.489 108.589 -53.11 -0.6110 21 C6 Cg M 18 14 10 1.535 113.747 -172.97 0.2800 22 H62 H1 E 21 18 14 1.090 110.540 -56.41 0.0000 23 H61 H1 E 21 18 14 1.091 110.668 63.75 0.0000 24 O6 Os M 21 18 14 1.434 109.011 -175.88 -0.4610 LOOP O5 C1 DONE 6NB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220 5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000 6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070 7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980 8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000 9 C4 Cg 3 7 6 4 1.547 108.536 56.26 0.2860 10 H4 H1 E 9 7 6 1.091 108.641 63.49 0.0000 11 O4 Oh S 9 7 6 1.447 110.674 -178.31 -0.7070 12 H4O Ho E 11 9 7 0.966 108.053 84.25 0.4300 13 C3 Cg 3 9 7 6 1.546 111.303 -56.16 0.2340 14 H3 H1 E 13 9 7 1.092 109.685 177.82 0.0000 15 O3 Oh S 13 9 7 1.458 109.719 -63.09 -0.6150 16 H3O Ho E 15 13 9 0.967 107.516 169.04 0.3890 17 C2 Cg B 13 9 7 1.544 109.920 57.50 0.3010 18 H2 H1 E 17 13 9 1.093 108.226 64.66 0.0000 19 O2 Oh S 17 13 9 1.458 109.185 -178.16 -0.7030 20 H2O Ho E 19 17 13 0.966 108.382 -178.62 0.4240 21 C6 Cg M 7 6 4 1.541 109.542 179.74 0.3130 22 H62 H1 E 21 7 6 1.090 110.338 -62.12 0.0000 23 H61 H1 E 21 7 6 1.090 110.689 177.70 0.0000 24 O6 Os M 21 7 6 1.438 109.178 57.79 -0.4650 LOOP C2 C1 DONE 6PD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240 5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860 6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000 7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000 8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910 9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190 10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340 11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000 12 O3 Oh S 10 4 3 1.441 114.290 -111.78 -0.6610 13 H3O Ho E 12 10 4 0.960 109.502 178.91 0.4150 14 C4 Cg M 10 4 3 1.629 107.129 121.35 0.2820 15 H4 H1 E 14 10 4 1.091 111.828 -141.87 0.0000 16 O4 Oh S 14 10 4 1.437 109.593 96.29 -0.6830 17 H4O Ho E 16 14 10 0.960 109.464 62.85 0.4210 18 C5 Cg M 14 10 4 1.626 106.867 -18.01 0.1940 19 H5 H1 E 18 14 10 1.092 111.109 129.12 0.0000 20 O5 Os E 18 14 10 1.580 105.532 10.85 -0.4530 21 C6 Cg M 18 14 10 1.529 112.801 -107.47 0.2910 22 H62 H1 E 21 18 14 1.091 110.695 60.83 0.0000 23 H61 H1 E 21 18 14 1.090 110.281 -59.44 0.0000 24 O6 Os M 21 18 14 1.433 108.604 -178.96 -0.4780 LOOP O5 C2 DONE 6PU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880 5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650 6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000 7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000 8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870 9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180 10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800 11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690 12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000 13 C4 Cg 3 11 10 4 1.623 105.494 -8.76 0.1920 14 H4 H1 E 13 11 10 1.091 112.074 133.66 0.0000 15 O4 Oh S 13 11 10 1.438 106.122 -107.17 -0.7110 16 H4O Ho E 15 13 11 0.960 109.445 -63.95 0.4380 17 C3 Cg B 13 11 10 1.631 107.338 11.41 0.3340 18 H3 H1 E 17 13 11 1.091 107.070 107.51 0.0000 19 O3 Oh S 17 13 11 1.441 112.809 -134.73 -0.7140 20 H3O Ho E 19 17 13 0.960 109.493 -55.92 0.4240 21 C6 Cg M 11 10 4 1.529 108.414 112.31 0.2150 22 H62 H1 E 21 11 10 1.091 110.659 -56.54 0.0000 23 H61 H1 E 21 11 10 1.090 110.301 -176.80 0.0000 24 O6 Os M 21 11 10 1.433 108.649 63.62 -0.4510 LOOP C3 C2 DONE 6TA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560 5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000 6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450 7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000 8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550 9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360 10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240 11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000 12 O3 Oh S 10 6 4 1.439 110.774 -174.86 -0.6870 13 H3O Ho E 12 10 6 0.960 109.479 -54.69 0.4420 14 C4 Cg M 10 6 4 1.543 114.910 -48.48 0.4340 15 H4 H1 E 14 10 6 1.091 109.633 172.69 0.0000 16 O4 Oh S 14 10 6 1.443 110.261 -67.82 -0.7310 17 H4O Ho E 16 14 10 0.960 109.459 -179.88 0.4170 18 C5 Cg M 14 10 6 1.544 109.739 52.34 0.1570 19 H5 H1 E 18 14 10 1.092 107.463 63.77 0.0000 20 O5 Os E 18 14 10 1.488 109.541 -53.52 -0.4800 21 C6 Cg M 18 14 10 1.535 114.896 -176.35 0.3040 22 H62 H1 E 21 18 14 1.090 110.263 -52.86 0.0000 23 H61 H1 E 21 18 14 1.091 110.896 67.37 0.0000 24 O6 Os M 21 18 14 1.434 108.863 -172.31 -0.4620 LOOP O5 C1 DONE 6TB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060 5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000 6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540 7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310 8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000 9 C4 Cg 3 7 6 4 1.547 109.426 59.69 0.3140 10 H4 H1 E 9 7 6 1.091 109.475 -172.25 0.0000 11 O4 Oh S 9 7 6 1.443 108.917 69.31 -0.6260 12 H4O Ho E 11 9 7 0.960 109.455 59.28 0.4130 13 C3 Cg 3 9 7 6 1.547 110.218 -51.66 0.1740 14 H3 H1 E 13 9 7 1.091 106.762 -67.21 0.0000 15 O3 Oh S 13 9 7 1.439 110.707 177.22 -0.6780 16 H3O Ho E 15 13 9 0.960 109.373 -64.34 0.4250 17 C2 Cg B 13 9 7 1.545 114.890 50.96 0.3400 18 H2 H1 E 17 13 9 1.091 109.957 -172.30 0.0000 19 O2 Oh S 17 13 9 1.444 