@MOLECULE (3beta,20s)-20-[(3-methylbutyl)sulfanyl]pregn-5-en-3-ol 72 75 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.0415 -1.3827 -0.0283 S.3 1 UNL1111111111 -0.1151 2 O 7.5297 1.2111 -0.3103 O.3 1 UNL1111111111 -0.5753 3 C -0.7969 -1.0350 -0.2587 C.3 1 UNL1111111111 0.0764 4 C -0.1027 -0.4269 0.9967 C.3 1 UNL1111111111 -0.1416 5 C 1.4127 -0.6175 0.9584 C.3 1 UNL1111111111 -0.1150 6 C 1.9665 0.1051 -0.2926 C.3 1 UNL1111111111 -0.1333 7 C -2.2974 -0.8357 0.1298 C.3 1 UNL1111111111 -0.1545 8 C -0.3097 -0.2074 -1.4551 C.3 1 UNL1111111111 -0.2975 9 C 3.5044 -0.1317 -0.4166 C.3 1 UNL1111111111 0.0634 10 C -0.8695 -1.0428 2.1730 C.3 1 UNL1111111111 -0.2827 11 C 1.2211 -0.3064 -1.5774 C.3 1 UNL1111111111 -0.2749 12 C -2.3186 -1.1739 1.6500 C.3 1 UNL1111111111 -0.2720 13 C 2.0486 -0.0057 2.2186 C.3 1 UNL1111111111 -0.2850 14 C -0.4875 -2.5214 -0.4604 C.3 1 UNL1111111111 -0.4580 15 C 4.1788 0.1105 0.9157 C.2 1 UNL1111111111 -0.0129 16 C -3.3129 -1.6656 -0.6551 C.3 1 UNL1111111111 -0.1131 17 C 4.0413 0.8692 -1.4720 C.3 1 UNL1111111111 -0.2878 18 C 3.5231 0.1512 2.0816 C.2 1 UNL1111111111 -0.2036 19 C 3.8247 -1.5752 -0.8426 C.3 1 UNL1111111111 -0.4533 20 C 5.6724 0.2456 0.8997 C.3 1 UNL1111111111 -0.3525 21 C 5.5670 0.9080 -1.5363 C.3 1 UNL1111111111 -0.2987 22 C 6.1195 1.2680 -0.1552 C.3 1 UNL1111111111 0.1762 23 C -3.2613 -1.4023 -2.1536 C.3 1 UNL1111111111 -0.4572 24 C -5.3739 0.3920 -0.3609 C.3 1 UNL1111111111 -0.2990 25 C -5.0640 1.2837 0.8370 C.3 1 UNL1111111111 -0.2876 26 C -4.9035 2.7702 0.4516 C.3 1 UNL1111111111 -0.0610 27 C -3.6238 2.9985 -0.3623 C.3 1 UNL1111111111 -0.4528 28 C -6.1247 3.2883 -0.3143 C.3 1 UNL1111111111 -0.4552 29 H -0.3037 0.6756 1.0007 H 1 UNL1111111111 0.1366 30 H 1.6670 -1.6992 0.9118 H 1 UNL1111111111 0.1427 31 H 1.8060 1.2014 -0.1405 H 1 UNL1111111111 0.1388 32 H -2.5329 0.2470 -0.0070 H 1 UNL1111111111 0.1410 33 H -0.7746 -0.5545 -2.3939 H 1 UNL1111111111 0.1375 34 H -0.6138 0.8487 -1.3406 H 1 UNL1111111111 0.1365 35 H -0.4557 -2.0246 2.4524 H 1 UNL1111111111 0.1384 36 H -0.8157 -0.4149 3.0738 H 1 UNL1111111111 0.1329 37 H 1.5553 0.3313 -2.4175 H 1 UNL1111111111 0.1327 38 H 1.4906 -1.3421 -1.8580 H 1 UNL1111111111 0.1429 39 H -2.9956 -0.4973 2.1936 H 1 UNL1111111111 0.1377 40 H -2.6982 -2.1926 1.8279 H 1 UNL1111111111 0.1428 41 H 1.8077 -0.6392 3.0963 H 1 UNL1111111111 0.1452 42 H 1.5953 0.9858 2.4342 H 1 