@MOLECULE (3b)-3-chlorocholest-5-ene 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 CL -7.7779 -0.5848 0.7314 Cl 1 UNL1111111111 -0.2308 2 C 1.0772 0.0866 -0.7156 C.3 1 UNL1111111111 0.0723 3 C 0.2741 1.1297 0.1181 C.3 1 UNL1111111111 -0.1441 4 C -1.2119 1.1263 -0.2377 C.3 1 UNL1111111111 -0.1161 5 C -1.7791 -0.2771 0.0859 C.3 1 UNL1111111111 -0.1321 6 C 2.5289 0.4203 -0.2541 C.3 1 UNL1111111111 -0.1413 7 C 0.5534 -1.2931 -0.2956 C.3 1 UNL1111111111 -0.2968 8 C -3.2888 -0.3629 -0.2992 C.3 1 UNL1111111111 0.0647 9 C 1.0570 2.4345 -0.0763 C.3 1 UNL1111111111 -0.2821 10 C -0.9551 -1.3966 -0.5807 C.3 1 UNL1111111111 -0.2786 11 C 2.5305 1.9758 -0.1691 C.3 1 UNL1111111111 -0.2775 12 C -1.9483 2.1841 0.6020 C.3 1 UNL1111111111 -0.2864 13 C 3.6733 -0.0989 -1.1400 C.3 1 UNL1111111111 -0.0930 14 C 0.9299 0.2810 -2.2283 C.3 1 UNL1111111111 -0.4567 15 C -4.0271 0.8578 0.2017 C.2 1 UNL1111111111 -0.0280 16 C -3.8626 -1.6388 0.3706 C.3 1 UNL1111111111 -0.2853 17 C -3.4241 1.9884 0.5849 C.2 1 UNL1111111111 -0.1865 18 C -3.4823 -0.4303 -1.8237 C.3 1 UNL1111111111 -0.4536 19 C -5.5291 0.7827 0.1995 C.3 1 UNL1111111111 -0.3188 20 C -5.3888 -1.7300 0.2705 C.3 1 UNL1111111111 -0.3036 21 C 5.0450 0.4080 -0.6400 C.3 1 UNL1111111111 -0.2851 22 C -5.9857 -0.4855 0.9032 C.3 1 UNL1111111111 0.0303 23 C 3.6818 -1.6315 -1.2123 C.3 1 UNL1111111111 -0.4513 24 C 5.3617 0.0040 0.8054 C.3 1 UNL1111111111 -0.2658 25 C 6.8069 0.3561 1.1844 C.3 1 UNL1111111111 -0.2905 26 C 7.8278 -0.6422 0.6044 C.3 1 UNL1111111111 -0.0582 27 C 7.8109 -1.9612 1.3868 C.3 1 UNL1111111111 -0.4543 28 C 9.2348 -0.0308 0.6465 C.3 1 UNL1111111111 -0.4587 29 H 0.3614 0.8432 1.1985 H 1 UNL1111111111 0.1369 30 H -1.3568 1.3534 -1.3168 H 1 UNL1111111111 0.1432 31 H -1.7070 -0.4137 1.1935 H 1 UNL1111111111 0.1386 32 H 2.6652 0.0022 0.7696 H 1 UNL1111111111 0.1346 33 H 1.0854 -2.0962 -0.8353 H 1 UNL1111111111 0.1392 34 H 0.7515 -1.4687 0.7770 H 1 UNL1111111111 0.1367 35 H 0.7431 2.9582 -0.9927 H 1 UNL1111111111 0.1373 36 H 0.8993 3.1367 0.7544 H 1 UNL1111111111 0.1317 37 H -1.3191 -2.3814 -0.2327 H 1 UNL1111111111 0.1320 38 H -1.1127 -1.3849 -1.6756 H 1 UNL1111111111 0.1435 39 H 3.0138 2.4177 -1.0539 H 1 UNL1111111111 0.1348 40 H 3.1090 2.3120 0.7037 H 1 UNL1111111111 0.1327 41 H -1.6874 3.1958 0.2298 H 1 UNL1111111111 0.1469 42 H -1.5929 2.1545 1.6545 H 1 UNL1111111111 0.1511 43 H 3.5332 0.2987 -2.1760 H 1 