@MOLECULE (1r,3r,7e,17beta)-17-[(2r,6s)-6-(adamantan-1-yl)-6-hydroxy-4-hexyn-2-yl]-2-methylene-9,10-secoestra-5,7-diene-1,3-diol 88 93 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.0444 0.7831 0.0942 C.3 1 UNL111111111 0.0366 2 C 5.5487 1.6101 1.2975 C.3 1 UNL111111111 -0.3004 3 C 5.2484 3.0500 0.8417 C.3 1 UNL111111111 -0.0775 4 C 6.5300 3.6863 0.2717 C.3 1 UNL111111111 -0.2941 5 C 7.0231 2.8608 -0.9319 C.3 1 UNL111111111 -0.0798 6 C 7.3242 1.4219 -0.4763 C.3 1 UNL111111111 -0.2921 7 C 4.9553 0.7618 -0.9963 C.3 1 UNL111111111 -0.2969 8 C 4.1586 3.0257 -0.2460 C.3 1 UNL111111111 -0.2923 9 C 5.9329 2.8386 -2.0196 C.3 1 UNL111111111 -0.2955 10 C 4.6520 2.2020 -1.4500 C.3 1 UNL111111111 -0.0763 11 C 6.3745 -0.6617 0.5742 C.3 1 UNL111111111 0.1519 12 C 5.1841 -1.3591 0.9883 C.1 1 UNL111111111 -0.1894 13 O 7.0421 -1.3721 -0.4541 O.3 1 UNL111111111 -0.5376 14 C 4.1618 -1.9273 1.3038 C.1 1 UNL111111111 -0.0460 15 C 2.9183 -2.5568 1.6309 C.3 1 UNL111111111 -0.2656 16 C 1.9160 -2.3685 0.4560 C.3 1 UNL111111111 -0.0706 17 C 2.3187 -3.3177 -0.6773 C.3 1 UNL111111111 -0.4562 18 C 0.4803 -2.6236 0.9425 C.3 1 UNL111111111 -0.1527 19 C -0.6387 -2.4636 -0.1291 C.3 1 UNL111111111 0.0862 20 C -1.8930 -2.2446 0.7809 C.3 1 UNL111111111 -0.1573 21 C -1.4068 -1.2345 1.8263 C.3 1 UNL111111111 -0.2753 22 C 0.0713 -1.6186 2.0606 C.3 1 UNL111111111 -0.2796 23 C -0.9150 -3.7181 -0.9708 C.3 1 UNL111111111 -0.3032 24 C -2.1917 -3.5335 -1.8090 C.3 1 UNL111111111 -0.2546 25 C -3.4086 -3.0971 -0.9721 C.3 1 UNL111111111 -0.2896 26 C -3.0822 -1.9401 -0.0705 C.2 1 UNL111111111 0.0329 27 C -0.3768 -1.2525 -1.0306 C.3 1 UNL111111111 -0.4595 28 C -3.7630 -0.7854 -0.0123 C.2 1 UNL111111111 -0.2244 29 C -4.9046 -0.4483 -0.8412 C.2 1 UNL111111111 -0.1874 30 C -5.6471 0.6634 -0.7052 C.2 1 UNL111111111 0.0245 31 C -6.7809 0.9424 -1.6498 C.3 1 UNL111111111 -0.3098 32 C -8.0711 1.3714 -0.9282 C.3 1 UNL111111111 0.1457 33 C -7.7954 2.4044 0.1333 C.2 1 UNL111111111 -0.1028 34 C -6.7297 1.9681 1.0976 C.3 1 UNL111111111 0.1595 35 C -5.4185 1.7135 0.3326 C.3 1 UNL111111111 -0.3038 36 C -8.4160 3.5806 0.1765 C.2 1 UNL111111111 -0.3214 37 O -6.4026 2.9808 2.0322 O.3 1 UNL111111111 -0.5605 38 O -8.5660 0.1810 -0.3317 O.3 1 UNL111111111 -0.5464 39 H 4.6417 1.1503 1.7301 H 1 UNL111111111 0.1430 40 H 6.3063 1.6168 2.1000 H 1 UNL111111111 0.1357 41 H 4.8929 3.6462 1.7109 H 1 UNL111111111 0.1201 42 H 6.3356 4.7284 -0.0337 H 1 UNL111111111 0.1313 43 H 7.3118 3.7317 1.0491 H 1 UNL111111111 0.1335 44 H 7.9483 3.3201 -1.3440 H 1 UNL111111111 0.1205 45 H 8.1281 1.4193 0.2798 H 1 UNL111111111 0.1378 46 H 7.7060 0.8197 -1.3217 H 1 UNL111111111 0.1505 47 H 5.2848 0.1570 -1.8582 H 1 UNL111111111 0.1311 48 H 4.0346 0.2860 -0.6117 H 1 UNL111111111 0.1431 49 H 3.2265 2.5929 0.1570 H 1 UNL111111111 0.1357 50 H 3.9126 4.0539 -0.5617 H 1 UNL111111111 0.1313 51 H 5.7262 3.8626 -2.3741 H 1 UNL111111111 0.1319 52 