@MOLECULE 19-hydroxypregn-4-ene-3,20-dione 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2672 0.7173 2.2886 O.3 1 UNL1111111111 -0.5453 2 O 5.6990 0.1453 0.6144 O.2 1 UNL1111111111 -0.4651 3 O -5.8576 0.0683 -1.3522 O.2 1 UNL1111111111 -0.4598 4 C 1.5580 -1.0290 -0.4377 C.3 1 UNL1111111111 -0.1399 5 C 2.4066 0.2268 -0.0851 C.3 1 UNL1111111111 0.0904 6 C 0.1776 -0.9710 0.2168 C.3 1 UNL1111111111 -0.1251 7 C -0.5577 0.2656 -0.3613 C.3 1 UNL1111111111 -0.1296 8 C -2.0047 0.4002 0.1999 C.3 1 UNL1111111111 -0.0412 9 C 3.7643 -0.1624 -0.7426 C.3 1 UNL1111111111 -0.2577 10 C 1.6963 1.4398 -0.6983 C.3 1 UNL1111111111 -0.2990 11 C 0.2655 1.5491 -0.1387 C.3 1 UNL1111111111 -0.2772 12 C 2.4861 -2.2013 -0.0911 C.3 1 UNL1111111111 -0.2804 13 C -0.6201 -2.2384 -0.1097 C.3 1 UNL1111111111 -0.2757 14 C 3.8936 -1.6850 -0.4736 C.3 1 UNL1111111111 -0.2616 15 C -2.7344 -0.9141 0.0445 C.2 1 UNL1111111111 0.0912 16 C 2.6130 0.4359 1.4186 C.3 1 UNL1111111111 -0.4645 17 C -2.0190 -2.1489 0.5026 C.3 1 UNL1111111111 -0.3033 18 C -2.7123 1.5213 -0.6004 C.3 1 UNL1111111111 -0.2623 19 C -1.9848 0.7582 1.7058 C.3 1 UNL1111111111 -0.0067 20 C 4.9306 0.6181 -0.1858 C.2 1 UNL1111111111 0.4945 21 C -4.2273 1.5189 -0.4168 C.3 1 UNL1111111111 -0.3856 22 C -3.9903 -1.0008 -0.4160 C.2 1 UNL1111111111 -0.3620 23 C -4.7915 0.1757 -0.7945 C.2 1 UNL1111111111 0.4892 24 C 5.1229 2.0185 -0.6957 C.3 1 UNL1111111111 -0.5552 25 H 1.4043 -1.0436 -1.5479 H 1 UNL1111111111 0.1390 26 H 0.2824 -0.8749 1.3200 H 1 UNL1111111111 0.1434 27 H -0.6529 0.1069 -1.4664 H 1 UNL1111111111 0.1464 28 H 3.7070 0.0122 -1.8410 H 1 UNL1111111111 0.1540 29 H 1.6647 1.3547 -1.7997 H 1 UNL1111111111 0.1388 30 H 2.2501 2.3703 -0.4783 H 1 UNL1111111111 0.1402 31 H 0.3141 1.7918 0.9390 H 1 UNL1111111111 0.1430 32 H -0.2387 2.4083 -0.6203 H 1 UNL1111111111 0.1395 33 H 2.2237 -3.1148 -0.6435 H 1 UNL1111111111 0.1353 34 H 2.4327 -2.4560 0.9794 H 1 UNL1111111111 0.1426 35 H -0.0923 -3.1311 0.2755 H 1 UNL1111111111 0.1450 36 H -0.6918 -2.3801 -1.2053 H 1 UNL1111111111 0.1471 37 H 4.6159 -1.8824 0.3406 H 1 UNL1111111111 0.1654 38 H 4.2842 -2.2046 -1.3609 H 1 UNL1111111111 0.1359 39 H 3.2028 -0.3795 1.8590 H 1 UNL1111111111 0.1631 40 H 3.1534 1.3675 1.6214 H 1 UNL1111111111 0.1468 41 H 1.6665 0.4817 1.9656 H 1 UNL1111111111 0.1487 42 H -1.9488 -2.1458 1.6120 H 1 UNL1111111111 0.1569 43 H -2.5936 -3.0651 0.2514 H 1 UNL1111111111 0.1571 44 H -2.4764 1.4109 -1.6786 H 1 UNL1111111111 0.1449 45 H -2.3097 2.5083 -0.3009 H 1 UNL1111111111 0.1457 46 H -1.6809 1.8088 1.8756 H 1 UNL1111111111 0.1458 47 H -1.3194 0.0859 2.2766 H 1 UNL1111111111 0.1191 48 H -4.7001 2.3231 -1.0150 H 1 UNL1111111111 0.1706 49 H -4.4969 1.7442 0.6408 H 1 UNL1111111111 0.1942 50 H -4.5048 -1.9531 -0.5422 H 1 UNL1111111111 0.1794 51 H 6.0406 2.0772 -1.3013 H 1 UNL1111111111 0.1825 52 H 4.2924 2.3805 -1.3087 H 1 UNL1111111111 0.1629 53 H 5.2622 2.7202 0.1405 H 1 UNL1111111111 0.1810 54 H -3.7069 -0.1434 2.1268 H 1 UNL1111111111 0.3172 @BOND 1 1 19 1 2 1 54 1 3 2 20 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 12 1 8 4 25 1 9 5 9 1 10 5 10 1 11 5 16 1 12 6 7 1 13 6 13 1 14 6 26 1 15 7 8 1 16 7 11 1 17 7 27 1 18 8 15 1 19 8 18 1 20 8 19 1 21 9 14 1 22 9 20 1 23 9 28 1 24 10 11 1 25 10 29 1 26 10 30 1 27 11 31 1 28 11 32 1 29 12 14 1 30 12 33 1 31 12 34 1 32 13 17 1 33 13 35 1 34 13 36 1 35 14 37 1 36 14 38 1 37 15 17 1 38 15 22 2 39 16 39 1 40 16 40 1 41 16 41 1 42 17 42 1 43 17 43 1 44 18 21 1 45 18 44 1 46 18 45 1 47 19 46 1 48 19 47 1 49 20 24 1 50 21 23 1 51 21 48 1 52 21 49 1 53 22 23 1 54 22 50 1 55 24 51 1 56 24 52 1 57 24 53 1