@MOLECULE estra-4,9(11)-diene-3,17-dione, 10-(2-(methylthio)ethyl)- 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.5526 3.8684 0.1289 S.3 1 UNL1111111111 -0.0133 2 O 5.1488 -0.3061 -1.4687 O.2 1 UNL1111111111 -0.4462 3 O -5.0745 -2.3988 -0.5574 O.2 1 UNL1111111111 -0.4604 4 C 2.3044 -1.0788 0.4440 C.3 1 UNL1111111111 -0.1351 5 C 0.8847 -0.6934 0.8537 C.3 1 UNL1111111111 -0.1191 6 C 2.8983 -0.0603 -0.5640 C.3 1 UNL1111111111 -0.0361 7 C -1.4452 -0.3387 -0.1987 C.3 1 UNL1111111111 0.0180 8 C 0.0610 -0.4400 -0.3911 C.2 1 UNL1111111111 -0.0374 9 C 3.3784 -1.1913 1.5403 C.3 1 UNL1111111111 -0.2721 10 C 0.2891 -1.8444 1.6765 C.3 1 UNL1111111111 -0.2667 11 C 2.1112 -0.2143 -1.8625 C.3 1 UNL1111111111 -0.2748 12 C 4.3662 -0.4907 -0.5813 C.2 1 UNL1111111111 0.4648 13 C -1.9747 -1.3179 0.8354 C.2 1 UNL1111111111 0.1053 14 C 4.6882 -1.1956 0.7272 C.3 1 UNL1111111111 -0.3875 15 C 0.6361 -0.2343 -1.5876 C.2 1 UNL1111111111 -0.1894 16 C -1.1519 -1.5266 2.0668 C.3 1 UNL1111111111 -0.3047 17 C -2.1805 -0.5908 -1.5374 C.3 1 UNL1111111111 -0.2702 18 C 2.8861 1.3953 -0.0918 C.3 1 UNL1111111111 -0.4482 19 C -1.7538 1.0844 0.3591 C.3 1 UNL1111111111 -0.2797 20 C -3.6975 -0.6406 -1.3669 C.3 1 UNL1111111111 -0.3829 21 C -3.1527 -1.9499 0.7178 C.2 1 UNL1111111111 -0.3619 22 C -1.3382 2.1966 -0.5941 C.3 1 UNL1111111111 -0.3246 23 C -4.0688 -1.7465 -0.4121 C.2 1 UNL1111111111 0.4918 24 C -0.4957 3.8588 1.6120 C.3 1 UNL1111111111 -0.4967 25 H 2.2474 -2.0717 -0.0732 H 1 UNL1111111111 0.1501 26 H 0.9083 0.2342 1.4755 H 1 UNL1111111111 0.1474 27 H 3.2613 -2.1074 2.1510 H 1 UNL1111111111 0.1424 28 H 3.3435 -0.3426 2.2420 H 1 UNL1111111111 0.1438 29 H 0.9015 -2.0242 2.5794 H 1 UNL1111111111 0.1420 30 H 0.3237 -2.7847 1.0916 H 1 UNL1111111111 0.1523 31 H 2.4018 -1.1446 -2.3964 H 1 UNL1111111111 0.1607 32 H 2.3652 0.6067 -2.5672 H 1 UNL1111111111 0.1623 33 H 5.0297 -2.2270 0.5249 H 1 UNL1111111111 0.1718 34 H 5.5178 -0.6938 1.2489 H 1 UNL1111111111 0.1703 35 H 0.0484 -0.0570 -2.4888 H 1 UNL1111111111 0.1509 36 H -1.1978 -0.6208 2.7091 H 1 UNL1111111111 0.1564 37 H -1.5598 -2.3435 2.6981 H 1 UNL1111111111 0.1594 38 H -1.8234 -1.5515 -1.9654 H 1 UNL1111111111 0.1568 39 H -1.9213 0.1886 -2.2761 H 1 UNL1111111111 0.1464 40 H 1.8622 1.7732 0.0078 H 1 UNL1111111111 0.1532 41 H 3.3828 1.5207 0.8758 H 1 UNL1111111111 0.1483 42 H 3.4058 2.0441 -0.8142 H 1 UNL1111111111 0.1608 43 H -1.2278 1.1921 1.3285 H 1 UNL1111111111 0.1437 44 H -2.8354 1.1622 0.5944 H 1 UNL1111111111 0.1599 45 H -4.2093 -0.7840 -2.3386 H 1 UNL1111111111 0.1737 46 H -4.0873 0.3218 -0.9772 H 1 UNL1111111111 0.1717 47 H -3.5129 -2.6576 1.4668 H 1 UNL1111111111 0.1795 48 H -0.2916 2.0659 -0.9307 H 1 UNL1111111111 0.1638 49 H -1.9649 2.1878 -1.5090 H 1 UNL1111111111 0.1680 50 H -0.9034 3.2271 2.4072 H 1 UNL1111111111 0.1589 51 H -0.4463 4.8882 1.9954 H 1 UNL1111111111 0.1734 52 H 0.5254 3.5335 1.3940 H 1 UNL1111111111 0.1589 @BOND 1 1 22 1 2 1 24 1 3 2 12 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 9 1 8 4 25 1 9 5 8 1 10 5 10 1 11 5 26 1 12 6 11 1 13 6 12 1 14 6 18 1 15 7 8 1 16 7 13 1 17 7 17 1 18 7 19 1 19 8 15 2 20 9 14 1 21 9 27 1 22 9 28 1 23 10 16 1 24 10 29 1 25 10 30 1 26 11 15 1 27 11 31 1 28 11 32 1 29 12 14 1 30 13 16 1 31 13 21 2 32 14 33 1 33 14 34 1 34 15 35 1 35 16 36 1 36 16 37 1 37 17 20 1 38 17 38 1 39 17 39 1 40 18 40 1 41 18 41 1 42 18 42 1 43 19 22 1 44 19 43 1 45 19 44 1 46 20 23 1 47 20 45 1 48 20 46 1 49 21 23 1 50 21 47 1 51 22 48 1 52 22 49 1 53 24 50 1 54 24 51 1 55 24 52 1