@MOLECULE (2alpha,3e,5alpha,17beta,2'alpha,3'e,5'alpha,17'beta)-3,3'-[(1e,2e)-1,2-hydrazinediylidene]bis(2,17-dimethylandrostan-17-ol) 114 121 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.5918 0.0984 -0.4543 C.3 1 UNL1 -0.1312 2 C -6.4098 0.0480 0.8647 C.3 1 UNL1 -0.1148 3 C -4.5197 -1.0325 -0.4790 C.3 1 UNL1 0.0632 4 C -7.4237 1.1925 0.8238 C.3 1 UNL1 -0.1505 5 C -3.6060 -0.8339 0.7602 C.3 1 UNL1 -0.1079 6 C -8.4169 1.0133 -0.3591 C.3 1 UNL1 0.0478 7 C -2.4557 -1.8546 -1.7692 C.3 1 UNL1 -0.1007 8 C -9.4373 2.1579 -0.0595 C.3 1 UNL1 0.3048 9 C 2.4554 -1.8524 1.7703 C.3 1 UNL1 -0.1006 10 C 3.6056 -0.8332 -0.7597 C.3 1 UNL1 -0.1079 11 C 4.5194 -1.0314 0.4795 C.3 1 UNL1 0.0632 12 C 5.5917 0.0993 0.4542 C.3 1 UNL1 -0.1312 13 C 6.4096 0.0478 -0.8648 C.3 1 UNL1 -0.1148 14 C 7.4241 1.1918 -0.8245 C.3 1 UNL1 -0.1504 15 C 8.4171 1.0129 0.3586 C.3 1 UNL1 0.0477 16 C 9.4382 2.1568 0.0583 C.3 1 UNL1 0.3051 17 C -5.1770 -2.4177 -0.5007 C.3 1 UNL1 -0.4581 18 C -9.1812 -0.3171 -0.3283 C.3 1 UNL1 -0.4422 19 C -1.6070 -1.5922 -3.0173 C.3 1 UNL1 -0.4386 20 C -9.0718 3.5210 -0.6463 C.3 1 UNL1 -0.5125 21 C 1.6063 -1.5889 3.0180 C.3 1 UNL1 -0.4386 22 C 5.1763 -2.4169 0.5017 C.3 1 UNL1 -0.4581 23 C 9.1808 -0.3178 0.3286 C.3 1 UNL1 -0.4422 24 C 9.0733 3.5205 0.6443 C.3 1 UNL1 -0.5126 25 H -11.3425 2.4512 -0.5355 H 1 UNL1 0.3108 26 H 11.3436 2.4497 0.5348 H 1 UNL1 0.3110 27 C -6.5161 0.0430 -1.6872 C.3 1 UNL1 -0.2782 28 C -5.4785 0.1919 2.0781 C.3 1 UNL1 -0.2834 29 C -3.6260 -0.8561 -1.7285 C.3 1 UNL1 -0.3082 30 C -7.6138 1.1218 -1.6580 C.3 1 UNL1 -0.2913 31 C -8.3374 1.3947 2.0430 C.3 1 UNL1 -0.2729 32 C -4.4080 -0.9040 2.0673 C.3 1 UNL1 -0.2768 33 C -2.4561 -1.8507 0.7859 C.3 1 UNL1 -0.3456 34 C -9.5374 2.1984 1.4952 C.3 1 UNL1 -0.3416 35 C 2.4558 -1.8498 -0.7849 C.3 1 UNL1 -0.3457 36 C 3.6256 -0.8540 1.7290 C.3 1 UNL1 -0.3082 37 C 4.4075 -0.9039 -2.0668 C.3 1 UNL1 -0.2768 38 C 5.4784 0.1915 -2.0782 C.3 1 UNL1 -0.2834 39 C 6.5158 0.0444 1.6873 C.3 1 UNL1 -0.2782 40 C 7.6140 1.1227 1.6573 C.3 1 UNL1 -0.2913 41 C 8.3379 1.3930 -2.0437 C.3 1 UNL1 -0.2729 42 C 9.5384 2.1964 -1.4963 C.3 1 UNL1 -0.3416 43 O -10.6744 1.7464 -0.6062 O.3 1 UNL1 -0.5715 44 O 10.6751 1.7457 0.6053 O.3 1 UNL1 -0.5718 45 C -1.6541 -1.7835 -0.4841 C.2 1 UNL1 0.2242 46 C 1.6537 -1.7824 0.4851 C.2 1 UNL1 0.2243 47 N -0.3626 -1.7291 -0.5883 N.2 1 UNL1 -0.3299 48 N 0.3621 -1.7285 0.5893 N.2 1 UNL1 -0.3299 49 H -5.0517 1.0764 -0.4796 H 1 UNL1 0.1344 50 H -6.9447 -0.9266 0.9361 H 1 UNL1 0.1428 51 H -6.8552 2.1438 0.6655 H 1 UNL1 0.1364 52 H -3.1530 0.1882 0.6863 H 1 UNL1 0.1416 53 H 3.1527 0.1890 -0.6860 H 1 UNL1 0.1416 54 H 5.0519 1.0775 0.4789 H 1 UNL1 0.1344 55 H 6.9429 -0.9270 -0.9356 H 1 UNL1 0.1428 56 H 6.8560 2.1436 -0.6667 H 1 UNL1 0.1364 57 H -5.9173 0.1698 -2.6082 H 1 UNL1 0.1334 58 H -6.9845 -0.9556 -1.7649 H 1 UNL1 0.1433 59 H -5.0013 1.1892 2.0783 H 1 UNL1 0.1379 60 H -6.0671 0.1374 3.0119 H 1 UNL1 0.1332 61 H -4.2309 -0.9782 -2.6462 H 1 UNL1 0.1445 62 H -3.2300 0.1765 -1.7614 H 1 UNL1 0.1461 63 H -5.7064 -2.5941 -1.4430 H 1 UNL1 0.1435 64 H -4.4398 -3.2195 -0.3882 H 1 UNL1 0.1446 65 H -5.9032 -2.5325 0.3117 H 1 UNL1 0.1488 66 H -8.2816 1.0070 -2.5312 H 1 UNL1 0.1440 67 H -7.1530 2.1210 -1.7542 H 1 UNL1 0.1356 68 H -8.6633 0.4280 2.4597 H 1 UNL1 0.1409 69 H -7.8249 1.9292 2.8556 H 1 UNL1 0.1329 70 H -4.8736 -1.8990 2.1844 H 1 UNL1 0.1392 71 H -3.7322 -0.7812 2.9340 H 1 UNL1 0.1368 72 H -1.8047 -1.6548 1.6676 H 1 UNL1 0.1794 73 H -2.8353 -2.8805 0.9341 H 1 UNL1 0.1598 74 H -2.8668 -2.8967 -1.8347 H 1 UNL1 0.1510 75 H -9.7913 -0.4104 0.5769 H 1 UNL1 0.1496 76 H -9.8724 -0.3800 -1.1800 H 1 UNL1 0.1597 77 H -8.5130 -1.1808 -0.3735 H 1 UNL1 0.1396 78 H -9.5319 3.2293 1.8733 H 1 UNL1 0.1375 79 H -10.4911 1.7493 1.8169 H 1 UNL1 0.1519 80 H -1.1387 -0.6008 -2.9794 H 1 UNL1 0.1552 81 H -0.7873 -2.3187 -3.0960 H 1 UNL1 0.1567 82 H -2.2059 -1.6553 -3.9299 H 1 UNL1 0.1376 83 H -9.0865 3.4871 -1.7432 H 1 UNL1 0.1616 84 H -9.7769 4.2979 -0.3338 H 1 UNL1 0.1468 85 H -8.0716 3.8374 -0.3313 H 1 UNL1 0.1588 86 H 1.8045 -1.6545 -1.6667 H 1 UNL1 0.1794 87 H 2.8349 -2.8799 -0.9332 H 1 UNL1 0.1598 88 H 2.8663 -2.8946 1.8367 H 1 UNL1 0.1510 89 H 3.2297 0.1787 1.7612 H 1 UNL1 0.1461 90 H 4.2306 -0.9758 2.6466 H 1 UNL1 0.1445 91 H 0.7866 -2.3154 3.0973 H 1 UNL1 0.1567 92 H 2.2050 -1.6512 3.9307 H 1 UNL1 0.1375 93 H 1.1381 -0.5975 2.9793 H 1 UNL1 0.1552 94 H 4.8728 -1.8991 -2.1838 H 1 UNL1 