109.766 67.90 -0.6370 20 H2O Ho E 19 17 13 0.960 109.413 -178.32 0.3970 21 C6 Cg M 7 6 4 1.535 108.872 -173.68 0.3490 22 H62 H1 E 21 7 6 1.091 110.886 -56.26 0.0000 23 H61 H1 E 21 7 6 1.090 110.278 -176.51 0.0000 24 O6 Os M 21 7 6 1.434 108.837 64.00 -0.4540 LOOP C2 C1 DONE 6VA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890 5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000 6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990 7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000 8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950 9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380 10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250 11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320 12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000 13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000 14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000 15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050 16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760 17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000 18 O3 Oh S 16 6 4 1.462 112.217 -176.56 -0.6780 19 H3O Ho E 18 16 6 0.964 110.475 -57.52 0.4250 20 C4 Cg M 16 6 4 1.547 111.657 -53.80 0.3260 21 H4 H1 E 20 16 6 1.091 109.161 175.84 0.0000 22 O4 Oh S 20 16 6 1.450 108.917 -66.09 -0.7010 23 H4O Ho E 22 20 16 0.968 106.613 -47.88 0.4420 24 C5 Cg M 20 16 6 1.548 111.081 55.51 0.1120 25 H5 H1 E 24 20 16 1.091 106.814 64.45 0.0000 26 O5 Os E 24 20 16 1.497 110.914 -51.89 -0.4660 27 C6 Cg M 24 20 16 1.543 114.704 -178.15 0.3620 28 H62 H1 E 27 24 20 1.090 110.167 -176.18 0.0000 29 H61 H1 E 27 24 20 1.090 109.608 -57.43 0.0000 30 O6 Os M 27 24 20 1.435 111.052 62.92 -0.4810 LOOP O5 C1 DONE 6VB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050 5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000 6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080 7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360 8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000 9 C4 Cg 3 7 6 4 1.544 110.300 53.58 0.2530 10 H4 H1 E 9 7 6 1.091 109.265 -173.55 0.0000 11 O4 Oh S 9 7 6 1.445 109.653 67.69 -0.6900 12 H4O Ho E 11 9 7 0.968 108.059 -163.84 0.4400 13 C3 Cg 3 9 7 6 1.544 111.265 -52.85 0.1520 14 H3 H1 E 13 9 7 1.092 108.104 -62.30 0.0000 15 O3 Oh S 13 9 7 1.462 108.677 -178.29 -0.6650 16 H3O Ho E 15 13 9 0.963 111.335 83.35 0.4150 17 C2 Cg B 13 9 7 1.558 111.369 56.32 0.5440 18 H2 H1 E 17 13 9 1.091 108.714 61.92 0.0000 19 N2 Ng B 17 13 9 1.481 110.595 -177.69 -0.6860 20 H2N H E 19 17 13 1.005 118.080 75.06 0.2540 21 C2N C B 19 17 13 1.336 122.747 -106.72 0.5860 22 O2N O E 21 19 17 1.227 122.402 0.23 -0.5640 23 CME Cg 3 21 19 17 1.543 116.272 179.61 0.0560 24 H3M Hc E 23 21 19 1.092 110.645 35.56 0.0000 25 H2M Hc E 23 21 19 1.091 109.982 155.53 0.0000 26 H1M Hc E 23 21 19 1.091 109.419 -84.79 0.0000 27 C6 Cg M 7 6 4 1.539 109.857 178.62 0.3530 28 H62 H1 E 27 7 6 1.090 110.929 -56.55 0.0000 29 H61 H1 E 27 7 6 1.091 110.331 -176.87 0.0000 30 O6 Os M 27 7 6 1.436 108.896 63.69 -0.4810 LOOP C2 C1 DONE 6WA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621 5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000 6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750 7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000 8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751 9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142 10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909 11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340 12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000 13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000 14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000 15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757 16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520 17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000 18 O3 Oh S 16 6 4 1.455 110.348 -176.42 -0.6987 19 H3O Ho E 18 16 6 0.965 109.543 171.31 0.4159 20 C4 Cg M 16 6 4 1.550 112.400 -53.90 0.3213 21 H4 H1 E 20 16 6 1.091 108.333 -69.37 0.0000 22 O4 Oh S 20 16 6 1.458 109.485 172.59 -0.7305 23 H4O Ho E 22 20 16 0.964 111.017 -55.33 0.4424 24 C5 Cg M 20 16 6 1.547 112.664 51.61 0.2421 25 H5 H1 E 24 20 16 1.092 107.873 70.23 0.0000 26 O5 Os E 24 20 16 1.495 111.317 -46.63 -0.5415 27 C6 Cg M 24 20 16 1.545 113.564 -171.33 0.2995 28 H62 H1 E 27 24 20 1.090 109.575 173.73 0.0000 29 H61 H1 E 27 24 20 1.090 109.924 -68.06 0.0000 30 O6 Os M 27 24 20 1.443 112.033 52.74 -0.4599 LOOP O5 C1 DONE 6WB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870 5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000 6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980 7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210 8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000 9 C4 Cg 3 7 6 4 1.549 109.860 56.38 0.2770 10 H4 H1 E 9 7 6 1.092 109.334 70.38 0.0000 11 O4 Oh S 9 7 6 1.447 108.932 -170.99 -0.7430 12 H4O Ho E 11 9 7 0.968 107.478 170.69 0.4390 13 C3 Cg 3 9 7 6 1.551 111.754 -50.66 0.2170 14 H3 H1 E 13 9 7 1.092 108.749 -66.35 0.0000 15 O3 Oh S 13 9 7 1.458 109.433 176.28 -0.6580 16 H3O Ho E 15 13 9 0.972 110.221 -149.04 0.4130 17 C2 Cg B 13 9 7 1.550 112.012 52.70 0.2940 18 H2 H1 E 17 13 9 1.092 107.937 -171.40 0.0000 19 N2 Ng B 17 13 9 1.485 111.811 69.61 -0.5580 20 H2N H E 19 17 13 1.007 117.378 -91.94 0.2650 21 C2N C B 19 17 13 1.337 