@MOLECULE (1s,3r,5z,7e,9xi,17beta)-17-[(4-hydroxy-4-methylpentyl)oxy]-9,10-secoandrosta-5,7,10-triene-1,3-diol 69 71 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.6326 -1.0184 0.5227 O.3 1 UNL11111111111 -0.3952 2 O 6.4260 1.1395 -1.8218 O.3 1 UNL11111111111 -0.5724 3 O -5.8142 2.0084 2.4721 O.3 1 UNL11111111111 -0.5707 4 O -6.6694 -0.8988 -0.6152 O.3 1 UNL11111111111 -0.5500 5 C 1.3757 -1.5470 0.0570 C.3 1 UNL11111111111 0.0669 6 C 0.0977 -1.4431 0.9452 C.3 1 UNL11111111111 -0.1639 7 C 2.4865 -1.5524 1.1452 C.3 1 UNL11111111111 0.0801 8 C 0.4626 -0.3713 1.9829 C.3 1 UNL11111111111 -0.2691 9 C 1.2744 -2.8361 -0.7638 C.3 1 UNL11111111111 -0.2991 10 C 1.9608 -0.6190 2.2697 C.3 1 UNL11111111111 -0.3265 11 C -1.0897 -1.2776 0.0564 C.2 1 UNL11111111111 0.0634 12 C 0.0035 -2.8067 -1.6306 C.3 1 UNL11111111111 -0.2497 13 C 1.5665 -0.3351 -0.8587 C.3 1 UNL11111111111 -0.4450 14 C -1.2719 -2.4807 -0.8280 C.3 1 UNL11111111111 -0.2938 15 C -1.8913 -0.2021 0.0686 C.2 1 UNL11111111111 -0.2498 16 C 4.8326 -1.1625 1.2714 C.3 1 UNL11111111111 -0.0495 17 C -3.0332 -0.0217 -0.8081 C.2 1 UNL11111111111 -0.1491 18 C 5.8767 -0.4149 0.4349 C.3 1 UNL11111111111 -0.2751 19 C -4.1206 0.7092 -0.5083 C.2 1 UNL11111111111 -0.0392 20 C 5.5096 1.0678 0.3280 C.3 1 UNL11111111111 -0.2994 21 C -4.3246 1.4522 0.7718 C.3 1 UNL11111111111 -0.3094 22 C 6.4682 1.8442 -0.5911 C.3 1 UNL11111111111 0.3521 23 C -5.2356 0.8296 -1.4564 C.2 1 UNL11111111111 -0.0502 24 C -5.6803 1.0892 1.3995 C.3 1 UNL11111111111 0.1783 25 C -6.5879 0.4861 -0.8784 C.3 1 UNL11111111111 0.1589 26 C -6.8412 1.2755 0.4142 C.3 1 UNL11111111111 -0.3986 27 C 7.9120 1.8577 -0.0747 C.3 1 UNL11111111111 -0.5127 28 C 5.9560 3.2736 -0.8216 C.3 1 UNL11111111111 -0.5149 29 C -5.0826 1.2155 -2.7242 C.2 1 UNL11111111111 -0.3100 30 H -0.0302 -2.4110 1.5008 H 1 UNL11111111111 0.1475 31 H 2.6983 -2.5712 1.5188 H 1 UNL11111111111 0.1103 32 H 0.3037 0.6449 1.5839 H 1 UNL11111111111 0.1462 33 H -0.1519 -0.4523 2.8909 H 1 UNL11111111111 0.1366 34 H 1.2624 -3.7195 -0.1012 H 1 UNL11111111111 0.1335 35 H 2.1695 -2.9499 -1.4041 H 1 UNL11111111111 0.1504 36 H 2.5235 0.3292 2.2636 H 1 UNL11111111111 0.1541 37 H 2.1086 -1.0702 3.2599 H 1 UNL11111111111 0.1329 38 H 0.1275 -2.0576 -2.4371 H 1 UNL11111111111 0.1441 39 H -0.1216 -3.7808 -2.1382 H 1 UNL11111111111 0.1318 40 H 1.7455 