@MOLECULE (1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(2r,6s)-6-hydroxy-6-(1,3-thiazol-2-yl)-2-hexanyl]-7a-methyloctahydro-4h-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol 74 77 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.0720 2.8294 0.1037 C.3 1 UNL1111111111 0.1544 2 N -7.3751 2.1055 -0.6888 N.ar 1 UNL1111111111 -0.3809 3 O 5.0707 2.7748 1.0978 O.3 1 UNL1111111111 -0.5471 4 S -9.2761 0.8526 0.5383 S.2 1 UNL1111111111 0.2186 5 C 7.4613 2.7652 0.7521 C.3 1 UNL1111111111 -0.3633 6 O 9.1441 1.4280 1.6450 O.3 1 UNL1111111111 -0.5669 7 C 7.7737 1.3628 1.2857 C.3 1 UNL1111111111 0.1794 8 O -6.9307 -0.6900 1.5616 O.3 1 UNL1111111111 -0.5466 9 C 7.5808 0.2768 0.2086 C.3 1 UNL1111111111 -0.3496 10 C 6.1927 0.3756 -0.3427 C.2 1 UNL1111111111 -0.0349 11 C 5.3308 -0.6552 -0.3006 C.2 1 UNL1111111111 -0.1506 12 C 3.9547 -0.5614 -0.7456 C.2 1 UNL1111111111 -0.2541 13 C 3.1124 -1.5953 -0.8903 C.2 1 UNL1111111111 0.0534 14 C 3.4649 -3.0412 -0.6865 C.3 1 UNL1111111111 -0.2921 15 C 5.8805 1.7020 -0.8846 C.2 1 UNL1111111111 -0.0438 16 C 2.5085 -3.7260 0.3084 C.3 1 UNL1111111111 -0.2516 17 C 1.0242 -3.4617 -0.0000 C.3 1 UNL1111111111 -0.3036 18 C 0.7619 -1.9537 -0.1319 C.3 1 UNL1111111111 0.0873 19 C 1.6823 -1.4384 -1.2897 C.3 1 UNL1111111111 -0.1583 20 C 1.1188 -0.0497 -1.6095 C.3 1 UNL1111111111 -0.2756 21 C -0.4025 -0.2047 -1.3925 C.3 1 UNL1111111111 -0.2780 22 C -0.6441 -1.5694 -0.6792 C.3 1 UNL1111111111 -0.1518 23 C 1.0600 -1.2342 1.1875 C.3 1 UNL1111111111 -0.4578 24 C 5.4830 1.9114 -2.1404 C.2 1 UNL1111111111 -0.3050 25 C -1.7789 -1.4661 0.3588 C.3 1 UNL1111111111 -0.0901 26 C -1.9940 -2.7969 1.0896 C.3 1 UNL1111111111 -0.4560 27 C -3.0911 -1.0546 -0.3451 C.3 1 UNL1111111111 -0.2878 28 C -4.1279 -0.5337 0.6579 C.3 1 UNL1111111111 -0.2592 29 C -5.3169 0.0830 -0.0835 C.3 1 UNL1111111111 -0.3269 30 C -6.4324 0.4505 0.9008 C.3 1 UNL1111111111 0.1576 31 C -7.5566 1.1615 0.2062 C.ar 1 UNL1111111111 0.0075 32 C -8.5803 2.6259 -1.1611 C.ar 1 UNL1111111111 -0.0010 33 C -9.7080 2.0710 -0.6212 C.ar 1 UNL1111111111 -0.3505 34 H 5.8895 3.8330 -0.3485 H 1 UNL1111111111 0.1465 35 H 4.9690 1.8665 1.4483 H 1 UNL1111111111 0.3185 36 H 8.2412 3.0676 0.0261 H 1 UNL1111111111 0.1688 37 H 7.5243 3.4994 1.5802 H 1 UNL1111111111 0.1706 38 H 9.4442 0.5891 2.0384 H 1 UNL1111111111 0.3137 39 H 7.1835 1.1325 2.1994 H 1 UNL1111111111 0.1143 40 H -7.0020 -1.4564 0.9551 H 1 UNL1111111111 0.3222 41 H 8.3258 0.4256 -0.6026 H 1 UNL1111111111 0.1721 42 H 7.7960 -0.7232 0.6253 H 1 UNL1111111111 