@MOLECULE 1,2-propanedione, 1-((11beta,17alpha)-17-(acetyloxy)-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl)- 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5288 0.8340 -0.9732 O.3 1 UNL1111111111 -0.4487 2 O 1.0387 -2.4379 0.4565 O.3 1 UNL1111111111 -0.5759 3 O -4.1946 -0.6754 1.7170 O.2 1 UNL1111111111 -0.3822 4 O -3.4645 -2.2406 -1.0084 O.2 1 UNL1111111111 -0.4263 5 O 6.4815 0.7271 -1.9848 O.2 1 UNL1111111111 -0.4593 6 O -4.5550 1.7927 -0.8376 O.2 1 UNL1111111111 -0.5174 7 C -1.1358 -0.2773 0.5643 C.3 1 UNL1111111111 0.0831 8 C -0.2427 0.9730 0.7870 C.3 1 UNL1111111111 -0.1446 9 C 1.1792 0.5591 1.1650 C.3 1 UNL1111111111 -0.1147 10 C 1.7735 -0.2152 -0.0382 C.3 1 UNL1111111111 -0.1536 11 C -2.5367 0.4102 0.3852 C.3 1 UNL1111111111 0.1602 12 C -0.6048 -1.0193 -0.6590 C.3 1 UNL1111111111 -0.3708 13 C -1.0476 1.8268 1.7774 C.3 1 UNL1111111111 -0.2731 14 C 0.8786 -1.3952 -0.4865 C.3 1 UNL1111111111 0.1618 15 C 3.2461 -0.6401 0.2490 C.3 1 UNL1111111111 0.0281 16 C -2.5182 1.6147 1.3499 C.3 1 UNL1111111111 -0.3077 17 C 2.0279 1.8018 1.4727 C.3 1 UNL1111111111 -0.2769 18 C -1.2245 -1.2009 1.7807 C.3 1 UNL1111111111 -0.4808 19 C 3.4879 1.4120 1.7350 C.3 1 UNL1111111111 -0.2992 20 C 4.0067 0.6307 0.5689 C.2 1 UNL1111111111 0.0976 21 C -3.6921 -0.5437 0.6326 C.2 1 UNL1111111111 0.3209 22 C 3.4035 -1.6062 1.4363 C.3 1 UNL1111111111 -0.4353 23 C 3.7939 -1.3539 -0.9597 C.2 1 UNL1111111111 -0.0859 24 C 5.0565 1.0551 -0.1474 C.2 1 UNL1111111111 -0.3609 25 C 4.8371 -0.9217 -1.6728 C.2 1 UNL1111111111 -0.3035 26 C -4.1867 -1.4068 -0.5281 C.2 1 UNL1111111111 0.4228 27 C 5.5468 0.3262 -1.3267 C.2 1 UNL1111111111 0.4804 28 C -3.5506 1.5801 -1.4653 C.2 1 UNL1111111111 0.6337 29 C -5.5952 -1.1778 -0.9401 C.3 1 UNL1111111111 -0.5452 30 C -3.2160 2.0227 -2.8450 C.3 1 UNL1111111111 -0.5093 31 H -0.1913 1.5407 -0.1793 H 1 UNL1111111111 0.1490 32 H 1.1641 -0.1054 2.0602 H 1 UNL1111111111 0.1555 33 H 1.8112 0.4918 -0.9095 H 1 UNL1111111111 0.1481 34 H -1.2068 -1.9297 -0.8595 H 1 UNL1111111111 0.1758 35 H -0.7218 -0.4020 -1.5722 H 1 UNL1111111111 0.1671 36 H -0.8833 1.5010 2.8177 H 1 UNL1111111111 0.1458 37 H -0.7606 2.8878 1.7343 H 1 UNL1111111111 0.1389 38 H 1.2616 -1.8117 -1.4519 H 1 UNL1111111111 0.1191 39 H -2.9312 2.5167 0.8688 H 1 UNL1111111111 0.1609 40 H -3.1652 1.4282 2.2282 H 1 UNL1111111111 0.1733 41 H 1.9766 2.5204 0.6323 H 1 UNL1111111111 0.1451 42 H 1.6151 2.3323 2.3507 H 1 UNL1111111111 0.1420 43 H -0.2271 -1.5125 2.1240 H 1 UNL1111111111 0.1759 44 H -1.7918 -2.1123 1.5583 H 1 UNL1111111111 0.1531 45 H -1.7117 -0.7144 2.6360 H 1 UNL1111111111 0.1634 46 H 4.0944 2.3209 1.9216 H 1 UNL1111111111 0.1532 47 H 3.5673 0.8118 2.6656 H 1 UNL1111111111 0.1598 48 H 4.4480 -1.6695 1.7605 H 1 UNL1111111111 0.1469 49 H 3.0766 -2.6237 1.1747 H 1 UNL1111111111 0.1749 50 H 2.7924 -1.3039 2.2927 H 1 UNL1111111111 0.1527 51 H 3.2842 -2.2904 -1.2008 H 1 UNL1111111111 0.1602 52 H 0.2270 -2.9800 0.5174 H 1 UNL1111111111 0.3234 53 H 5.6049 1.9649 0.0900 H 1 UNL1111111111 0.1781 54 H 5.2313 -1.4581 -2.5340 H 1 UNL1111111111 0.1761 55 H -6.2873 -1.6069 -0.1926 H 1 UNL1111111111 0.1962 56 H -5.8514 -0.1068 -1.0129 H 1 UNL1111111111 0.1980 57 H -5.8251 -1.6494 -1.9071 H 1 UNL1111111111 0.1820 58 H -2.4363 1.4007 -3.3143 H 1 UNL1111111111 0.1903 59 H -4.1080 1.9979 -3.4918 H 1 UNL1111111111 0.1882 60 H -2.8442 3.0612 -2.8379 H 1 UNL1111111111 0.1899 @BOND 1 1 11 1 2 1 28 1 3 2 14 1 4 2 52 1 5 3 21 2 6 4 26 2 7 5 27 2 8 6 28 2 9 7 8 1 10 7 11 1 11 7 12 1 12 7 18 1 13 8 9 1 14 8 13 1 15 8 31 1 16 9 10 1 17 9 17 1 18 9 32 1 19 10 14 1 20 10 15 1 21 10 33 1 22 11 16 1 23 11 21 1 24 12 14 1 25 12 34 1 26 12 35 1 27 13 16 1 28 13 36 1 29 13 37 1 30 14 38 1 31 15 20 1 32 15 22 1 33 15 23 1 34 16 39 1 35 16 40 1 36 17 19 1 37 17 41 1 38 17 42 1 39 18 43 1 40 18 44 1 41 18 45 1 42 19 20 1 43 19 46 1 44 19 47 1 45 20 24 2 46 21 26 1 47 22 48 1 48 22 49 1 49 22 50 1 50 23 25 2 51 23 51 1 52 24 27 1 53 24 53 1 54 25 27 1 55 25 54 1 56 26 29 1 57 28 30 1 58 29 55 1 59 29 56 1 60 29 57 1 61 30 58 1 62 30 59 1 63 30 60 1