0.1392 95 H 3.7315 -0.7811 -2.9335 H 1 UNL1 0.1368 96 H 5.9023 -2.5328 -0.3108 H 1 UNL1 0.1488 97 H 5.7060 -2.5926 1.4441 H 1 UNL1 0.1435 98 H 4.4389 -3.2186 0.3903 H 1 UNL1 0.1446 99 H 5.0015 1.1889 -2.0787 H 1 UNL1 0.1379 100 H 6.0669 0.1365 -3.0120 H 1 UNL1 0.1332 101 H 5.9167 0.1722 2.6081 H 1 UNL1 0.1334 102 H 6.9837 -0.9543 1.7658 H 1 UNL1 0.1433 103 H 8.2818 1.0083 2.5308 H 1 UNL1 0.1440 104 H 7.1537 2.1222 1.7529 H 1 UNL1 0.1356 105 H 8.6625 0.4260 -2.4599 H 1 UNL1 0.1408 106 H 7.8257 1.9272 -2.8567 H 1 UNL1 0.1329 107 H 9.7909 -0.4112 -0.5765 H 1 UNL1 0.1496 108 H 9.8721 -0.3804 1.1805 H 1 UNL1 0.1597 109 H 8.5122 -1.1812 0.3744 H 1 UNL1 0.1397 110 H 9.5335 3.2271 -1.8750 H 1 UNL1 0.1375 111 H 10.4919 1.7465 -1.8177 H 1 UNL1 0.1519 112 H 9.0878 3.4872 1.7412 H 1 UNL1 0.1616 113 H 9.7789 4.2968 0.3315 H 1 UNL1 0.1468 114 H 8.0733 3.8372 0.3290 H 1 UNL1 0.1588 @BOND 1 82 19 1 2 81 19 1 3 19 80 1 4 19 7 1 5 100 38 1 6 95 37 1 7 106 41 1 8 61 29 1 9 57 27 1 10 66 30 1 11 105 41 1 12 94 37 1 13 99 38 1 14 38 37 1 15 38 13 1 16 37 10 1 17 41 42 1 18 41 14 1 19 110 42 1 20 74 7 1 21 111 42 1 22 7 29 1 23 7 45 1 24 58 27 1 25 62 29 1 26 67 30 1 27 83 20 1 28 29 3 1 29 27 30 1 30 27 1 1 31 86 35 1 32 30 6 1 33 42 16 1 34 63 17 1 35 76 18 1 36 55 13 1 37 87 35 1 38 13 14 1 39 13 12 1 40 14 56 1 41 14 15 1 42 35 10 1 43 35 46 1 44 10 53 1 45 10 11 1 46 20 84 1 47 20 85 1 48 20 8 1 49 43 25 1 50 43 8 1 51 47 45 2 52 47 48 1 53 107 23 1 54 17 3 1 55 17 64 1 56 17 65 1 57 45 33 1 58 49 1 1 59 3 1 1 60 3 5 1 61 1 2 1 62 77 18 1 63 6 18 1 64 6 8 1 65 6 4 1 66 18 75 1 67 96 22 1 68 8 34 1 69 16 15 1 70 16 44 1 71 16 24 1 72 23 15 1 73 23 109 1 74 23 108 1 75 114 24 1 76 113 24 1 77 15 40 1 78 98 22 1 79 12 54 1 80 12 11 1 81 12 39 1 82 11 22 1 83 11 36 1 84 46 48 2 85 46 9 1 86 22 97 1 87 26 44 1 88 24 112 1 89 51 4 1 90 52 5 1 91 5 33 1 92 5 32 1 93 33 73 1 94 33 72 1 95 4 2 1 96 4 31 1 97 2 50 1 98 2 28 1 99 34 79 1 100 34 78 1 101 34 31 1 102 40 39 1 103 40 104 1 104 40 103 1 105 39 102 1 106 39 101 1 107 36 89 1 108 36 9 1 109 36 90 1 110 9 88 1 111 9 21 1 112 31 68 1 113 31 69 1 114 32 28 1 115 32 70 1 116 32 71 1 117 28 59 1 118 28 60 1 119 93 21 1 120 21 91 1 121 21 92 1