123.528 90.12 0.5850 22 O2N O E 21 19 17 1.229 121.350 -4.57 -0.6000 23 CME Cg 3 21 19 17 1.544 116.722 177.13 0.0560 24 H3M Hc E 23 21 19 1.092 111.211 -15.23 0.0000 25 H2M Hc E 23 21 19 1.091 109.840 -135.47 0.0000 26 H1M Hc E 23 21 19 1.090 109.199 104.92 0.0000 27 C6 Cg M 7 6 4 1.542 108.838 -179.98 0.2470 28 H62 H1 E 27 7 6 1.091 110.098 -62.68 0.0000 29 H61 H1 E 27 7 6 1.090 110.437 177.81 0.0000 30 O6 Os M 27 7 6 1.442 110.379 57.48 -0.4440 LOOP C2 C1 DONE 6YA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680 5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000 6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450 7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000 8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880 11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630 12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000 13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000 14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000 15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790 16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 18 O3 Oh S 16 6 4 1.457 109.988 -171.07 -0.6300 19 H3O Ho E 18 16 6 0.977 109.893 -12.80 0.4130 20 C4 Cg M 16 6 4 1.546 112.211 -50.71 0.3220 21 H4 H1 E 20 16 6 1.091 108.977 -70.26 0.0000 22 O4 Oh S 20 16 6 1.448 107.905 171.55 -0.7330 23 H4O Ho E 22 20 16 0.967 106.060 48.68 0.4490 24 C5 Cg M 20 16 6 1.544 112.523 51.74 0.2460 25 H5 H1 E 24 20 16 1.092 108.088 68.11 0.0000 26 O5 Os E 24 20 16 1.500 111.305 -49.14 -0.5680 27 C6 Cg M 24 20 16 1.544 112.817 -173.43 0.3280 28 H62 H1 E 27 24 20 1.090 110.073 -62.63 0.0000 29 H61 H1 E 27 24 20 1.090 109.603 179.01 0.0000 30 O6 Os M 27 24 20 1.444 111.701 58.39 -0.4610 LOOP O5 C1 DONE 6YB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870 5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000 6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330 7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080 8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000 9 C4 Cg 3 7 6 4 1.542 108.679 57.57 0.3020 10 H4 H1 E 9 7 6 1.092 109.552 66.23 0.0000 11 O4 Oh S 9 7 6 1.444 108.611 -175.00 -0.7160 12 H4O Ho E 11 9 7 0.967 106.789 174.20 0.4360 13 C3 Cg 3 9 7 6 1.547 111.743 -55.34 0.1800 14 H3 H1 E 13 9 7 1.092 108.855 -63.61 0.0000 15 O3 Oh S 13 9 7 1.462 108.350 179.31 -0.6810 16 H3O Ho E 15 13 9 0.964 110.728 170.98 0.4230 17 C2 Cg B 13 9 7 1.555 110.847 55.82 0.4800 18 H2 H1 E 17 13 9 1.092 108.016 63.51 0.0000 19 N2 Ng B 17 13 9 1.484 110.897 -176.40 -0.7220 20 H2N H E 19 17 13 1.006 117.592 78.54 0.3000 21 C2N C B 19 17 13 1.336 123.143 -111.93 0.6480 22 O2N O E 21 19 17 1.226 122.116 6.61 -0.5760 23 CME Cg 3 21 19 17 1.542 116.434 -175.43 0.0340 24 H3M Hc E 23 21 19 1.092 110.630 37.74 0.0000 25 H2M Hc E 23 21 19 1.091 110.076 157.79 0.0000 26 H1M Hc E 23 21 19 1.091 109.335 -82.58 0.0000 27 C6 Cg M 7 6 4 1.540 109.520 -179.10 0.2890 28 H62 H1 E 27 7 6 1.091 110.298 -62.00 0.0000 29 H61 H1 E 27 7 6 1.090 110.526 178.17 0.0000 30 O6 Os M 27 7 6 1.439 109.712 58.17 -0.4590 LOOP C2 C1 DONE 6bD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410 5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130 6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000 7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000 8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680 9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140 10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520 11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710 12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000 13 C4 Cg 3 11 10 4 1.626 104.732 -0.82 0.2250 14 H4 H1 E 13 11 10 1.091 107.421 106.22 0.0000 15 O4 Oh S 13 11 10 1.457 113.168 -134.63 -0.7100 16 H4O Ho E 15 13 11 0.965 109.577 -164.20 0.4350 17 C3 Cg B 13 11 10 1.636 107.413 -10.45 0.4400 18 H3 H1 E 17 13 11 1.090 107.628 -98.64 0.0000 19 O3 Oh S 17 13 11 1.453 110.696 144.44 -0.7320 20 H3O Ho E 19 17 13 0.959 109.052 117.13 0.4040 21 C6 Cg M 11 10 4 1.543 109.502 -125.08 0.2810 22 H61 H1 E 21 11 10 1.090 110.249 169.67 0.0000 23 H62 H1 E 21 11 10 1.091 109.980 50.42 0.0000 24 O6 Os M 21 11 10 1.443 110.886 -70.57 -0.4620 LOOP C3 C2 DONE 6bU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470 5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990 6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000 7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000 8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270 9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820 10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820 11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000 12 O3 Oh S 10 4 3 1.455 113.678 34.22 -0.7420 13 H3O Ho E 12 10 4 0.963 108.479 -78.45 0.4260 14 C4 Cg M 10 4 3 1.637 107.249 157.15 0.2830 15 H4 H1 E 14 10 4 1.091 108.865 -102.82 0.0000 16 O4 Oh S 14 10 4 1.453 111.864 137.73 -0.7550 17 H4O Ho E 16 14 10 0.964 109.402 67.17 0.4340 18 C5 Cg M 14 10 4 1.624 107.577 13.45 0.2100 19 H5 H1 E 18 14 10 1.091 108.969 -127.62 0.0000 20 O5 Os E 18 14 10 1.582 104.801 -11.31 -0.3850 21 C6 Cg M 18 14 10 1.541 114.994 109.54 0.3320 22 H61 H1 E 21 18 14 1.090 109.861 59.82 0.0000 23 H62 H1 E 21 18 14 1.090 110.302 -59.54 0.0000 24 O6 Os M 21 18 14 1.442 110.695 179.56 -0.4860 LOOP O5 C2 DONE 6cD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840 