@MOLECULE 14beta-hydroxyprogesterone 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0842 -1.6190 0.8142 O.3 1 UNL1111111111 -0.6037 2 O 4.6769 -1.0438 0.3762 O.2 1 UNL1111111111 -0.4838 3 O -6.1270 -0.2226 -1.0263 O.2 1 UNL1111111111 -0.4714 4 C 1.4675 -0.6575 -0.0078 C.3 1 UNL1111111111 0.2969 5 C 2.1984 0.7200 0.1179 C.3 1 UNL1111111111 0.0306 6 C 0.0128 -0.6528 0.5022 C.3 1 UNL1111111111 -0.1498 7 C -0.8065 0.4994 -0.0986 C.3 1 UNL1111111111 -0.1288 8 C 3.4177 0.5810 -0.8433 C.3 1 UNL1111111111 -0.2624 9 C -2.2768 0.4988 0.4199 C.3 1 UNL1111111111 0.0408 10 C 1.2972 1.8476 -0.4253 C.3 1 UNL1111111111 -0.2913 11 C 1.6698 -1.0700 -1.4837 C.3 1 UNL1111111111 -0.3346 12 C -0.0978 1.8298 0.2051 C.3 1 UNL1111111111 -0.2810 13 C 2.9856 -0.4202 -1.9401 C.3 1 UNL1111111111 -0.2594 14 C -0.6539 -1.9967 0.1864 C.3 1 UNL1111111111 -0.2641 15 C 2.6118 1.0184 1.5535 C.3 1 UNL1111111111 -0.4689 16 C -2.8847 -0.8836 0.3013 C.2 1 UNL1111111111 0.1197 17 C -2.0595 -2.0333 0.7879 C.3 1 UNL1111111111 -0.3033 18 C -3.0701 1.5086 -0.4482 C.3 1 UNL1111111111 -0.2776 19 C -2.3660 0.8994 1.9015 C.3 1 UNL1111111111 -0.4529 20 C 4.6479 0.0528 -0.1356 C.2 1 UNL1111111111 0.5100 21 C -4.5796 1.3974 -0.2536 C.3 1 UNL1111111111 -0.3851 22 C -4.1327 -1.0947 -0.1458 C.2 1 UNL1111111111 -0.3830 23 C -5.0424 -0.0121 -0.5353 C.2 1 UNL1111111111 0.4936 24 C 5.8558 0.9387 -0.1164 C.3 1 UNL1111111111 -0.5522 25 H 0.0652 -0.5313 1.6147 H 1 UNL1111111111 0.1601 26 H -0.8438 0.3602 -1.2080 H 1 UNL1111111111 0.1417 27 H 3.6476 1.5695 -1.2975 H 1 UNL1111111111 0.1539 28 H 1.2021 1.7551 -1.5251 H 1 UNL1111111111 0.1439 29 H 1.7766 2.8272 -0.2424 H 1 UNL1111111111 0.1374 30 H 0.8234 -0.7404 -2.1058 H 1 UNL1111111111 0.1467 31 H 1.7112 -2.1704 -1.5645 H 1 UNL1111111111 0.1624 32 H -0.0225 1.9855 1.2977 H 1 UNL1111111111 0.1455 33 H -0.6859 2.6821 -0.1816 H 1 UNL1111111111 0.1371 34 H 3.7601 -1.1899 -2.1085 H 1 UNL1111111111 0.1488 35 H 2.8557 0.0952 -2.9060 H 1 UNL1111111111 0.1379 36 H -0.0346 -2.8223 0.5957 H 1 UNL1111111111 0.1662 37 H -0.7034 -2.1663 -0.9046 H 1 UNL1111111111 0.1409 38 H 3.2389 1.9116 1.6228 H 1 UNL1111111111 0.1398 39 H 1.7327 1.1784 2.1916 H 1 UNL1111111111 0.1581 40 H 3.1572 0.1785 2.0096 H 1 UNL1111111111 0.1711 41 H -1.9998 -1.9959 1.8980 H 1 UNL1111111111 0.1610 42 H -2.5410 -3.0067 0.5570 H 1 UNL1111111111 0.1545 43 H -2.8288 1.3449 -1.5177 H 1 UNL1111111111 0.1465 44 H -2.7414 2.5395 -0.2193 H 1 UNL1111111111 0.1425 45 H 3.0601 -1.6302 0.6768 H 1 UNL1111111111 0.3571 46 H -2.1310 1.9585 2.0479 H 1 UNL1111111111 0.1478 47 H -3.3751 0.7334 2.2976 H 1 UNL1111111111 0.1519 48 H -1.6718 0.3175 2.5187 H 1 UNL1111111111 0.1527 49 H -5.1143 2.1129 -0.9108 H 1 UNL1111111111 0.1701 50 H -4.8739 1.6725 0.7791 H 1 UNL1111111111 0.1683 51 H -4.5585 -2.0939 -0.2342 H 1 UNL1111111111 0.1790 52 H 6.2206 1.1445 -1.1316 H 1 UNL1111111111 0.1765 53 H 5.6395 1.9037 0.3615 H 1 UNL1111111111 0.1759 54 H 6.6857 0.4748 0.4407 H 1 UNL1111111111 0.1859 @BOND 1 1 4 1 2 1 45 1 3 2 20 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 11 1 8 5 8 1 9 5 10 1 10 5 15 1 11 6 7 1 12 6 14 1 13 6 25 1 14 7 9 1 15 7 12 1 16 7 26 1 17 8 13 1 18 8 20 1 19 8 27 1 20 9 16 1 21 9 18 1 22 9 19 1 23 10 12 1 24 10 28 1 25 10 29 1 26 11 13 1 27 11 30 1 28 11 31 1 29 12 32 1 30 12 33 1 31 13 34 1 32 13 35 1 33 14 17 1 34 14 36 1 35 14 37 1 36 15 38 1 37 15 39 1 38 15 40 1 39 16 17 1 40 16 22 2 41 17 41 1 42 17 42 1 43 18 21 1 44 18 43 1 45 18 44 1 46 19 46 1 47 19 47 1 48 19 48 1 49 20 24 1 50 21 23 1 51 21 49 1 52 21 50 1 53 22 23 1 54 22 51 1 55 24 52 1 56 24 53 1 57 24 54 1