0.1465 43 H 5.6423 -1.6176 0.1123 H 1 UNL1111111111 0.1483 44 H 3.6052 0.4561 -0.9535 H 1 UNL1111111111 0.1682 45 H 3.4244 -3.5634 -1.6656 H 1 UNL1111111111 0.1502 46 H 4.5073 -3.1652 -0.3349 H 1 UNL1111111111 0.1439 47 H 2.6975 -4.8152 0.3084 H 1 UNL1111111111 0.1312 48 H 2.7387 -3.3780 1.3340 H 1 UNL1111111111 0.1410 49 H 0.7323 -3.9823 -0.9299 H 1 UNL1111111111 0.1371 50 H 0.3985 -3.8999 0.7976 H 1 UNL1111111111 0.1412 51 H 1.5102 -2.0837 -2.1921 H 1 UNL1111111111 0.1477 52 H 1.5335 0.7224 -0.9388 H 1 UNL1111111111 0.1460 53 H 1.3616 0.2664 -2.6343 H 1 UNL1111111111 0.1361 54 H -0.7868 0.6309 -0.7855 H 1 UNL1111111111 0.1412 55 H -0.9415 -0.1727 -2.3510 H 1 UNL1111111111 0.1319 56 H -0.9395 -2.3274 -1.4393 H 1 UNL1111111111 0.1327 57 H 2.1290 -1.2676 1.4310 H 1 UNL1111111111 0.1536 58 H 0.7813 -0.1753 1.1373 H 1 UNL1111111111 0.1515 59 H 0.5165 -1.6845 2.0232 H 1 UNL1111111111 0.1419 60 H 5.2656 2.8856 -2.5487 H 1 UNL1111111111 0.1481 61 H 5.3456 1.1134 -2.8563 H 1 UNL1111111111 0.1559 62 H -1.5114 -0.6830 1.1079 H 1 UNL1111111111 0.1394 63 H -2.8727 -2.7535 1.7431 H 1 UNL1111111111 0.1455 64 H -2.1453 -3.6222 0.3866 H 1 UNL1111111111 0.1424 65 H -1.1376 -3.0498 1.7243 H 1 UNL1111111111 0.1442 66 H -2.8922 -0.2704 -1.0997 H 1 UNL1111111111 0.1427 67 H -3.4995 -1.9124 -0.9090 H 1 UNL1111111111 0.1365 68 H -4.4708 -1.3520 1.3203 H 1 UNL1111111111 0.1461 69 H -3.6678 0.2179 1.3279 H 1 UNL1111111111 0.1419 70 H -4.9974 0.9920 -0.6388 H 1 UNL1111111111 0.1777 71 H -5.6984 -0.6083 -0.8576 H 1 UNL1111111111 0.1478 72 H -6.0512 1.0737 1.7531 H 1 UNL1111111111 0.1703 73 H -8.5210 3.4128 -1.9047 H 1 UNL1111111111 0.1811 74 H -10.7287 2.3188 -0.8451 H 1 UNL1111111111 0.1882 @BOND 1 1 3 1 2 1 5 1 3 1 15 1 4 1 34 1 5 2 31 ar 6 2 32 ar 7 3 35 1 8 4 31 ar 9 4 33 ar 10 5 7 1 11 5 36 1 12 5 37 1 13 6 7 1 14 6 38 1 15 7 9 1 16 7 39 1 17 8 30 1 18 8 40 1 19 9 10 1 20 9 41 1 21 9 42 1 22 10 11 2 23 10 15 1 24 11 12 1 25 11 43 1 26 12 13 2 27 12 44 1 28 13 14 1 29 13 19 1 30 14 16 1 31 14 45 1 32 14 46 1 33 15 24 2 34 16 17 1 35 16 47 1 36 16 48 1 37 17 18 1 38 17 49 1 39 17 50 1 40 18 19 1 41 18 22 1 42 18 23 1 43 19 20 1 44 19 51 1 45 20 21 1 46 20 52 1 47 20 53 1 48 21 22 1 49 21 54 1 50 21 55 1 51 22 25 1 52 22 56 1 53 23 57 1 54 23 58 1 55 23 59 1 56 24 60 1 57 24 61 1 58 25 26 1 59 25 27 1 60 25 62 1 61 26 63 1 62 26 64 1 63 26 65 1 64 27 28 1 65 27 66 1 66 27 67 1 67 28 29 1 68 28 68 1 69 28 69 1 70 29 30 1 71 29 70 1 72 29 71 1 73 30 31 1 74 30 72 1 75 32 33 ar 76 32 73 1 77 33 74 1