5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700 6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000 7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000 8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880 9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140 10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980 11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090 12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000 13 C4 Cg 3 11 10 4 1.621 104.926 0.33 0.3320 14 H4 H1 E 13 11 10 1.091 111.196 -131.00 0.0000 15 O4 Oh S 13 11 10 1.453 109.530 109.63 -0.7840 16 H4O Ho E 15 13 11 0.965 110.375 -68.04 0.4440 17 C3 Cg B 13 11 10 1.638 107.987 -8.85 0.2820 18 H3 H1 E 17 13 11 1.091 111.251 134.95 0.0000 19 O3 Oh S 17 13 11 1.460 108.216 -106.61 -0.7160 20 H3O Ho E 19 17 13 0.965 109.355 -77.40 0.4320 21 C6 Cg M 11 10 4 1.538 110.489 -119.98 0.2650 22 H61 H1 E 21 11 10 1.090 109.956 165.98 0.0000 23 H62 H1 E 21 11 10 1.091 109.952 47.12 0.0000 24 O6 Os M 21 11 10 1.442 111.246 -74.00 -0.4460 LOOP C3 C2 DONE 6cU INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390 5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870 6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000 7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000 8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240 9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010 10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330 11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000 12 O3 Oh S 10 4 3 1.439 111.311 -80.89 -0.6910 13 H3O Ho E 12 10 4 0.960 109.418 61.51 0.4100 14 C4 Cg M 10 4 3 1.624 107.103 164.76 0.2930 15 H4 H1 E 14 10 4 1.092 112.868 136.79 0.0000 16 O4 Oh S 14 10 4 1.434 107.032 -103.41 -0.7630 17 H4O Ho E 16 14 10 0.960 109.480 178.44 0.4310 18 C5 Cg M 14 10 4 1.622 107.882 12.29 0.3100 19 H5 H1 E 18 14 10 1.092 110.981 -127.12 0.0000 20 O5 Os E 18 14 10 1.577 105.503 -8.77 -0.4490 21 C6 Cg M 18 14 10 1.529 112.711 109.36 0.2720 22 H61 H1 E 21 18 14 1.090 110.315 59.90 0.0000 23 H62 H1 E 21 18 14 1.091 110.618 -60.32 0.0000 24 O6 Os M 21 18 14 1.433 108.667 179.51 -0.4490 LOOP O5 C2 DONE 6eA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800 5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000 6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870 7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740 8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000 9 C4 Cg 3 7 6 4 1.541 107.816 -56.28 0.2610 10 H4 H1 E 9 7 6 1.091 108.456 -65.22 0.0000 11 O4 Oh S 9 7 6 1.439 109.886 177.28 -0.7210 12 H4O Ho E 11 9 7 0.960 109.412 -63.34 0.4150 13 C3 Cg 3 9 7 6 1.544 113.133 54.81 0.3280 14 H3 H1 E 13 9 7 1.091 109.843 -174.05 0.0000 15 O3 Oh S 13 9 7 1.442 110.012 67.08 -0.7140 16 H3O Ho E 15 13 9 0.960 109.461 179.72 0.4200 17 C2 Cg B 13 9 7 1.541 111.809 -51.50 0.1790 18 H2 H1 E 17 13 9 1.092 109.967 169.74 0.0000 19 O2 Oh S 17 13 9 1.437 107.327 -73.67 -0.6900 20 H2O Ho E 19 17 13 0.960 109.486 -178.36 0.4470 21 C6 Cg M 7 6 4 1.535 107.746 -179.76 0.2590 22 H61 H1 E 21 7 6 1.091 110.727 55.96 0.0000 23 H62 H1 E 21 7 6 1.090 110.525 176.17 0.0000 24 O6 Os M 21 7 6 1.434 108.916 -64.43 -0.4510 LOOP C2 C1 DONE 6eB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880 5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000 6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840 7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000 8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970 9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320 10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150 11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000 12 O3 Oh S 10 6 4 1.454 108.210 -66.23 -0.6810 13 H3O Ho E 12 10 6 0.965 108.397 172.17 0.4030 14 C4 Cg M 10 6 4 1.554 111.264 55.47 0.3200 15 H4 H1 E 14 10 6 1.091 108.716 63.72 0.0000 16 O4 Oh S 14 10 6 1.457 110.079 -178.65 -0.7240 17 H4O Ho E 16 14 10 0.964 110.039 -78.83 0.4200 18 C5 Cg M 14 10 6 1.549 111.196 -55.77 0.2570 19 H5 H1 E 18 14 10 1.092 109.111 -65.44 0.0000 20 O5 Os E 18 14 10 1.501 109.730 53.07 -0.5320 21 C6 Cg M 18 14 10 1.541 112.018 174.42 0.2780 22 H61 H1 E 21 18 14 1.090 110.614 60.34 0.0000 23 H62 H1 E 21 18 14 1.091 110.136 -59.38 0.0000 24 O6 Os M 21 18 14 1.439 109.977 -179.42 -0.4630 LOOP O5 C1 DONE 6gA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090 5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000 6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740 7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830 8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000 9 C4 Cg 3 7 6 4 1.543 109.539 -53.99 0.2540 10 H4 H1 E 9 7 6 1.092 109.342 -68.48 0.0000 11 O4 Oh S 9 7 6 1.451 108.995 172.71 -0.7100 12 H4O Ho E 11 9 7 0.968 107.227 -172.23 0.4360 13 C3 Cg 3 9 7 6 1.547 111.254 52.54 0.2860 14 H3 H1 E 13 9 7 1.092 109.616 66.99 0.0000 15 O3 Oh S 13 9 7 1.452 108.604 -174.42 -0.6990 16 H3O Ho E 15 13 9 0.967 107.382 165.20 0.4270 17 C2 Cg B 13 9 7 1.543 112.114 -54.50 0.2460 18 H2 H1 E 17 13 9 1.091 108.373 -65.99 0.0000 19 O2 Oh S 17 13 9 1.465 110.086 176.46 -0.7130 20 H2O Ho E 19 17 13 0.967 109.170 -83.89 0.4370 21 C6 Cg M 7 6 4 1.546 109.651 -177.94 0.2760 22 H61 H1 E 21 7 6 1.091 110.014 48.88 0.0000 23 H62 H1 E 21 7 6 1.090 110.682 168.12 0.0000 24 O6 Os M 21 7 6 1.444 110.823 -72.03 -0.4580 LOOP C2 C1 DONE 6gB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840 