H 6.2833 2.2711 -2.8990 H 1 UNL111111111 0.1340 53 H 3.8643 2.1841 -2.2353 H 1 UNL111111111 0.1214 54 H 7.1576 -0.6435 1.3763 H 1 UNL111111111 0.1599 55 H 6.4370 -1.5522 -1.2011 H 1 UNL111111111 0.3116 56 H 3.0527 -3.6417 1.8422 H 1 UNL111111111 0.1634 57 H 2.5051 -2.1293 2.5729 H 1 UNL111111111 0.1636 58 H 1.9949 -1.3150 0.0918 H 1 UNL111111111 0.1457 59 H 2.1039 -4.3615 -0.4274 H 1 UNL111111111 0.1432 60 H 1.7916 -3.0805 -1.6079 H 1 UNL111111111 0.1463 61 H 3.3933 -3.2450 -0.8881 H 1 UNL111111111 0.1522 62 H 0.4261 -3.6587 1.3485 H 1 UNL111111111 0.1335 63 H -2.1074 -3.2052 1.3218 H 1 UNL111111111 0.1468 64 H -1.4883 -0.1987 1.4566 H 1 UNL111111111 0.1435 65 H -1.9988 -1.2851 2.7517 H 1 UNL111111111 0.1364 66 H 0.2046 -2.0735 3.0535 H 1 UNL111111111 0.1306 67 H 0.7071 -0.7189 2.0362 H 1 UNL111111111 0.1412 68 H -0.0635 -3.9368 -1.6392 H 1 UNL111111111 0.1410 69 H -1.0178 -4.6019 -0.3156 H 1 UNL111111111 0.1367 70 H -2.0069 -2.7819 -2.6006 H 1 UNL111111111 0.1404 71 H -2.4273 -4.4772 -2.3348 H 1 UNL111111111 0.1313 72 H -4.2512 -2.8622 -1.6522 H 1 UNL111111111 0.1463 73 H -3.7632 -3.9473 -0.3524 H 1 UNL111111111 0.1493 74 H -1.2835 -0.9556 -1.5725 H 1 UNL111111111 0.1549 75 H -0.0580 -0.3803 -0.4489 H 1 UNL111111111 0.1507 76 H 0.3971 -1.4626 -1.7746 H 1 UNL111111111 0.1429 77 H -3.4564 -0.0163 0.7020 H 1 UNL111111111 0.1544 78 H -5.1498 -1.1684 -1.6266 H 1 UNL111111111 0.1496 79 H -6.4782 1.7367 -2.3632 H 1 UNL111111111 0.1564 80 H -7.0139 0.0460 -2.2651 H 1 UNL111111111 0.1668 81 H -8.8364 1.7135 -1.6632 H 1 UNL111111111 0.1198 82 H -7.0483 1.0588 1.6626 H 1 UNL111111111 0.1393 83 H -4.6270 1.4386 1.0596 H 1 UNL111111111 0.1672 84 H -5.0661 2.6579 -0.1334 H 1 UNL111111111 0.1670 85 H -8.1981 4.3442 0.9101 H 1 UNL111111111 0.1571 86 H -9.1730 3.8908 -0.5267 H 1 UNL111111111 0.1474 87 H -7.1727 3.2019 2.5882 H 1 UNL111111111 0.3135 88 H -9.3264 0.3772 0.2482 H 1 UNL111111111 0.3105 @BOND 1 1 11 1 2 1 6 1 3 2 1 1 4 2 39 1 5 2 40 1 6 3 2 1 7 3 4 1 8 3 41 1 9 4 5 1 10 4 42 1 11 4 43 1 12 5 6 1 13 5 44 1 14 6 45 1 15 6 46 1 16 7 1 1 17 7 47 1 18 7 48 1 19 8 10 1 20 8 3 1 21 8 49 1 22 8 50 1 23 9 5 1 24 9 51 1 25 9 52 1 26 10 7 1 27 10 9 1 28 10 53 1 29 11 12 1 30 11 13 1 31 11 54 1 32 12 14 3 33 13 55 1 34 14 15 1 35 15 56 1 36 15 57 1 37 16 15 1 38 16 17 1 39 16 58 1 40 17 59 1 41 17 60 1 42 17 61 1 43 18 16 1 44 18 62 1 45 19 23 1 46 19 18 1 47 20 19 1 48 20 63 1 49 21 20 1 50 21 22 1 51 21 64 1 52 21 65 1 53 22 18 1 54 22 66 1 55 22 67 1 56 23 68 1 57 23 69 1 58 24 23 1 59 24 70 1 60 24 71 1 61 25 24 1 62 25 72 1 63 25 73 1 64 26 25 1 65 26 20 1 66 27 19 1 67 27 74 1 68 27 75 1 69 27 76 1 70 28 26 2 71 28 77 1 72 29 28 1 73 29 78 1 74 30 29 2 75 31 30 1 76 31 79 1 77 31 80 1 78 32 38 1 79 32 31 1 80 32 81 1 81 33 34 1 82 33 32 1 83 34 35 1 84 34 82 1 85 35 30 1 86 35 83 1 87 35 84 1 88 36 33 2 89 36 85 1 90 36 86 1 91 37 34 1 92 37 87 1 93 38 88 1