@MOLECULE s-methyl 9-fluoro-11b,17-dihydroxy-16b-methyl-3-oxoandrosta-1,4-diene-17b-carbothioate 17-acetate 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.9804 -1.8718 -0.2540 S.3 1 UNL1111111111 -0.0764 2 F 2.0278 -0.0120 -1.2397 F 1 UNL1111111111 -0.2277 3 O -2.4088 0.3391 -1.3703 O.3 1 UNL1111111111 -0.4545 4 O 1.1410 -2.1745 1.3639 O.3 1 UNL1111111111 -0.5725 5 O -4.1499 -0.0717 1.6569 O.2 1 UNL1111111111 -0.4130 6 O -4.4914 1.1474 -1.6610 O.2 1 UNL1111111111 -0.4944 7 O 6.7152 -0.3365 -1.7654 O.2 1 UNL1111111111 -0.4531 8 C -1.0619 -0.0211 0.5341 C.3 1 UNL1111111111 0.0631 9 C -0.1728 1.1934 0.1530 C.3 1 UNL1111111111 -0.1371 10 C 1.2339 1.0266 0.7125 C.3 1 UNL1111111111 -0.1636 11 C 1.8668 -0.2383 0.0903 C.3 1 UNL1111111111 0.1830 12 C -2.4605 0.5018 0.0399 C.3 1 UNL1111111111 0.1492 13 C -0.9826 2.4009 0.6476 C.3 1 UNL1111111111 -0.2940 14 C -0.5175 -1.2559 -0.1769 C.3 1 UNL1111111111 -0.3579 15 C -2.4595 2.0379 0.3363 C.3 1 UNL1111111111 -0.1018 16 C 0.9629 -1.5178 0.1376 C.3 1 UNL1111111111 0.1285 17 C 3.3228 -0.4591 0.6390 C.3 1 UNL1111111111 -0.0132 18 C 2.0890 2.2705 0.4372 C.3 1 UNL1111111111 -0.2653 19 C -1.1698 -0.2583 2.0445 C.3 1 UNL1111111111 -0.4823 20 C 3.5191 2.0702 0.9536 C.3 1 UNL1111111111 -0.2994 21 C 4.0917 0.8174 0.3542 C.2 1 UNL1111111111 0.0968 22 C -3.3932 2.4939 1.4447 C.3 1 UNL1111111111 -0.4514 23 C -3.5897 -0.3250 0.6305 C.2 1 UNL1111111111 0.3874 24 C 3.3679 -0.7241 2.1516 C.3 1 UNL1111111111 -0.4404 25 C 3.9178 -1.6631 -0.0366 C.2 1 UNL1111111111 -0.0839 26 C 5.1959 0.8436 -0.4045 C.2 1 UNL1111111111 -0.3422 27 C 5.0122 -1.6292 -0.8000 C.2 1 UNL1111111111 -0.2884 28 C -3.4924 0.6757 -2.1313 C.2 1 UNL1111111111 0.6370 29 C 5.7336 -0.3645 -1.0561 C.2 1 UNL1111111111 0.4803 30 C -3.1891 0.3629 -3.5537 C.3 1 UNL1111111111 -0.5048 31 C -5.4616 -2.4333 0.6359 C.3 1 UNL1111111111 -0.4752 32 H -0.1197 1.2580 -0.9655 H 1 UNL1111111111 0.1672 33 H 1.1828 0.8816 1.8210 H 1 UNL1111111111 0.1536 34 H -0.8297 2.5754 1.7247 H 1 UNL1111111111 0.1472 35 H -0.6873 3.3309 0.1389 H 1 UNL1111111111 0.1424 36 H -0.6386 -1.1441 -1.2770 H 1 UNL1111111111 0.1820 37 H -1.0979 -2.1638 0.0849 H 1 UNL1111111111 0.1720 38 H -2.7661 2.5607 -0.6046 H 1 UNL1111111111 0.1568 39 H 1.3646 -2.2814 -0.5819 H 1 UNL1111111111 0.1539 40 H 1.6338 3.1549 0.9218 H 1 UNL1111111111 0.1431 41 H 2.1060 2.5043 -0.6460 H 1 UNL1111111111 0.1586 42 H -1.7023 0.5608 2.5506 H 1 UNL1111111111 0.1734 43 H -1.7212 -1.1784 2.2753 H 1 UNL1111111111 0.1575 44 H -0.1868 -0.3224 2.5270 H 1 UNL1111111111 0.1510 45 H 3.5313 2.0097 2.0605 H 1 UNL1111111111 0.1550 46 H 4.1370 2.9567 0.7039 H 1 UNL1111111111 0.1563 47 H -4.4454 2.2946 1.1898 H 1 UNL1111111111 0.1686 48 H -3.2008 1.9890 2.3990 H 1 UNL1111111111 0.1573 49 H -3.3035 3.5735 1.6154 H 1 UNL1111111111 0.1480 50 H 2.7970 0.0120 2.7236 H 1 UNL1111111111 0.1452 51 H 2.9639 -1.7164 2.4020 H 1 UNL1111111111 0.1773 52 H 4.4036 -0.7015 2.5164 H 1 UNL1111111111 0.1572 53 H 3.3917 -2.6004 0.1683 H 1 UNL1111111111 0.1642 54 H 0.4517 -1.9431 2.0170 H 1 UNL1111111111 0.3284 55 H 5.7532 1.7577 -0.6027 H 1 UNL1111111111 0.1783 56 H 5.4336 -2.5137 -1.2744 H 1 UNL1111111111 0.1774 57 H -3.5818 -0.6338 -3.8196 H 1 UNL1111111111 0.1922 58 H -2.1076 0.3516 -3.7645 H 1 UNL1111111111 0.1890 59 H -3.6650 1.0945 -4.2252 H 1 UNL1111111111 0.1851 60 H -5.5297 -3.5255 0.5693 H 1 UNL1111111111 0.1711 61 H -6.3709 -1.9977 0.2027 H 1 UNL1111111111 0.1734 62 H -5.4337 -2.1529 1.6986 H 1 UNL1111111111 0.1846 @BOND 1 1 23 1 2 1 31 1 3 2 11 1 4 3 12 1 5 3 28 1 6 4 16 1 7 4 54 1 8 5 23 2 9 6 28 2 10 7 29 2 11 8 9 1 12 8 12 1 13 8 14 1 14 8 19 1 15 9 10 1 16 9 13 1 17 9 32 1 18 10 11 1 19 10 18 1 20 10 33 1 21 11 16 1 22 11 17 1 23 12 15 1 24 12 23 1 25 13 15 1 26 13 34 1 27 13 35 1 28 14 16 1 29 14 36 1 30 14 37 1 31 15 22 1 32 15 38 1 33 16 39 1 34 17 21 1 35 17 24 1 36 17 25 1 37 18 20 1 38 18 40 1 39 18 41 1 40 19 42 1 41 19 43 1 42 19 44 1 43 20 21 1 44 20 45 1 45 20 46 1 46 21 26 2 47 22 47 1 48 22 48 1 49 22 49 1 50 24 50 1 51 24 51 1 52 24 52 1 53 25 27 2 54 25 53 1 55 26 29 1 56 26 55 1 57 27 29 1 58 27 56 1 59 28 30 1 60 30 57 1 61 30 58 1 62 30 59 1 63 31 60 1 64 31 61 1 65 31 62 1