@MOLECULE (1r,3r,7e,17beta)-17-[(2r)-5-ethyl-5-hydroxy-2-heptanyl]-2-methylene-9,10-secoestra-5,7-diene-1,3-diol 77 79 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.1160 3.1961 1.3818 C.3 1 UNL1111111111 -0.4302 2 C 6.0121 2.4567 0.6302 C.3 1 UNL1111111111 -0.3256 3 C 6.5472 1.2269 -0.1414 C.3 1 UNL1111111111 0.3116 4 C 7.5591 1.6521 -1.2266 C.3 1 UNL1111111111 -0.2869 5 C 8.1849 0.4637 -1.9540 C.3 1 UNL1111111111 -0.4296 6 O 7.2999 0.4065 0.7329 O.3 1 UNL1111111111 -0.5674 7 C 5.3845 0.4095 -0.7441 C.3 1 UNL1111111111 -0.3452 8 C 4.4616 -0.2084 0.3118 C.3 1 UNL1111111111 -0.2857 9 C 3.2563 -0.9096 -0.3583 C.3 1 UNL1111111111 -0.0852 10 C 3.7069 -2.2734 -0.8964 C.3 1 UNL1111111111 -0.4537 11 C 2.0992 -1.0612 0.6484 C.3 1 UNL1111111111 -0.1482 12 C 1.6354 0.3188 1.2034 C.3 1 UNL1111111111 -0.2787 13 C 0.0970 0.2794 1.3350 C.3 1 UNL1111111111 -0.2771 14 C -0.2554 -1.2008 1.1487 C.3 1 UNL1111111111 -0.1560 15 C 0.7889 -1.6946 0.0925 C.3 1 UNL1111111111 0.0832 16 C 0.4664 -1.1636 -1.3087 C.3 1 UNL1111111111 -0.4603 17 C 0.7443 -3.2297 0.1125 C.3 1 UNL1111111111 -0.3021 18 C -0.6690 -3.7273 -0.2360 C.3 1 UNL1111111111 -0.2535 19 C -1.7674 -3.0907 0.6361 C.3 1 UNL1111111111 -0.2897 20 C -1.6318 -1.5965 0.7229 C.2 1 UNL1111111111 0.0354 21 C -2.6117 -0.7136 0.4758 C.2 1 UNL1111111111 -0.2271 22 C -3.9510 -1.0512 0.0316 C.2 1 UNL1111111111 -0.1843 23 C -4.8428 -0.1649 -0.4428 C.2 1 UNL1111111111 0.0205 24 C -4.5953 1.3034 -0.5680 C.3 1 UNL1111111111 -0.3025 25 C -6.1913 -0.6176 -0.9251 C.3 1 UNL1111111111 -0.3095 26 C -7.3481 0.2445 -0.3865 C.3 1 UNL1111111111 0.1461 27 O -7.4936 -0.1531 0.9696 O.3 1 UNL1111111111 -0.5471 28 C -7.0386 1.7176 -0.4594 C.2 1 UNL1111111111 -0.1027 29 C -7.8485 2.5982 -1.0418 C.2 1 UNL1111111111 -0.3223 30 C -5.7166 2.0622 0.1647 C.3 1 UNL1111111111 0.1586 31 O -5.3857 3.4302 0.0080 O.3 1 UNL1111111111 -0.5603 32 H 7.7646 3.7606 0.7030 H 1 UNL1111111111 0.1408 33 H 6.7004 3.9067 2.1040 H 1 UNL1111111111 0.1378 34 H 7.7590 2.4949 1.9318 H 1 UNL1111111111 0.1580 35 H 5.2343 2.1357 1.3491 H 1 UNL1111111111 0.1407 36 H 5.5039 3.1397 -0.0748 H 1 UNL1111111111 0.1438 37 H 7.0650 2.3290 -1.9452 H 1 UNL1111111111 0.1359 38 H 8.3656 2.2404 -0.7432 H 1 UNL1111111111 0.1522 39 H 9.0468 0.7770 -2.5528 H 1 UNL1111111111 0.1372 40 H 8.5391 -0.2888 -1.2343 H 1 UNL1111111111 0.1638 41 H 7.4758 -0.0283 -2.6265 H 1 UNL1111111111 0.1360 42 H 6.7697 0.1398 1.5055 H 1 UNL1111111111 0.3115 43 H 4.8069 1.0528 -1.4320 H 1 UNL1111111111 0.1446 44 H 5.8087 -0.4015 -1.3697 H 1 UNL1111111111 0.1583 45 H 5.0184 -0.9377 0.9290 H 1 UNL1111111111 0.1391 46 H 4.1106 0.5731 1.0093 H 1 UNL1111111111 0.1365 47 H 2.9086 -0.2808 -1.2123 H 1 UNL1111111111 0.1382 48 H 4.6313 -2.1858 -1.4787 H 1 UNL1111111111 0.1459 49 H 3.8981 -2.9831 -0.0847 H 1 UNL1111111111 0.1439 50 H 2.9521 -2.7136 -1.5570 H 1 UNL1111111111 0.1429 51 H 2.4566 -1.6889 1.4954 H 1 UNL1111111111 0.1334 52 H 2.1066 0.5179 2.1775 H 1 UNL1111111111 0.1309 53 H 1.9387 1.1369 0.5305 H 1 UNL1111111111 0.1389 54 H -0.2458 0.6641 2.3064 H 1 UNL1111111111 0.1365 55 H -0.3772 0.9079 0.5624 H 1 UNL1111111111 0.1433 56 H -0.0446 -1.7194 2.1222 H 1 UNL1111111111 0.1471 57 H 1.0986 -1.6294 -2.0702 H 1 UNL1111111111 0.1410 58 H -0.5789 -1.3591 -1.5801 H 1 UNL1111111111 0.1565 59 H 0.6095 -0.0789 -1.3688 H 1 UNL1111111111 0.1486 60 H 1.4721 -3.6533 -0.6018 H 1 UNL1111111111 0.1404 61 H 1.0445 -3.6079 1.1064 H 1 UNL1111111111 0.1371 62 H -0.8817 -3.5151 -1.3016 H 1 UNL1111111111 0.1403 63 H -0.7096 -4.8273 -0.1325 H 1 UNL1111111111 0.1307 64 H -2.7583 -3.3880 0.2398 H 1 UNL1111111111 0.1453 65 H -1.7214 -3.5128 1.6622 H 1 UNL1111111111 0.1487 66 H -2.4173 0.3550 0.6056 H 1 UNL1111111111 0.1555 67 H -4.2215 -2.1081 0.0985 H 1 UNL1111111111 0.1495 68 H -3.6145 1.6157 -0.1553 H 1 UNL1111111111 0.1672 69 H -4.5659 1.6106 -1.6344 H 1 UNL1111111111 0.1666 70 H -6.2086 -0.6018 -2.0345 H 1 UNL1111111111 0.1559 71 H -6.3845 -1.6719 -0.6281 H 1 UNL1111111111 0.1674 72 H -8.3007 -0.0110 -0.9071 H 1 UNL1111111111 0.1196 73 H -8.1215 0.4316 1.4350 H 1 UNL1111111111 0.3106 74 H -8.7916 2.3414 -1.4985 H 1 UNL1111111111 0.1475 75 H -7.6210 3.6512 -1.1312 H 1 UNL1111111111 0.1567 76 H -5.7150 1.8268 1.2566 H 1 UNL1111111111 0.1395 77 H -6.0470 3.9987 0.4454 H 1 UNL1111111111 0.3134 @BOND 1 1 32 1 2 1 33 1 3 1 34 1 4 2 1 1 5 2 3 1 6 2 35 1 7 2 36 1 8 3 4 1 9 4 5 1 10 4 37 1 11 4 38 1 12 5 39 1 13 5 40 1 14 5 41 1 15 6 3 1 16 6 42 1 17 7 3 1 18 7 8 1 19 7 43 1 20 7 44 1 21 8 45 1 22 8 46 1 23 9 8 1 24 9 11 1 25 9 47 1 26 10 9 1 27 10 48 1 28 10 49 1 29 10 50 1 30 11 15 1 31 11 12 1 32 11 51 1 33 12 13 1 34 12 52 1 35 12 53 1 36 13 54 1 37 13 55 1 38 14 13 1 39 14 20 1 40 14 56 1 41 15 14 1 42 15 16 1 43 16 57 1 44 16 58 1 45 16 59 1 46 17 18 1 47 17 15 1 48 17 60 1 49 17 61 1 50 18 19 1 51 18 62 1 52 18 63 1 53 19 20 1 54 19 64 1 55 19 65 1 56 20 21 2 57 21 22 1 58 21 66 1 59 22 23 2 60 22 67 1 61 23 25 1 62 23 24 1 63 24 30 1 64 24 68 1 65 24 69 1 66 25 26 1 67 25 70 1 68 25 71 1 69 26 28 1 70 26 72 1 71 27 26 1 72 27 73 1 73 28 29 2 74 29 74 1 75 29 75 1 76 30 28 1 77 30 31 1 78 30 76 1 79 31 77 1