@MOLECULE [(3,17-dioxoandrost-4-en-19-yl)oxy]acetic acid 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4482 0.4841 0.9418 O.3 1 UNL1111111111 -0.3437 2 O 5.6881 1.0359 -1.2111 O.2 1 UNL1111111111 -0.4468 3 O -4.1022 -2.9739 -0.9658 O.2 1 UNL1111111111 -0.4738 4 O -4.9420 2.9629 0.9080 O.3 1 UNL1111111111 -0.5665 5 O -3.6093 2.4144 -0.7931 O.2 1 UNL1111111111 -0.4980 6 C 1.5433 -0.5706 0.7179 C.3 1 UNL1111111111 -0.1212 7 C 0.7569 -0.5161 -0.6189 C.3 1 UNL1111111111 -0.1309 8 C 3.0272 -0.5912 0.3600 C.3 1 UNL1111111111 -0.1383 9 C 3.4259 0.7239 -0.3625 C.3 1 UNL1111111111 -0.0400 10 C -0.7814 -0.5197 -0.3813 C.3 1 UNL1111111111 -0.0022 11 C 1.1915 0.6821 -1.4902 C.3 1 UNL1111111111 -0.2790 12 C 2.7142 0.7481 -1.7102 C.3 1 UNL1111111111 -0.2718 13 C 1.1486 -1.8363 1.4881 C.3 1 UNL1111111111 -0.2800 14 C 4.0734 -0.7331 1.4807 C.3 1 UNL1111111111 -0.2730 15 C -1.1713 -1.6405 0.5592 C.2 1 UNL1111111111 0.1173 16 C -0.3483 -1.8072 1.7994 C.3 1 UNL1111111111 -0.3030 17 C 4.9471 0.5832 -0.3861 C.2 1 UNL1111111111 0.4614 18 C -1.4682 -0.7122 -1.7557 C.3 1 UNL1111111111 -0.2681 19 C 5.3769 -0.2301 0.8239 C.3 1 UNL1111111111 -0.3880 20 C 3.1523 2.0069 0.4315 C.3 1 UNL1111111111 -0.4464 21 C -1.2369 0.8126 0.2586 C.3 1 UNL1111111111 -0.0765 22 C -2.9600 -1.0013 -1.6216 C.3 1 UNL1111111111 -0.3799 23 C -2.2454 -2.4174 0.3555 C.2 1 UNL1111111111 -0.3538 24 C -3.1810 -2.2179 -0.7622 C.2 1 UNL1111111111 0.4992 25 C -3.1317 1.5885 1.4697 C.3 1 UNL1111111111 -0.1220 26 C -3.8668 2.3278 0.3765 C.2 1 UNL1111111111 0.6085 27 H 1.3118 0.3217 1.3405 H 1 UNL1111111111 0.1399 28 H 1.0017 -1.4523 -1.1827 H 1 UNL1111111111 0.1492 29 H 3.1916 -1.4450 -0.3503 H 1 UNL1111111111 0.1462 30 H 0.8484 1.6306 -1.0385 H 1 UNL1111111111 0.1387 31 H 0.6939 0.6237 -2.4781 H 1 UNL1111111111 0.1455 32 H 3.0506 -0.0948 -2.3431 H 1 UNL1111111111 0.1460 33 H 2.9801 1.6617 -2.2763 H 1 UNL1111111111 0.1540 34 H 1.7324 -1.9128 2.4246 H 1 UNL1111111111 0.1404 35 H 1.3982 -2.7418 0.9022 H 1 UNL1111111111 0.1486 36 H 4.1637 -1.7725 1.8295 H 1 UNL1111111111 0.1426 37 H 3.8051 -0.1311 2.3631 H 1 UNL1111111111 0.1423 38 H -0.6333 -2.7269 2.3512 H 1 UNL1111111111 0.1549 39 H -0.5827 -0.9684 2.4921 H 1 UNL1111111111 0.1614 40 H -0.9791 -1.5447 -2.3006 H 1 UNL1111111111 0.1474 41 H -1.3254 0.1891 -2.3833 H 1 UNL1111111111 0.1494 42 H 5.9852 0.3820 1.5102 H 1 UNL1111111111 0.1699 43 H 6.0282 -1.0652 0.5109 H 1 UNL1111111111 0.1723 44 H 3.5685 2.8799 -0.0894 H 1 UNL1111111111 0.1576 45 H 3.5962 1.9743 1.4326 H 1 UNL1111111111 0.1471 46 H 2.0794 2.1867 0.5584 H 1 UNL1111111111 0.1523 47 H -1.4269 1.5860 -0.5068 H 1 UNL1111111111 0.1502 48 H -0.5118 1.1863 1.0005 H 1 UNL1111111111 0.1203 49 H -3.4315 -1.1331 -2.6155 H 1 UNL1111111111 0.1716 50 H -3.4872 -0.1345 -1.1613 H 1 UNL1111111111 0.1892 51 H -2.5137 -3.2314 1.0275 H 1 UNL1111111111 0.1756 52 H -2.4675 2.2744 2.0288 H 1 UNL1111111111 0.1549 53 H -3.8437 1.1178 2.1863 H 1 UNL1111111111 0.1886 54 H -5.4824 3.4623 0.2470 H 1 UNL1111111111 0.3603 @BOND 1 1 21 1 2 1 25 1 3 2 17 2 4 3 24 2 5 4 26 1 6 4 54 1 7 5 26 2 8 6 7 1 9 6 8 1 10 6 13 1 11 6 27 1 12 7 10 1 13 7 11 1 14 7 28 1 15 8 9 1 16 8 14 1 17 8 29 1 18 9 12 1 19 9 17 1 20 9 20 1 21 10 15 1 22 10 18 1 23 10 21 1 24 11 12 1 25 11 30 1 26 11 31 1 27 12 32 1 28 12 33 1 29 13 16 1 30 13 34 1 31 13 35 1 32 14 19 1 33 14 36 1 34 14 37 1 35 15 16 1 36 15 23 2 37 16 38 1 38 16 39 1 39 17 19 1 40 18 22 1 41 18 40 1 42 18 41 1 43 19 42 1 44 19 43 1 45 20 44 1 46 20 45 1 47 20 46 1 48 21 47 1 49 21 48 1 50 22 24 1 51 22 49 1 52 22 50 1 53 23 24 1 54 23 51 1 55 25 26 1 56 25 52 1 57 25 53 1