@MOLECULE corticosterone, 21-acetate 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7087 -1.9612 0.8348 O.3 1 UNL111111111 -0.5660 2 O -4.2697 0.9697 0.6832 O.2 1 UNL111111111 -0.4224 3 O -5.0481 -1.4418 -0.0784 O.3 1 UNL111111111 -0.4030 4 O 7.0983 -0.8152 -1.0303 O.2 1 UNL111111111 -0.4676 5 O -6.7560 -0.2777 -0.9699 O.2 1 UNL111111111 -0.5014 6 C -1.1160 0.4290 -0.1281 C.3 1 UNL111111111 0.0948 7 C -0.0569 1.5377 -0.3779 C.3 1 UNL111111111 -0.1453 8 C 1.2630 1.2020 0.3138 C.3 1 UNL111111111 -0.1219 9 C 1.8194 -0.0918 -0.3241 C.3 1 UNL111111111 -0.2041 10 C 3.1707 -0.5100 0.3277 C.3 1 UNL111111111 0.0592 11 C -0.6246 -0.8392 -0.8272 C.3 1 UNL111111111 -0.3704 12 C -2.3771 1.0874 -0.7720 C.3 1 UNL111111111 -0.2528 13 C 0.7950 -1.2528 -0.3743 C.3 1 UNL111111111 0.1642 14 C -0.7821 2.8285 0.0254 C.3 1 UNL111111111 -0.2776 15 C 2.2742 2.3386 0.1036 C.3 1 UNL111111111 -0.2761 16 C -2.2440 2.5924 -0.4217 C.3 1 UNL111111111 -0.2560 17 C -1.4012 0.1714 1.3550 C.3 1 UNL111111111 -0.4689 18 C 4.1302 0.6638 0.2617 C.2 1 UNL111111111 0.1048 19 C 3.6134 1.9819 0.7511 C.3 1 UNL111111111 -0.3015 20 C 3.7253 -1.7169 -0.4715 C.3 1 UNL111111111 -0.2806 21 C 3.0488 -0.8931 1.8117 C.3 1 UNL111111111 -0.4530 22 C -3.6552 0.4928 -0.2339 C.2 1 UNL111111111 0.4329 23 C 5.2037 -1.9753 -0.1937 C.3 1 UNL111111111 -0.3795 24 C 5.4056 0.5454 -0.1351 C.2 1 UNL111111111 -0.3751 25 C 6.0077 -0.7395 -0.5161 C.2 1 UNL111111111 0.4929 26 C -4.1360 -0.7713 -0.9278 C.3 1 UNL111111111 -0.1419 27 C -6.3478 -1.0157 -0.1141 C.2 1 UNL111111111 0.6363 28 C -7.0990 -1.6450 1.0051 C.3 1 UNL111111111 -0.5095 29 H 0.1402 1.5945 -1.4799 H 1 UNL111111111 0.1413 30 H 1.1033 1.0571 1.4053 H 1 UNL111111111 0.1427 31 H 2.0485 0.1547 -1.3965 H 1 UNL111111111 0.1493 32 H -0.6278 -0.7020 -1.9238 H 1 UNL111111111 0.1483 33 H -1.3042 -1.6903 -0.6204 H 1 UNL111111111 0.1614 34 H -2.3412 0.9631 -1.8770 H 1 UNL111111111 0.1543 35 H 1.1739 -2.0531 -1.0603 H 1 UNL111111111 0.1370 36 H -0.3469 3.7161 -0.4560 H 1 UNL111111111 0.1359 37 H -0.7213 3.0019 1.1120 H 1 UNL111111111 0.1426 38 H 1.8841 3.2802 0.5337 H 1 UNL111111111 0.1436 39 H 2.4149 2.5362 -0.9763 H 1 UNL111111111 0.1456 40 H -2.9473 2.8774 0.3829 H 1 UNL111111111 0.1638 41 H -2.5036 3.2179 -1.2889 H 1 UNL111111111 0.1376 42 H -0.4889 0.0085 1.9394 H 1 UNL111111111 0.1382 43 H -1.9185 1.0249 1.8192 H 1 UNL111111111 0.1721 44 H -2.0485 -0.7043 1.4941 H 1 UNL111111111 0.1577 45 H 3.5020 1.9358 1.8570 H 1 UNL111111111 0.1602 46 H 4.3444 2.7966 0.5675 H 1 UNL111111111 0.1551 47 H 3.5838 -1.5473 -1.5567 H 1 UNL111111111 0.1416 48 H 3.1352 -2.6225 -0.2220 H 1 UNL111111111 0.1597 49 H 4.0284 -0.8888 2.3048 H 1 UNL111111111 0.1495 50 H 2.3978 -0.2089 2.3619 H 1 UNL111111111 0.1403 51 H 2.6388 -1.9068 1.9284 H 1 UNL111111111 0.1729 52 H 5.5701 -2.8398 -0.7830 H 1 UNL111111111 0.1709 53 H 5.3692 -2.2511 0.8675 H 1 UNL111111111 0.1702 54 H 0.3803 -1.3918 1.5622 H 1 UNL111111111 0.3209 55 H 6.0843 1.3958 -0.1879 H 1 UNL111111111 0.1778 56 H -3.3283 -1.5154 -1.0632 H 1 UNL111111111 0.1647 57 H -4.5950 -0.5363 -1.9091 H 1 UNL111111111 0.1717 58 H -7.9814 -2.1868 0.6312 H 1 UNL111111111 0.1842 59 H -7.4599 -0.8670 1.7004 H 1 UNL111111111 0.1926 60 H -6.4857 -2.3486 1.5899 H 1 UNL111111111 0.1858 @BOND 1 1 13 1 2 1 54 1 3 2 22 2 4 3 26 1 5 3 27 1 6 4 25 2 7 5 27 2 8 6 7 1 9 6 11 1 10 6 12 1 11 6 17 1 12 7 8 1 13 7 14 1 14 7 29 1 15 8 9 1 16 8 15 1 17 8 30 1 18 9 10 1 19 9 13 1 20 9 31 1 21 10 18 1 22 10 20 1 23 10 21 1 24 11 13 1 25 11 32 1 26 11 33 1 27 12 16 1 28 12 22 1 29 12 34 1 30 13 35 1 31 14 16 1 32 14 36 1 33 14 37 1 34 15 19 1 35 15 38 1 36 15 39 1 37 16 40 1 38 16 41 1 39 17 42 1 40 17 43 1 41 17 44 1 42 18 19 1 43 18 24 2 44 19 45 1 45 19 46 1 46 20 23 1 47 20 47 1 48 20 48 1 49 21 49 1 50 21 50 1 51 21 51 1 52 22 26 1 53 23 25 1 54 23 52 1 55 23 53 1 56 24 25 1 57 24 55 1 58 26 56 1 59 26 57 1 60 27 28 1 61 28 58 1 62 28 59 1 63 28 60 1