UNL1111111111 0.1332 44 H 1.3399 1.2452 -2.5482 H 1 UNL1111111111 0.1471 45 H 1.4526 -0.5064 -2.7813 H 1 UNL1111111111 0.1428 46 H -0.1190 0.2567 -2.5426 H 1 UNL1111111111 0.1463 47 H -3.4098 -2.5355 -0.0925 H 1 UNL1111111111 0.1450 48 H -3.5608 -1.6608 1.4359 H 1 UNL1111111111 0.1429 49 H -3.9950 2.8509 0.9264 H 1 UNL1111111111 0.1453 50 H -2.9818 0.4087 -2.3202 H 1 UNL1111111111 0.1503 51 H -4.5424 -0.3845 -2.0969 H 1 UNL1111111111 0.1482 52 H -3.0825 -1.3584 -2.2438 H 1 UNL1111111111 0.1460 53 H -5.8951 0.8104 -0.8515 H 1 UNL1111111111 0.1691 54 H -5.9792 1.6771 0.6794 H 1 UNL1111111111 0.1594 55 H -5.6997 -1.8305 -0.7888 H 1 UNL1111111111 0.1597 56 H -5.7501 -2.6486 0.7734 H 1 UNL1111111111 0.1527 57 H 5.0919 1.5089 -0.7337 H 1 UNL1111111111 0.1338 58 H 5.8330 0.0224 -1.3158 H 1 UNL1111111111 0.1368 59 H -5.8095 -0.4418 1.9979 H 1 UNL1111111111 0.1507 60 H 2.8486 -2.0062 -1.8164 H 1 UNL1111111111 0.1418 61 H 4.6066 -2.0014 -1.6686 H 1 UNL1111111111 0.1435 62 H 3.6023 -2.0836 -0.2183 H 1 UNL1111111111 0.1436 63 H 4.6655 0.5143 1.4976 H 1 UNL1111111111 0.1336 64 H 5.1854 -1.0784 0.9472 H 1 UNL1111111111 0.1408 65 H 7.0430 1.3789 0.8357 H 1 UNL1111111111 0.1372 66 H 6.9064 0.3881 2.2861 H 1 UNL1111111111 0.1356 67 H 7.5635 -0.8538 -0.4596 H 1 UNL1111111111 0.1302 68 H 6.8153 -2.4174 1.3780 H 1 UNL1111111111 0.1422 69 H 8.5091 -2.6861 0.9557 H 1 UNL1111111111 0.1405 70 H 8.0954 -1.8104 2.4334 H 1 UNL1111111111 0.1434 71 H 9.5281 0.2279 1.6692 H 1 UNL1111111111 0.1438 72 H 9.9821 -0.7302 0.2572 H 1 UNL1111111111 0.1425 73 H 9.2923 0.8811 0.0435 H 1 UNL1111111111 0.1408 @BOND 1 1 22 1 2 2 3 1 3 2 6 1 4 2 7 1 5 2 14 1 6 3 4 1 7 3 9 1 8 3 29 1 9 4 5 1 10 4 12 1 11 4 30 1 12 5 8 1 13 5 10 1 14 5 31 1 15 6 11 1 16 6 13 1 17 6 32 1 18 7 10 1 19 7 33 1 20 7 34 1 21 8 15 1 22 8 16 1 23 8 18 1 24 9 11 1 25 9 35 1 26 9 36 1 27 10 37 1 28 10 38 1 29 11 39 1 30 11 40 1 31 12 17 1 32 12 41 1 33 12 42 1 34 13 21 1 35 13 23 1 36 13 43 1 37 14 44 1 38 14 45 1 39 14 46 1 40 15 17 2 41 15 19 1 42 16 20 1 43 16 47 1 44 16 48 1 45 17 49 1 46 18 50 1 47 18 51 1 48 18 52 1 49 19 22 1 50 19 53 1 51 19 54 1 52 20 22 1 53 20 55 1 54 20 56 1 55 21 24 1 56 21 57 1 57 21 58 1 58 22 59 1 59 23 60 1 60 23 61 1 61 23 62 1 62 24 25 1 63 24 63 1 64 24 64 1 65 25 26 1 66 25 65 1 67 25 66 1 68 26 27 1 69 26 28 1 70 26 67 1 71 27 68 1 72 27 69 1 73 27 70 1 74 28 71 1 75 28 72 1 76 28 73 1