UNL1111111111 0.1494 43 H -0.8651 -3.1249 0.3725 H 1 UNL1111111111 0.1488 44 H -0.9372 -2.9029 -1.3824 H 1 UNL1111111111 0.1415 45 H 0.5904 -2.7071 -0.5272 H 1 UNL1111111111 0.1495 46 H -3.1489 -2.7542 -0.4593 H 1 UNL1111111111 0.1606 47 H 3.6376 0.6074 -2.4678 H 1 UNL1111111111 0.1418 48 H 3.6565 1.8824 -1.2442 H 1 UNL1111111111 0.1403 49 H 4.0452 0.3144 3.0228 H 1 UNL1111111111 0.1429 50 H 3.3657 -2.2993 -0.1604 H 1 UNL1111111111 0.1480 51 H 4.9050 -1.7611 -0.8369 H 1 UNL1111111111 0.1503 52 H 3.4688 -1.7889 -1.8551 H 1 UNL1111111111 0.1450 53 H 6.0654 0.5311 1.8936 H 1 UNL1111111111 0.1425 54 H 6.1355 -0.7399 0.6762 H 1 UNL1111111111 0.1674 55 H 5.9820 -0.0629 -1.8677 H 1 UNL1111111111 0.1572 56 H 5.9126 1.6445 -2.2857 H 1 UNL1111111111 0.1496 57 H 5.8478 2.3038 0.1422 H 1 UNL1111111111 0.1136 58 H -4.0962 -1.8744 -2.6896 H 1 UNL1111111111 0.1593 59 H -2.3423 -1.8159 -2.5936 H 1 UNL1111111111 0.1536 60 H -3.2767 -0.3323 -2.3931 H 1 UNL1111111111 0.1458 61 H -4.8092 0.7137 -1.2541 H 1 UNL1111111111 0.1565 62 H -6.4453 0.4617 -0.6296 H 1 UNL1111111111 0.1592 63 H 7.9826 1.3807 0.5339 H 1 UNL1111111111 0.3128 64 H -4.1392 0.9569 1.3543 H 1 UNL1111111111 0.1502 65 H -5.8672 1.1901 1.5953 H 1 UNL1111111111 0.1432 66 H -4.8155 3.3517 1.4049 H 1 UNL1111111111 0.1286 67 H -3.6568 2.4830 -1.3277 H 1 UNL1111111111 0.1415 68 H -2.7394 2.6401 0.1759 H 1 UNL1111111111 0.1434 69 H -3.4752 4.0642 -0.5689 H 1 UNL1111111111 0.1449 70 H -7.0536 3.0765 0.2263 H 1 UNL1111111111 0.1439 71 H -6.0678 4.3726 -0.4605 H 1 UNL1111111111 0.1426 72 H -6.2076 2.8311 -1.3060 H 1 UNL1111111111 0.1442 @BOND 1 1 16 1 2 1 24 1 3 2 22 1 4 2 63 1 5 3 4 1 6 3 7 1 7 3 8 1 8 3 14 1 9 4 5 1 10 4 10 1 11 4 29 1 12 5 6 1 13 5 13 1 14 5 30 1 15 6 9 1 16 6 11 1 17 6 31 1 18 7 12 1 19 7 16 1 20 7 32 1 21 8 11 1 22 8 33 1 23 8 34 1 24 9 15 1 25 9 17 1 26 9 19 1 27 10 12 1 28 10 35 1 29 10 36 1 30 11 37 1 31 11 38 1 32 12 39 1 33 12 40 1 34 13 18 1 35 13 41 1 36 13 42 1 37 14 43 1 38 14 44 1 39 14 45 1 40 15 18 2 41 15 20 1 42 16 23 1 43 16 46 1 44 17 21 1 45 17 47 1 46 17 48 1 47 18 49 1 48 19 50 1 49 19 51 1 50 19 52 1 51 20 22 1 52 20 53 1 53 20 54 1 54 21 22 1 55 21 55 1 56 21 56 1 57 22 57 1 58 23 58 1 59 23 59 1 60 23 60 1 61 24 25 1 62 24 61 1 63 24 62 1 64 25 26 1 65 25 64 1 66 25 65 1 67 26 27 1 68 26 28 1 69 26 66 1 70 27 67 1 71 27 68 1 72 27 69 1 73 28 70 1 74 28 71 1 75 28 72 1