@MOLECULE (17z)-11,20-dihydroxy-3-oxopregna-4,17-dien-21-al 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5488 2.3996 -0.6218 O.3 1 UNL1111111111 -0.5799 2 O 5.7177 -0.2990 -0.9201 O.2 1 UNL1111111111 -0.4872 3 O -6.1217 0.3288 -1.2102 O.2 1 UNL1111111111 -0.4704 4 O 4.0793 2.3533 0.4726 O.2 1 UNL1111111111 -0.4403 5 C -0.2178 -1.1934 0.3196 C.3 1 UNL1111111111 -0.1239 6 C 1.1771 -1.2570 -0.2926 C.3 1 UNL1111111111 -0.1459 7 C -0.8900 0.1220 -0.1488 C.3 1 UNL1111111111 -0.1657 8 C 2.0809 -0.1049 0.2539 C.3 1 UNL1111111111 0.0933 9 C -2.3121 0.2706 0.4733 C.3 1 UNL1111111111 0.0525 10 C 0.0153 1.3401 0.1426 C.3 1 UNL1111111111 0.1632 11 C 1.4853 1.1841 -0.3054 C.3 1 UNL1111111111 -0.3740 12 C 2.0236 -2.5169 -0.0739 C.3 1 UNL1111111111 -0.2696 13 C -1.0671 -2.3831 -0.1451 C.3 1 UNL1111111111 -0.2726 14 C 3.4476 -0.5296 -0.2344 C.2 1 UNL1111111111 -0.0635 15 C -3.1129 -0.9790 0.1601 C.2 1 UNL1111111111 0.1035 16 C 3.4496 -2.0281 -0.4267 C.3 1 UNL1111111111 -0.2841 17 C -2.4648 -2.2944 0.4717 C.3 1 UNL1111111111 -0.3024 18 C -2.9825 1.5220 -0.1443 C.3 1 UNL1111111111 -0.2725 19 C 2.1713 -0.0351 1.7859 C.3 1 UNL1111111111 -0.4577 20 C -2.2705 0.4223 2.0032 C.3 1 UNL1111111111 -0.4563 21 C -4.4988 1.5433 0.0292 C.3 1 UNL1111111111 -0.3861 22 C -4.3624 -0.9520 -0.3259 C.2 1 UNL1111111111 -0.3722 23 C 4.5389 0.2187 -0.4414 C.2 1 UNL1111111111 0.0345 24 C -5.0928 0.2985 -0.5780 C.2 1 UNL1111111111 0.4963 25 C 4.7900 1.6625 -0.2161 C.2 1 UNL1111111111 0.3592 26 H -0.1470 -1.2103 1.4315 H 1 UNL1111111111 0.1455 27 H 1.0705 -1.1164 -1.4005 H 1 UNL1111111111 0.1482 28 H -1.0218 0.0713 -1.2610 H 1 UNL1111111111 0.1638 29 H -0.0392 1.6374 1.2127 H 1 UNL1111111111 0.1199 30 H 1.5426 1.1943 -1.4100 H 1 UNL1111111111 0.1590 31 H 2.0568 2.0692 0.0367 H 1 UNL1111111111 0.1758 32 H 1.7057 -3.3546 -0.7114 H 1 UNL1111111111 0.1397 33 H 1.9651 -2.8715 0.9673 H 1 UNL1111111111 0.1435 34 H -0.5847 -3.3351 0.1430 H 1 UNL1111111111 0.1385 35 H -1.1388 -2.4001 -1.2498 H 1 UNL1111111111 0.1479 36 H 3.6970 -2.2948 -1.4714 H 1 UNL1111111111 0.1481 37 H 4.2026 -2.5147 0.2187 H 1 UNL1111111111 0.1483 38 H -2.4063 -2.4201 1.5741 H 1 UNL1111111111 0.1559 39 H -3.0829 -3.1446 0.1165 H 1 UNL1111111111 0.1529 40 H -2.7311 1.5861 -1.2238 H 1 UNL1111111111 0.1619 41 H -2.5444 2.4390 0.3007 H 1 UNL1111111111 0.1657 42 H 1.2019 0.1653 2.2509 H 1 UNL1111111111 0.1492 43 H 2.5567 -0.9667 2.2122 H 1 UNL1111111111 0.1475 44 H 2.8516 0.7758 2.0864 H 1 UNL1111111111 0.1677 45 H -3.2829 0.4133 2.4249 H 1 UNL1111111111 0.1520 46 H -1.7084 -0.3850 2.4819 H 1 UNL1111111111 0.1435 47 H -1.8075 1.3706 2.2983 H 1 UNL1111111111 0.1522 48 H -4.9315 2.4487 -0.4424 H 1 UNL1111111111 0.1715 49 H -4.7813 1.6021 1.0983 H 1 UNL1111111111 0.1641 50 H -4.9191 -1.8565 -0.5623 H 1 UNL1111111111 0.1757 51 H 0.0504 3.1681 -0.6461 H 1 UNL1111111111 0.3187 52 H 5.6927 2.0767 -0.6921 H 1 UNL1111111111 0.1380 53 H 5.6675 -1.2670 -1.0887 H 1 UNL1111111111 0.3267 @BOND 1 1 10 1 2 1 51 1 3 2 23 1 4 2 53 1 5 3 24 2 6 4 25 2 7 5 6 1 8 5 7 1 9 5 13 1 10 5 26 1 11 6 8 1 12 6 12 1 13 6 27 1 14 7 9 1 15 7 10 1 16 7 28 1 17 8 11 1 18 8 14 1 19 8 19 1 20 9 15 1 21 9 18 1 22 9 20 1 23 10 11 1 24 10 29 1 25 11 30 1 26 11 31 1 27 12 16 1 28 12 32 1 29 12 33 1 30 13 17 1 31 13 34 1 32 13 35 1 33 14 16 1 34 14 23 2 35 15 17 1 36 15 22 2 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1 41 18 21 1 42 18 40 1 43 18 41 1 44 19 42 1 45 19 43 1 46 19 44 1 47 20 45 1 48 20 46 1 49 20 47 1 50 21 24 1 51 21 48 1 52 21 49 1 53 22 24 1 54 22 50 1 55 23 25 1 56 25 52 1