0.5796 -0.2815 H 1 UNL11111111111 0.1511 41 H 0.6921 -0.1605 -1.4933 H 1 UNL11111111111 0.1484 42 H 2.4428 -0.4717 -1.5070 H 1 UNL11111111111 0.1603 43 H -1.5508 -3.3519 -0.1989 H 1 UNL11111111111 0.1495 44 H -2.1178 -2.3481 -1.5305 H 1 UNL11111111111 0.1467 45 H -1.6970 0.6187 0.7628 H 1 UNL11111111111 0.1605 46 H 4.7097 -0.7212 2.2739 H 1 UNL11111111111 0.1119 47 H 5.0749 -2.2347 1.3668 H 1 UNL11111111111 0.1120 48 H -2.9708 -0.5254 -1.7786 H 1 UNL11111111111 0.1547 49 H 6.8790 -0.5490 0.8755 H 1 UNL11111111111 0.1350 50 H 5.9197 -0.8531 -0.5864 H 1 UNL11111111111 0.1734 51 H 5.4864 1.5383 1.3255 H 1 UNL11111111111 0.1357 52 H 4.4771 1.1459 -0.0803 H 1 UNL11111111111 0.1718 53 H -4.2881 2.5489 0.5858 H 1 UNL11111111111 0.1729 54 H -3.5192 1.2611 1.5092 H 1 UNL11111111111 0.1660 55 H -5.6683 0.0623 1.8261 H 1 UNL11111111111 0.1158 56 H -7.4188 0.6306 -1.6082 H 1 UNL11111111111 0.1457 57 H -7.7920 0.9420 0.8687 H 1 UNL11111111111 0.1569 58 H -6.9659 2.3508 0.1831 H 1 UNL11111111111 0.1667 59 H 8.5523 2.5123 -0.6725 H 1 UNL11111111111 0.1456 60 H 7.9607 2.1999 0.9631 H 1 UNL11111111111 0.1532 61 H 8.3456 0.8509 -0.1169 H 1 UNL11111111111 0.1608 62 H 6.6215 3.8428 -1.4765 H 1 UNL11111111111 0.1460 63 H 5.8658 3.8223 0.1202 H 1 UNL11111111111 0.1533 64 H 4.9670 3.2551 -1.2971 H 1 UNL11111111111 0.1642 65 H -5.8954 1.3086 -3.4269 H 1 UNL11111111111 0.1477 66 H -4.1252 1.4717 -3.1539 H 1 UNL11111111111 0.1543 67 H 6.9708 1.5775 -2.4979 H 1 UNL11111111111 0.3109 68 H -6.6635 1.8878 2.9331 H 1 UNL11111111111 0.3154 69 H -5.8663 -1.2202 -0.1557 H 1 UNL11111111111 0.3198 @BOND 1 1 7 1 2 1 16 1 3 2 22 1 4 2 67 1 5 3 24 1 6 3 68 1 7 4 25 1 8 4 69 1 9 5 6 1 10 5 7 1 11 5 9 1 12 5 13 1 13 6 8 1 14 6 11 1 15 6 30 1 16 7 10 1 17 7 31 1 18 8 10 1 19 8 32 1 20 8 33 1 21 9 12 1 22 9 34 1 23 9 35 1 24 10 36 1 25 10 37 1 26 11 14 1 27 11 15 2 28 12 14 1 29 12 38 1 30 12 39 1 31 13 40 1 32 13 41 1 33 13 42 1 34 14 43 1 35 14 44 1 36 15 17 1 37 15 45 1 38 16 18 1 39 16 46 1 40 16 47 1 41 17 19 2 42 17 48 1 43 18 20 1 44 18 49 1 45 18 50 1 46 19 21 1 47 19 23 1 48 20 22 1 49 20 51 1 50 20 52 1 51 21 24 1 52 21 53 1 53 21 54 1 54 22 27 1 55 22 28 1 56 23 25 1 57 23 29 2 58 24 26 1 59 24 55 1 60 25 26 1 61 25 56 1 62 26 57 1 63 26 58 1 64 27 59 1 65 27 60 1 66 27 61 1 67 28 62 1 68 28 63 1 69 28 64 1 70 29 65 1 71 29 66 1