@MOLECULE 17-(hydroxymethyl)pregn-4-ene-3,20-dione 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.5893 0.5282 2.2858 O.3 1 UNL1111111111 -0.5432 2 O 5.2188 -0.0973 -1.0954 O.2 1 UNL1111111111 -0.4638 3 O -6.4669 -0.1082 1.0717 O.2 1 UNL1111111111 -0.4662 4 C 1.8551 -0.2976 -0.2492 C.3 1 UNL1111111111 0.0811 5 C 1.0321 0.9753 0.1042 C.3 1 UNL1111111111 -0.1389 6 C -0.3843 0.9082 -0.4669 C.3 1 UNL1111111111 -0.1235 7 C -1.0973 -0.3131 0.1642 C.3 1 UNL1111111111 -0.1306 8 C 3.2756 0.1040 0.2656 C.3 1 UNL1111111111 -0.1454 9 C 1.1651 -1.4837 0.4369 C.3 1 UNL1111111111 -0.2990 10 C 1.9345 2.1272 -0.3554 C.3 1 UNL1111111111 -0.2804 11 C -2.5588 -0.4542 -0.3557 C.3 1 UNL1111111111 0.0341 12 C -0.2869 -1.6056 -0.0598 C.3 1 UNL1111111111 -0.2754 13 C 3.3642 1.6242 -0.0590 C.3 1 UNL1111111111 -0.2699 14 C -1.1653 2.1818 -0.1165 C.3 1 UNL1111111111 -0.2763 15 C 1.9488 -0.5518 -1.7613 C.3 1 UNL1111111111 -0.4700 16 C -3.2930 0.8654 -0.2249 C.2 1 UNL1111111111 0.1118 17 C -2.5794 2.0958 -0.6939 C.3 1 UNL1111111111 -0.3035 18 C 3.4348 -0.1067 1.7814 C.3 1 UNL1111111111 -0.0116 19 C -3.2562 -1.5393 0.5041 C.3 1 UNL1111111111 -0.2780 20 C 4.3894 -0.6672 -0.4297 C.2 1 UNL1111111111 0.4788 21 C -2.6108 -0.8521 -1.8396 C.3 1 UNL1111111111 -0.4528 22 C -4.7680 -1.5701 0.2996 C.3 1 UNL1111111111 -0.3818 23 C -4.5578 0.9543 0.2145 C.2 1 UNL1111111111 -0.3756 24 C 4.4875 -2.1521 -0.2264 C.3 1 UNL1111111111 -0.5545 25 C -5.3647 -0.2140 0.5884 C.2 1 UNL1111111111 0.4934 26 H 0.9416 1.0388 1.2195 H 1 UNL1111111111 0.1407 27 H -0.3457 0.7973 -1.5731 H 1 UNL1111111111 0.1427 28 H -1.1543 -0.1325 1.2671 H 1 UNL1111111111 0.1424 29 H 1.1668 -1.3607 1.5354 H 1 UNL1111111111 0.1416 30 H 1.7016 -2.4281 0.2345 H 1 UNL1111111111 0.1366 31 H 1.7155 3.0629 0.1803 H 1 UNL1111111111 0.1387 32 H 1.8002 2.3433 -1.4274 H 1 UNL1111111111 0.1408 33 H -0.2899 -1.8755 -1.1320 H 1 UNL1111111111 0.1442 34 H -0.7730 -2.4495 0.4645 H 1 UNL1111111111 0.1364 35 H 4.0293 1.8100 -0.9219 H 1 UNL1111111111 0.1638 36 H 3.8116 2.1786 0.7850 H 1 UNL1111111111 0.1598 37 H -0.6451 3.0726 -0.5163 H 1 UNL1111111111 0.1442 38 H -1.2078 2.3233 0.9802 H 1 UNL1111111111 0.1469 39 H 2.5261 0.2331 -2.2677 H 1 UNL1111111111 0.1621 40 H 2.4306 -1.5100 -1.9817 H 1 UNL1111111111 0.1461 41 H 0.9620 -0.5730 -2.2362 H 1 UNL1111111111 0.1525 42 H -2.5375 2.0861 -1.8053 H 1 UNL1111111111 0.1592 43 H -3.1448 3.0146 -0.4329 H 1 UNL1111111111 0.1563 44 H 3.4843 -1.1748 2.0579 H 1 UNL1111111111 0.1191 45 H 2.6220 0.3836 2.3530 H 1 UNL1111111111 0.1512 46 H -3.0359 -1.3591 1.5759 H 1 UNL1111111111 0.1474 47 H -2.8314 -2.5338 0.2710 H 1 UNL1111111111 0.1437 48 H -1.9798 -0.2009 -2.4543 H 1 UNL1111111111 0.1487 49 H -2.2713 -1.8818 -1.9931 H 1 UNL1111111111 0.1492 50 H -3.6325 -0.7855 -2.2335 H 1 UNL1111111111 0.1544 51 H -5.2366 -2.3390 0.9465 H 1 UNL1111111111 0.1716 52 H -5.0273 -1.8636 -0.7377 H 1 UNL1111111111 0.1689 53 H -5.0765 1.9084 0.3093 H 1 UNL1111111111 0.1795 54 H 5.1278 -2.3808 0.6386 H 1 UNL1111111111 0.1807 55 H 3.5180 -2.6346 -0.0627 H 1 UNL1111111111 0.1691 56 H 4.9603 -2.6349 -1.0970 H 1 UNL1111111111 0.1840 57 H 5.3595 0.4017 1.6953 H 1 UNL1111111111 0.3186 @BOND 1 1 18 1 2 1 57 1 3 2 20 2 4 3 25 2 5 4 5 1 6 4 8 1 7 4 9 1 8 4 15 1 9 5 6 1 10 5 10 1 11 5 26 1 12 6 7 1 13 6 14 1 14 6 27 1 15 7 11 1 16 7 12 1 17 7 28 1 18 8 13 1 19 8 18 1 20 8 20 1 21 9 12 1 22 9 29 1 23 9 30 1 24 10 13 1 25 10 31 1 26 10 32 1 27 11 16 1 28 11 19 1 29 11 21 1 30 12 33 1 31 12 34 1 32 13 35 1 33 13 36 1 34 14 17 1 35 14 37 1 36 14 38 1 37 15 39 1 38 15 40 1 39 15 41 1 40 16 17 1 41 16 23 2 42 17 42 1 43 17 43 1 44 18 44 1 45 18 45 1 46 19 22 1 47 19 46 1 48 19 47 1 49 20 24 1 50 21 48 1 51 21 49 1 52 21 50 1 53 22 25 1 54 22 51 1 55 22 52 1 56 23 25 1 57 23 53 1 58 24 54 1 59 24 55 1 60 24 56 1