@MOLECULE (3alpha,5alpha)-17-oxoandrostan-3-yl bromoacetate 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 BR -6.1638 0.8910 0.1928 Br 1 UNL1111111111 -0.0340 2 O -2.5310 0.1748 0.3622 O.3 1 UNL1111111111 -0.4488 3 O 5.8855 2.7589 1.0324 O.2 1 UNL1111111111 -0.4545 4 O -3.7318 -0.6681 -1.3450 O.2 1 UNL1111111111 -0.4816 5 C 2.0070 -0.6566 0.4817 C.3 1 UNL1111111111 -0.1316 6 C 1.1446 -1.9436 0.4999 C.3 1 UNL1111111111 0.0660 7 C 2.9135 -0.6107 -0.7802 C.3 1 UNL1111111111 -0.1155 8 C 3.6700 0.7159 -0.7284 C.3 1 UNL1111111111 -0.1410 9 C 0.3048 -2.0275 -0.8064 C.3 1 UNL1111111111 -0.1099 10 C 4.6027 0.7541 0.5121 C.3 1 UNL1111111111 -0.0379 11 C 2.8345 -0.4887 1.7738 C.3 1 UNL1111111111 -0.2809 12 C 2.0732 -0.6984 -2.0610 C.3 1 UNL1111111111 -0.2819 13 C 3.7246 0.7678 1.7584 C.3 1 UNL1111111111 -0.2743 14 C 1.2005 -1.9558 -2.0545 C.3 1 UNL1111111111 -0.2805 15 C 0.1718 -1.9560 1.7073 C.3 1 UNL1111111111 -0.2934 16 C 4.5905 1.1116 -1.8982 C.3 1 UNL1111111111 -0.2705 17 C -0.7671 -0.9262 -0.8778 C.3 1 UNL1111111111 -0.3424 18 C 2.0167 -3.2072 0.6191 C.3 1 UNL1111111111 -0.4686 19 C 5.4081 2.0187 0.2208 C.2 1 UNL1111111111 0.4671 20 C -0.8740 -0.8420 1.6483 C.3 1 UNL1111111111 -0.3063 21 C 5.5078 2.1931 -1.2866 C.3 1 UNL1111111111 -0.3877 22 C -1.6705 -0.9849 0.3506 C.3 1 UNL1111111111 0.1541 23 C 5.6365 -0.3767 0.5778 C.3 1 UNL1111111111 -0.4476 24 C -3.5492 0.1912 -0.5238 C.2 1 UNL1111111111 0.6005 25 C -4.3667 1.4296 -0.3192 C.3 1 UNL1111111111 -0.3431 26 H 1.3061 0.2135 0.4207 H 1 UNL1111111111 0.1421 27 H 3.6282 -1.4631 -0.7588 H 1 UNL1111111111 0.1411 28 H 2.9087 1.5332 -0.6199 H 1 UNL1111111111 0.1433 29 H -0.2189 -3.0158 -0.8111 H 1 UNL1111111111 0.1358 30 H 2.1547 -0.4316 2.6431 H 1 UNL1111111111 0.1378 31 H 3.4621 -1.3833 1.9393 H 1 UNL1111111111 0.1404 32 H 1.4425 0.2037 -2.1683 H 1 UNL1111111111 0.1395 33 H 2.7379 -0.7066 -2.9452 H 1 UNL1111111111 0.1354 34 H 1.8398 -2.8573 -2.1061 H 1 UNL1111111111 0.1381 35 H 0.5732 -1.9836 -2.9661 H 1 UNL1111111111 0.1396 36 H 3.1016 1.6812 1.7850 H 1 UNL1111111111 0.1441 37 H 4.3459 0.8086 2.6732 H 1 UNL1111111111 0.1515 38 H -0.3378 -2.9389 1.7496 H 1 UNL1111111111 0.1426 39 H 0.7422 -1.8833 2.6517 H 1 UNL1111111111 0.1433 40 H 5.1690 0.2492 -2.2652 H 1 UNL1111111111 0.1422 41 H 4.0208 1.4922 -2.7575 H 1 UNL1111111111 0.1410 42 H -1.3696 -1.0504 -1.8006 H 1 UNL1111111111 0.1640 43 H -0.3012 0.0738 -0.9570 H 1 UNL1111111111 0.1567 44 H 2.7831 -3.2449 -0.1619 H 1 UNL1111111111 0.1488 45 H 2.5334 -3.2486 1.5834 H 1 UNL1111111111 0.1445 46 H 1.4160 -4.1186 0.5300 H 1 UNL1111111111 0.1454 47 H -1.5491 -0.8910 2.5232 H 1 UNL1111111111 0.1498 48 H -0.3973 0.1561 1.6990 H 1 UNL1111111111 0.1581 49 H 5.1938 3.2109 -1.5756 H 1 UNL1111111111 0.1694 50 H 6.5535 2.0958 -1.6218 H 1 UNL1111111111 0.1678 51 H -2.3160 -1.8898 0.3500 H 1 UNL1111111111 0.1374 52 H 6.3260 -0.2227 1.4182 H 1 UNL1111111111 0.1558 53 H 6.2336 -0.4432 -0.3382 H 1 UNL1111111111 0.1474 54 H 5.1598 -1.3528 0.7236 H 1 UNL1111111111 0.1552 55 H -3.9679 2.0837 0.4774 H 1 UNL1111111111 0.1937 56 H -4.4415 2.0142 -1.2541 H 1 UNL1111111111 0.1922 @BOND 1 1 25 1 2 2 22 1 3 2 24 1 4 3 19 2 5 4 24 2 6 5 6 1 7 5 7 1 8 5 11 1 9 5 26 1 10 6 9 1 11 6 15 1 12 6 18 1 13 7 8 1 14 7 12 1 15 7 27 1 16 8 10 1 17 8 16 1 18 8 28 1 19 9 14 1 20 9 17 1 21 9 29 1 22 10 13 1 23 10 19 1 24 10 23 1 25 11 13 1 26 11 30 1 27 11 31 1 28 12 14 1 29 12 32 1 30 12 33 1 31 13 36 1 32 13 37 1 33 14 34 1 34 14 35 1 35 15 20 1 36 15 38 1 37 15 39 1 38 16 21 1 39 16 40 1 40 16 41 1 41 17 22 1 42 17 42 1 43 17 43 1 44 18 44 1 45 18 45 1 46 18 46 1 47 19 21 1 48 20 22 1 49 20 47 1 50 20 48 1 51 21 49 1 52 21 50 1 53 22 51 1 54 23 52 1 55 23 53 1 56 23 54 1 57 24 25 1 58 25 55 1 59 25 56 1