5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000 6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100 7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000 8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180 9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370 10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840 11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000 12 O3 Oh S 10 6 4 1.454 109.219 172.60 -0.7090 13 H3O Ho E 12 10 6 0.967 107.396 52.27 0.4320 14 C4 Cg M 10 6 4 1.548 112.113 51.91 0.2760 15 H4 H1 E 14 10 6 1.092 109.378 67.39 0.0000 16 O4 Oh S 14 10 6 1.448 109.104 -173.75 -0.7140 17 H4O Ho E 16 14 10 0.967 107.435 -50.50 0.4400 18 C5 Cg M 14 10 6 1.543 111.306 -53.55 0.2250 19 H5 H1 E 18 14 10 1.092 109.126 -64.00 0.0000 20 O5 Os E 18 14 10 1.495 108.909 54.04 -0.4710 21 C6 Cg M 18 14 10 1.541 112.515 175.39 0.2820 22 H61 H1 E 21 18 14 1.090 110.609 61.43 0.0000 23 H62 H1 E 21 18 14 1.091 110.212 -58.37 0.0000 24 O6 Os M 21 18 14 1.440 109.810 -178.39 -0.4580 LOOP O5 C1 DONE 6jD INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920 5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890 6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000 7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000 8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540 9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800 10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100 11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900 12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000 13 C4 Cg 3 11 10 4 1.625 104.597 1.92 0.2330 14 H4 H1 E 13 11 10 1.090 107.076 101.60 0.0000 15 O4 Oh S 13 11 10 1.458 113.707 -139.62 -0.6710 16 H4O Ho E 15 13 11 0.965 110.086 -134.30 0.4140 17 C3 Cg B 13 11 10 1.642 107.375 -13.44 0.3930 18 H3 H1 E 17 13 11 1.091 111.073 142.12 0.0000 19 O3 Oh S 17 13 11 1.455 107.927 -98.38 -0.7480 20 H3O Ho E 19 17 13 0.969 106.278 -23.03 0.4460 21 C6 Cg M 11 10 4 1.542 109.417 -121.68 0.3400 22 H61 H1 E 21 11 10 1.090 110.186 170.13 0.0000 23 H62 H1 E 21 11 10 1.090 110.250 50.63 0.0000 24 O6 Os M 21 11 10 1.441 110.517 -70.42 -0.4940 LOOP C3 C2 DONE 6jU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510 5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330 6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000 7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000 8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970 9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150 10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230 11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000 12 O3 Oh S 10 4 3 1.460 110.322 -92.24 -0.6710 13 H3O Ho E 12 10 4 0.971 106.808 11.93 0.4160 14 C4 Cg M 10 4 3 1.639 106.529 149.37 0.2840 15 H4 H1 E 14 10 4 1.091 107.844 -100.60 0.0000 16 O4 Oh S 14 10 4 1.442 112.118 140.35 -0.6570 17 H4O Ho E 16 14 10 0.969 105.977 -9.00 0.4100 18 C5 Cg M 14 10 4 1.619 107.844 15.28 0.1000 19 H5 H1 E 18 14 10 1.089 109.205 -129.69 0.0000 20 O5 Os E 18 14 10 1.585 104.895 -12.75 -0.3890 21 C6 Cg M 18 14 10 1.537 115.282 106.51 0.3490 22 H61 H1 E 21 18 14 1.090 111.054 58.46 0.0000 23 H62 H1 E 21 18 14 1.089 110.316 -62.25 0.0000 24 O6 Os M 21 18 14 1.435 108.026 178.22 -0.4670 LOOP O5 C2 DONE 6kA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730 5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000 6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400 7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010 8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000 9 C4 Cg 3 7 6 4 1.549 109.902 -56.18 0.1960 10 H4 H1 E 9 7 6 1.091 109.347 173.46 0.0000 11 O4 Oh S 9 7 6 1.440 109.315 -68.60 -0.7120 12 H4O Ho E 11 9 7 0.960 109.466 -58.47 0.4200 13 C3 Cg 3 9 7 6 1.541 113.058 50.90 0.3540 14 H3 H1 E 13 9 7 1.091 110.148 -170.51 0.0000 15 O3 Oh S 13 9 7 1.440 107.217 72.05 -0.7440 16 H3O Ho E 15 13 9 0.960 109.437 179.14 0.4360 17 C2 Cg B 13 9 7 1.544 111.196 -48.50 0.2810 18 H2 H1 E 17 13 9 1.091 106.696 -68.80 0.0000 19 O2 Oh S 17 13 9 1.439 110.836 175.80 -0.7160 20 H2O Ho E 19 17 13 0.960 109.409 -65.65 0.4270 21 C6 Cg M 7 6 4 1.535 108.811 177.23 0.2870 22 H61 H1 E 21 7 6 1.091 110.887 56.16 0.0000 23 H62 H1 E 21 7 6 1.090 110.246 176.37 0.0000 24 O6 Os M 21 7 6 1.434 108.908 -64.18 -0.4630 LOOP C2 C1 DONE 6kB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490 5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000 6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080 7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000 8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100 9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260 10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530 11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000 12 O3 Oh S 10 6 4 1.452 110.271 -66.88 -0.7100 13 H3O Ho E 12 10 6 0.968 107.267 -52.72 0.4420 14 C4 Cg M 10 6 4 1.545 111.988 53.40 0.2170 15 H4 H1 E 14 10 6 1.091 109.393 -172.98 0.0000 16 O4 Oh S 14 10 6 1.455 108.780 69.68 -0.7000 17 H4O Ho E 16 14 10 0.964 110.377 74.31 0.4250 18 C5 Cg M 14 10 6 1.553 111.117 -52.75 0.3030 19 H5 H1 E 18 14 10 1.092 107.789 -66.12 0.0000 20 O5 Os E 18 14 10 1.499 110.891 51.77 -0.5140 21 C6 Cg M 18 14 10 1.542 113.025 175.07 0.2590 22 H61 H1 E 21 18 14 1.090 110.096 53.77 0.0000 23 H62 H1 E 21 18 14 1.090 110.533 -65.83 0.0000 24 O6 Os M 21 18 14 1.441 110.162 