@MOLECULE pregna-4,16-diene-3,20-dione 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8190 1.6926 -0.3393 O.2 1 UNL1111111111 -0.4525 2 O 5.9486 0.3111 1.2353 O.2 1 UNL1111111111 -0.4672 3 C -0.0148 -1.0028 -0.3496 C.3 1 UNL1111111111 -0.1231 4 C 0.6735 0.2941 0.1598 C.3 1 UNL1111111111 -0.1286 5 C -1.4014 -1.0275 0.2771 C.3 1 UNL1111111111 -0.1443 6 C -2.2548 0.1715 -0.2596 C.3 1 UNL1111111111 0.0957 7 C 2.1184 0.4281 -0.4085 C.3 1 UNL1111111111 0.0375 8 C -0.1707 1.5537 -0.1340 C.3 1 UNL1111111111 -0.2753 9 C -1.6390 1.4419 0.3220 C.3 1 UNL1111111111 -0.2961 10 C 0.8082 -2.2217 0.0798 C.3 1 UNL1111111111 -0.2773 11 C -2.3487 -2.2364 0.0966 C.3 1 UNL1111111111 -0.2958 12 C 2.8862 -0.8528 -0.1532 C.2 1 UNL1111111111 0.1106 13 C 2.2108 -2.1375 -0.5267 C.3 1 UNL1111111111 -0.3013 14 C -3.6378 -0.2553 0.2106 C.2 1 UNL1111111111 -0.1962 15 C 2.7954 1.6219 0.3142 C.3 1 UNL1111111111 -0.2765 16 C -2.3443 0.2634 -1.7910 C.3 1 UNL1111111111 -0.4594 17 C 2.1306 0.6708 -1.9265 C.3 1 UNL1111111111 -0.4520 18 C -3.6958 -1.5926 0.3415 C.2 1 UNL1111111111 -0.0963 19 C 4.3122 1.6410 0.1402 C.3 1 UNL1111111111 -0.3827 20 C 4.1372 -0.8739 0.3296 C.2 1 UNL1111111111 -0.3770 21 C -4.7162 0.7255 0.3779 C.2 1 UNL1111111111 0.4967 22 C 4.8986 0.3430 0.6385 C.2 1 UNL1111111111 0.4939 23 C -5.6824 0.4841 1.5027 C.3 1 UNL1111111111 -0.5454 24 H -0.0904 -0.9847 -1.4595 H 1 UNL1111111111 0.1459 25 H 0.7654 0.2013 1.2720 H 1 UNL1111111111 0.1411 26 H -1.2761 -0.8923 1.3840 H 1 UNL1111111111 0.1437 27 H -0.1464 1.7770 -1.2175 H 1 UNL1111111111 0.1446 28 H 0.2856 2.4297 0.3649 H 1 UNL1111111111 0.1384 29 H -1.7018 1.4378 1.4244 H 1 UNL1111111111 0.1397 30 H -2.2076 2.3330 -0.0098 H 1 UNL1111111111 0.1588 31 H 0.3080 -3.1533 -0.2430 H 1 UNL1111111111 0.1399 32 H 0.8723 -2.2793 1.1831 H 1 UNL1111111111 0.1463 33 H -2.1293 -3.0525 0.8002 H 1 UNL1111111111 0.1472 34 H -2.2860 -2.6655 -0.9182 H 1 UNL1111111111 0.1566 35 H 2.1542 -2.2107 -1.6345 H 1 UNL1111111111 0.1582 36 H 2.8086 -3.0164 -0.2083 H 1 UNL1111111111 0.1540 37 H 2.5548 1.5835 1.3961 H 1 UNL1111111111 0.1479 38 H 2.3688 2.5731 -0.0570 H 1 UNL1111111111 0.1468 39 H -2.6594 -0.6851 -2.2362 H 1 UNL1111111111 0.1442 40 H -3.0857 1.0255 -2.0764 H 1 UNL1111111111 0.1695 41 H -1.3922 0.5456 -2.2489 H 1 UNL1111111111 0.1476 42 H 1.5171 -0.0632 -2.4591 H 1 UNL1111111111 0.1484 43 H 1.7457 1.6651 -2.1788 H 1 UNL1111111111 0.1515 44 H 3.1478 0.6044 -2.3305 H 1 UNL1111111111 0.1515 45 H -4.5493 -2.1960 0.5891 H 1 UNL1111111111 0.1472 46 H 4.7593 2.4993 0.6811 H 1 UNL1111111111 0.1710 47 H 4.5934 1.7837 -0.9223 H 1 UNL1111111111 0.1680 48 H 4.6762 -1.8027 0.5214 H 1 UNL1111111111 0.1783 49 H -5.1605 0.3573 2.4599 H 1 UNL1111111111 0.1732 50 H -6.2784 -0.4205 1.3265 H 1 UNL1111111111 0.1723 51 H -6.3837 1.3248 1.6129 H 1 UNL1111111111 0.1805 @BOND 1 1 21 2 2 2 22 2 3 3 4 1 4 3 5 1 5 3 10 1 6 3 24 1 7 4 7 1 8 4 8 1 9 4 25 1 10 5 6 1 11 5 11 1 12 5 26 1 13 6 9 1 14 6 14 1 15 6 16 1 16 7 12 1 17 7 15 1 18 7 17 1 19 8 9 1 20 8 27 1 21 8 28 1 22 9 29 1 23 9 30 1 24 10 13 1 25 10 31 1 26 10 32 1 27 11 18 1 28 11 33 1 29 11 34 1 30 12 13 1 31 12 20 2 32 13 35 1 33 13 36 1 34 14 18 2 35 14 21 1 36 15 19 1 37 15 37 1 38 15 38 1 39 16 39 1 40 16 40 1 41 16 41 1 42 17 42 1 43 17 43 1 44 17 44 1 45 18 45 1 46 19 22 1 47 19 46 1 48 19 47 1 49 20 22 1 50 20 48 1 51 21 23 1 52 23 49 1 53 23 50 1 54 23 51 1