173.71 -0.4480 LOOP O5 C1 DONE 6lA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650 5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000 6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270 7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160 8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000 9 C4 Cg 3 7 6 4 1.544 109.289 -57.41 0.2040 10 H4 H1 E 9 7 6 1.091 109.671 175.54 0.0000 11 O4 Oh S 9 7 6 1.445 108.372 -65.83 -0.6730 12 H4O Ho E 11 9 7 0.960 109.470 -59.12 0.4360 13 C3 Cg 3 9 7 6 1.544 110.422 54.45 0.2530 14 H3 H1 E 13 9 7 1.091 108.559 66.00 0.0000 15 O3 Oh S 13 9 7 1.440 109.147 -176.39 -0.7010 16 H3O Ho E 15 13 9 0.960 109.438 -179.39 0.4330 17 C2 Cg B 13 9 7 1.541 111.714 -54.48 0.3390 18 H2 H1 E 17 13 9 1.091 108.995 -66.63 0.0000 19 O2 Oh S 17 13 9 1.440 110.049 175.31 -0.7240 20 H2O Ho E 19 17 13 0.960 109.415 -62.60 0.4310 21 C6 Cg M 7 6 4 1.535 108.875 176.32 0.3080 22 H61 H1 E 21 7 6 1.091 110.918 55.87 0.0000 23 H62 H1 E 21 7 6 1.090 110.251 176.10 0.0000 24 O6 Os M 21 7 6 1.434 108.858 -64.45 -0.4600 LOOP C2 C1 DONE 6lB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740 5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000 6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570 7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000 8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260 9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320 10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590 11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000 12 O3 Oh S 10 6 4 1.455 110.815 175.60 -0.6940 13 H3O Ho E 12 10 6 0.967 107.449 52.82 0.4330 14 C4 Cg M 10 6 4 1.546 112.254 53.31 0.2030 15 H4 H1 E 14 10 6 1.091 109.260 -175.38 0.0000 16 O4 Oh S 14 10 6 1.449 109.638 65.91 -0.6640 17 H4O Ho E 16 14 10 0.967 107.158 51.40 0.4370 18 C5 Cg M 14 10 6 1.545 110.517 -55.04 0.1400 19 H5 H1 E 18 14 10 1.092 107.648 -63.90 0.0000 20 O5 Os E 18 14 10 1.495 110.103 53.62 -0.4020 21 C6 Cg M 18 14 10 1.539 113.155 176.88 0.3190 22 H61 H1 E 21 18 14 1.090 110.337 53.86 0.0000 23 H62 H1 E 21 18 14 1.091 110.848 -66.38 0.0000 24 O6 Os M 21 18 14 1.437 109.027 173.44 -0.4680 LOOP O5 C1 DONE 6mA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330 5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000 6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070 7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760 8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000 9 C4 Cg 3 7 6 4 1.546 110.394 -50.35 0.3260 10 H4 H1 E 9 7 6 1.091 109.924 -69.18 0.0000 11 O4 Oh S 9 7 6 1.452 108.824 171.70 -0.7330 12 H4O Ho E 11 9 7 0.966 107.267 -173.46 0.4380 13 C3 Cg 3 9 7 6 1.549 110.605 52.31 0.2520 14 H3 H1 E 13 9 7 1.092 108.663 62.49 0.0000 15 O3 Oh S 13 9 7 1.461 110.813 -179.59 -0.6960 16 H3O Ho E 15 13 9 0.964 109.699 -161.58 0.4310 17 C2 Cg B 13 9 7 1.545 111.609 -57.15 0.2450 18 H2 H1 E 17 13 9 1.091 109.207 175.17 0.0000 19 O2 Oh S 17 13 9 1.459 109.731 -66.73 -0.7170 20 H2O Ho E 19 17 13 0.965 108.621 -45.43 0.4460 21 C6 Cg M 7 6 4 1.544 109.404 -174.23 0.2660 22 H61 H1 E 21 7 6 1.091 110.051 50.51 0.0000 23 H62 H1 E 21 7 6 1.090 110.579 169.68 0.0000 24 O6 Os M 21 7 6 1.444 110.952 -70.49 -0.4600 LOOP C2 C1 DONE 6mB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140 5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000 6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410 7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000 8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640 9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310 10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630 11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000 12 O3 Oh S 10 6 4 1.457 110.746 -174.70 -0.6920 13 H3O Ho E 12 10 6 0.962 109.624 154.41 0.4300 14 C4 Cg M 10 6 4 1.553 110.623 60.52 0.3490 15 H4 H1 E 14 10 6 1.091 109.997 63.90 0.0000 16 O4 Oh S 14 10 6 1.452 109.624 -176.73 -0.7460 17 H4O Ho E 16 14 10 0.963 108.380 -79.71 0.4430 18 C5 Cg M 14 10 6 1.550 110.419 -57.43 0.2060 19 H5 H1 E 18 14 10 1.092 108.705 -67.76 0.0000 20 O5 Os E 18 14 10 1.498 110.843 50.51 -0.3930 21 C6 Cg M 18 14 10 1.539 111.873 172.30 0.2730 22 H61 H1 E 21 18 14 1.090 110.558 59.60 0.0000 23 H62 H1 E 21 18 14 1.091 110.262 -60.18 0.0000 24 O6 Os M 21 18 14 1.439 109.850 179.68 -0.4550 LOOP O5 C1 DONE 6nA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780 5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000 6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110 7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040 8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000 9 C4 Cg 3 7 6 4 1.545 108.589 -54.12 0.1670 10 H4 H1 E 9 7 6 1.091 108.424 -67.01 0.0000 11 O4 Oh S 9 7 6 1.439 109.651 175.64 -0.7330 12 H4O Ho E 11 9 7 0.960 109.442 -61.75 0.4440 13 C3 Cg 3 9 7 6 1.543 113.659 53.11 0.3300 14 H3 H1 E 13 9 7 1.091 110.022 -173.93 0.0000 15 O3 Oh S 13 9 7 1.445 109.798 66.31 -0.7140 16 H3O Ho E 15 13 9 0.960 109.446 64.20 0.4410 17 C2 Cg B 13 9 7 1.541 108.602 -53.52 0.2280 18 H2 H1 E 17 13 9 1.091 106.837 -65.32 0.0000 19 O2 Oh S 17 13 9 1.439 110.703 179.06 -0.6680 20 H2O Ho E 19 17 13 0.960 109.386 -64.03 0.4150 21 C6 Cg M 7 6 4 1.535 107.673 -177.70 0.2800 22 H61 H1 E 21 7 6 1.091 110.668 56.63 0.0000 23 H62 H1 E 21 7 6 1.090 110.540 176.79 0.0000 24 O6 Os M 21 7 6 1.434 109.011 -63.74 -0.4610 LOOP C2 C1 DONE 6nB INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220 5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000 6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010 7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000 8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030 9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240 10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340 11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000 12 O3 Oh S 10 6 4 1.458 109.599 -65.98 -0.6150 13 H3O Ho E 12 10 6 0.967 107.516 -48.26 0.3890 14 C4 Cg M 10 6 4 1.546 109.920 54.68 0.2860 15 H4 H1 E 14 10 6 1.091 108.699 62.12 0.0000 16 O4 Oh S 14 10 6 1.447 109.608 179.74 -0.7070 17 H4O Ho E 16 14 10 0.966 108.053 38.89 0.4300 18 C5 Cg M 14 10 6 1.547 111.303 -57.50 0.1980 19 H5 H1 E 18 14 10 1.091 109.233 -61.92 0.0000 20 O5 Os E 18 14 10 1.500 108.536 56.16 -0.5070 21 C6 Cg M 18 14 10 1.541 112.741 177.70 0.3130 22 H61 H1 E 21 18 14 1.090 110.689 61.33 0.0000 23 H62 H1 E 21 18 14 1.090 110.338 -58.85 0.0000 24 O6 Os M 21 18 14 1.438 109.178 -178.76 -0.4650 LOOP O5 C1 DONE 6pD INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240 5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860 6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000 7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000 8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910 9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190 10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530 11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940 12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000 13 C4 Cg 3 11 10 4 1.626 105.532 -0.49 0.2820 14 H4 H1 E 13 11 10 1.091 112.773 -134.13 0.0000 15 O4 Oh S 13 11 10 1.437 105.885 105.93 -0.6830 16 H4O Ho E 15 13 11 0.960 109.464 -177.78 0.4210 17 C3 Cg B 13 11 10 1.629 106.867 -10.85 0.3340 18 H3 H1 E 17 13 11 1.090 106.567 -97.07 0.0000 19 O3 Oh S 17 13 11 1.441 113.670 145.25 -0.6610 20 H3O Ho E 19 17 13 0.960 109.502 57.68 0.4150 21 C6 Cg M 11 10 4 1.529 108.517 -121.64 0.2910 22 H61 H1 E 21 11 10 1.090 110.281 176.00 0.0000 23 H62 H1 E 21 11 10 1.091 110.695 55.73 0.0000 24 O6 Os M 21 11 10 1.433 108.604 -64.48 -0.4780 LOOP C3 C2 DONE 6pU INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880 5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650 6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000 7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000 8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870 9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180 10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340 11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000 12 O3 Oh S 10 4 3 1.441 112.255 44.83 -0.7140 13 H3O Ho E 12 10 4 0.960 109.493 177.90 0.4240 14 C4 Cg M 10 4 3 1.631 107.756 169.64 0.1920 15 H4 H1 E 14 10 4 1.091 111.099 133.10 0.0000 16 O4 Oh S 14 10 4 1.438 110.850 -105.23 -0.7110 17 H4O Ho E 16 14 10 0.960 109.445 -179.82 0.4380 18 C5 Cg M 14 10 4 1.623 107.338 10.25 0.3690 19 H5 H1 E 18 14 10 1.092 111.285 -129.81 0.0000 20 O5 Os E 18 14 10 1.576 105.494 -11.41 -0.4800 21 C6 Cg M 18 14 10 1.529 112.798 106.76 0.2150 22 H61 H1 E 21 18 14 1.090 110.301 60.35 0.0000 23 H62 H1 E 21 18 14 1.091 110.659 -59.91 0.0000 24 O6 Os M 21 18 14 1.433 108.649 179.93 -0.4510 LOOP O5 C2 DONE 6tA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560 5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000 6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800 7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570 8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000 9 C4 Cg 3 7 6 4 1.544 109.541 -57.17 0.4340 10 H4 H1 E 9 7 6 1.091 109.540 173.93 0.0000 11 O4 Oh S 9 7 6 1.443 109.067 -67.36 -0.7310 12 H4O Ho E 11 9 7 0.960 109.459 -59.56 0.4170 13 C3 Cg 3 9 7 6 1.543 109.739 53.52 0.1240 14 H3 H1 E 13 9 7 1.091 106.734 65.74 0.0000 15 O3 Oh S 13 9 7 1.439 110.707 -178.75 -0.6870 16 H3O Ho E 15 13 9 0.960 109.479 -176.63 0.4420 17 C2 Cg B 13 9 7 1.545 114.910 -52.34 0.2450 18 H2 H1 E 17 13 9 1.091 109.723 171.12 0.0000 19 O2 Oh S 17 13 9 1.440 110.347 -69.94 -0.6550 20 H2O Ho E 19 17 13 0.960 109.490 -179.95 0.4360 21 C6 Cg M 7 6 4 1.535 108.822 176.46 0.3040 22 H61 H1 E 21 7 6 1.091 110.896 55.84 0.0000 23 H62 H1 E 21 7 6 1.090 110.263 176.07 0.0000 24 O6 Os M 21 7 6 1.434 108.863 -64.48 -0.4620 LOOP C2 C1 DONE 6tB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060 5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000 6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400 7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000 8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370 9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970 10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740 11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000 12 O3 Oh S 10 6 4 1.439 110.677 177.92 -0.6780 13 H3O Ho E 12 10 6 0.960 109.373 -64.24 0.4250 14 C4 Cg M 10 6 4 1.547 114.890 51.64 0.3140 15 H4 H1 E 14 10 6 1.091 109.570 -171.49 0.0000 16 O4 Oh S 14 10 6 1.443 110.169 69.26 -0.6260 17 H4O Ho E 16 14 10 0.960 109.455 179.72 0.4130 18 C5 Cg M 14 10 6 1.547 110.218 -50.96 0.0310 19 H5 H1 E 18 14 10 1.092 107.394 -65.47 0.0000 20 O5 Os E 18 14 10 1.487 109.426 51.66 -0.3540 21 C6 Cg M 18 14 10 1.535 115.137 174.64 0.3490 22 H61 H1 E 21 18 14 1.090 110.278 53.24 0.0000 23 H62 H1 E 21 18 14 1.091 110.886 -67.01 0.0000 24 O6 Os M 21 18 14 1.434 108.837 172.73 -0.4540 LOOP O5 C1 DONE 6vA INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890 5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000 6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660 7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120 8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000 9 C4 Cg 3 7 6 4 1.548 110.914 -51.03 0.3260 10 H4 H1 E 9 7 6 1.091 109.088 172.26 0.0000 11 O4 Oh S 9 7 6 1.450 110.237 -68.94 -0.7010 12 H4O Ho E 11 9 7 0.968 106.613 169.99 0.4420 13 C3 Cg 3 9 7 6 1.547 111.081 51.89 0.1760 14 H3 H1 E 13 9 7 1.091 107.961 63.63 0.0000 15 O3 Oh S 13 9 7 1.462 109.029 179.93 -0.6780 16 H3O Ho E 15 13 9 0.964 110.475 -178.25 0.4250 17 C2 Cg B 13 9 7 1.551 111.657 -55.51 0.3990 18 H2 H1 E 17 13 9 1.092 107.862 -63.61 0.0000 19 N2 Ng B 17 13 9 1.483 110.775 178.49 -0.5950 20 H2N H E 19 17 13 1.007 117.335 -40.12 0.2380 21 C2N C B 19 17 13 1.336 122.570 153.82 0.6250 22 O2N O E 21 19 17 1.227 121.897 -4.65 -0.6050 23 CME Cg 3 21 19 17 1.541 116.317 175.68 0.0320 24 H1M Hc E 23 21 19 1.091 109.644 69.76 0.0000 25 H2M Hc E 23 21 19 1.091 110.181 -170.34 0.0000 26 H3M Hc E 23 21 19 1.091 110.069 -50.52 0.0000 27 C6 Cg M 7 6 4 1.543 110.655 -179.51 0.3620 28 H61 H1 E 27 7 6 1.090 109.608 -176.18 0.0000 29 H62 H1 E 27 7 6 1.090 110.167 -57.43 0.0000 30 O6 Os M 27 7 6 1.435 111.052 63.47 -0.4810 LOOP C2 C1 DONE 6vB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050 5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000 6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440 7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000 8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860 9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540 10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860 11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560 12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000 13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000 14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000 15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640 16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520 17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000 18 O3 Oh S 16 6 4 1.462 113.219 178.26 -0.6650 19 H3O Ho E 18 16 6 0.963 111.335 152.35 0.4150 20 C4 Cg M 16 6 4 1.544 111.369 55.44 0.2530 21 H4 H1 E 20 16 6 1.091 109.237 -177.04 0.0000 22 O4 Oh S 20 16 6 1.445 108.904 64.66 -0.6900 23 H4O Ho E 22 20 16 0.968 108.059 41.88 0.4400 24 C5 Cg M 20 16 6 1.544 111.265 -56.32 0.1360 25 H5 H1 E 24 20 16 1.092 107.572 -64.67 0.0000 26 O5 Os E 24 20 16 1.495 110.300 52.85 -0.4080 27 C6 Cg M 24 20 16 1.539 112.869 176.15 0.3530 28 H61 H1 E 27 24 20 1.091 110.331 53.32 0.0000 29 H62 H1 E 27 24 20 1.090 110.929 -67.00 0.0000 30 O6 Os M 27 24 20 1.436 108.896 172.76 -0.4810 LOOP O5 C1 DONE 6wA INT 0 CORRECT OMIT DU BEG -0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621 5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000 6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415 7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421 8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000 9 C4 Cg 3 7 6 4 1.547 111.317 -49.02 0.3213 10 H4 H1 E 9 7 6 1.091 109.249 -73.83 0.0000 11 O4 Oh S 9 7 6 1.458 108.618 168.10 -0.7305 12 H4O Ho E 11 9 7 0.964 111.017 -68.07 0.4424 13 C3 Cg 3 9 7 6 1.550 112.664 46.63 0.2520 14 H3 H1 E 13 9 7 1.091 108.491 68.12 0.0000 15 O3 Oh S 13 9 7 1.455 109.482 -174.62 -0.6987 16 H3O Ho E 15 13 9 0.965 109.543 -47.09 0.4159 17 C2 Cg B 13 9 7 1.549 112.400 -51.61 0.2750 18 H2 H1 E 17 13 9 1.092 108.473 171.95 0.0000 19 N2 Ng B 17 13 9 1.482 111.789 -70.12 -0.4751 20 H2N H E 19 17 13 1.007 117.562 12.93 0.2142 21 C2N C B 19 17 13 1.336 123.787 -162.76 0.5909 22 O2N O E 21 19 17 1.229 122.265 -3.32 -0.5757 23 CME Cg 3 21 19 17 1.539 115.681 177.62 -0.0340 24 H1M Hc E 23 21 19 1.091 109.868 -60.00 0.0000 25 H2M Hc E 23 21 19 1.091 110.252 -179.93 0.0000 26 H3M Hc E 23 21 19 1.091 109.810 60.19 0.0000 27 C6 Cg M 7 6 4 1.545 109.924 -175.74 0.2995 28 H61 H1 E 27 7 6 1.090 109.924 -166.49 0.0000 29 H62 H1 E 27 7 6 1.090 109.575 -48.28 0.0000 30 O6 Os M 27 7 6 1.443 112.033 72.71 -0.4599 LOOP C2 C1 DONE 6wB INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000 4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870 5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000 6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940 7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000 8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580 9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650 10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850 11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560 12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000 13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000 14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000 15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000 16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170 17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000 18 O3 Oh S 16 6 4 1.458 111.031 177.66 -0.6580 19 H3O Ho E 18 16 6 0.972 110.221 24.88 0.4130 20 C4 Cg M 16 6 4 1.551 112.012 54.98 0.2770 21 H4 H1 E 20 16 6 1.092 109.220 68.41 0.0000 22 O4 Oh S 20 16 6 1.447 108.869 -173.07 -0.7430 23 H4O Ho E 22 20 16 0.968 107.478 -48