@MOLECULE (4alpha,17xi)-17-hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1158 -1.1434 0.4122 O.3 1 UNL1111111111 -0.3246 2 O 4.7448 0.3072 0.7519 O.3 1 UNL1111111111 -0.5417 3 O -4.7260 1.5356 -1.5890 O.2 1 UNL1111111111 -0.4405 4 C -2.7178 -1.0241 0.1448 C.3 1 UNL1111111111 0.1695 5 C -0.5942 0.2273 0.4694 C.3 1 UNL1111111111 -0.1138 6 C 0.1659 -1.0878 0.1389 C.3 1 UNL1111111111 -0.1211 7 C -1.9563 -0.1287 1.1063 C.3 1 UNL1111111111 -0.1482 8 C 1.5110 -0.6923 -0.4660 C.3 1 UNL1111111111 -0.1490 9 C 2.3644 0.0926 0.5693 C.3 1 UNL1111111111 0.0622 10 C -3.7417 -0.4372 -0.7753 C.3 1 UNL1111111111 -0.1372 11 C -2.0094 -2.2985 -0.2354 C.3 1 UNL1111111111 -0.3042 12 C -0.6483 -1.9445 -0.8434 C.3 1 UNL1111111111 -0.2750 13 C 0.2309 1.1268 1.4093 C.3 1 UNL1111111111 -0.2757 14 C 1.6454 1.4087 0.8734 C.3 1 UNL1111111111 -0.2951 15 C 3.7171 0.2075 -0.2146 C.3 1 UNL1111111111 0.2921 16 C 2.4501 -1.8067 -0.9528 C.3 1 UNL1111111111 -0.2739 17 C -2.8152 1.0960 1.4614 C.3 1 UNL1111111111 -0.2671 18 C 3.8447 -1.1442 -0.9858 C.3 1 UNL1111111111 -0.3225 19 C -3.9933 1.0431 -0.7683 C.2 1 UNL1111111111 0.4680 20 C -3.2510 1.8884 0.2309 C.3 1 UNL1111111111 -0.3734 21 C 2.6370 -0.6731 1.8675 C.3 1 UNL1111111111 -0.4432 22 C 3.7705 1.3363 -1.1147 C.1 1 UNL1111111111 -0.1359 23 C 3.8190 2.2854 -1.8639 C.1 1 UNL1111111111 -0.1852 24 H -0.7721 0.7788 -0.4836 H 1 UNL1111111111 0.1412 25 H 0.3241 -1.6693 1.0759 H 1 UNL1111111111 0.1447 26 H -1.7694 -0.7032 2.0490 H 1 UNL1111111111 0.1534 27 H 1.3102 -0.0175 -1.3386 H 1 UNL1111111111 0.1445 28 H -4.0272 -0.9379 -1.7065 H 1 UNL1111111111 0.1765 29 H -2.6132 -2.8982 -0.9444 H 1 UNL1111111111 0.1574 30 H -1.8847 -2.9440 0.6573 H 1 UNL1111111111 0.1575 31 H -0.0921 -2.8673 -1.0913 H 1 UNL1111111111 0.1426 32 H -0.7853 -1.4064 -1.8003 H 1 UNL1111111111 0.1455 33 H 0.2986 0.6629 2.4111 H 1 UNL1111111111 0.1418 34 H -0.2918 2.0914 1.5560 H 1 UNL1111111111 0.1380 35 H 1.5859 2.0402 -0.0327 H 1 UNL1111111111 0.1438 36 H 2.2219 1.9976 1.6113 H 1 UNL1111111111 0.1493 37 H 2.1566 -2.1863 -1.9426 H 1 UNL1111111111 0.1370 38 H 2.4339 -2.6703 -0.2682 H 1 UNL1111111111 0.1434 39 H -2.2717 1.7549 2.1644 H 1 UNL1111111111 0.1454 40 H -3.7155 0.7499 2.0154 H 1 UNL1111111111 0.1600 41 H 4.5997 -1.7783 -0.4918 H 1 UNL1111111111 0.1580 42 H 4.1898 -0.9872 -2.0179 H 1 UNL1111111111 0.1455 43 H -2.3727 2.3445 -0.2758 H 1 UNL1111111111 0.1746 44 H -3.8847 2.7503 0.5320 H 1 UNL1111111111 0.1756 45 H 3.1745 -1.6096 1.6803 H 1 UNL1111111111 0.1516 46 H 3.2724 -0.0771 2.5385 H 1 UNL1111111111 0.1626 47 H 1.7176 -0.9151 2.4074 H 1 UNL1111111111 0.1420 48 H 5.5933 0.5601 0.3364 H 1 UNL1111111111 0.3149 49 H 3.8592 3.0919 -2.5016 H 1 UNL1111111111 0.1888 @BOND 1 1 4 1 2 1 10 1 3 2 15 1 4 2 48 1 5 3 19 2 6 4 7 1 7 4 10 1 8 4 11 1 9 5 6 1 10 5 7 1 11 5 13 1 12 5 24 1 13 6 8 1 14 6 12 1 15 6 25 1 16 7 17 1 17 7 26 1 18 8 9 1 19 8 16 1 20 8 27 1 21 9 14 1 22 9 15 1 23 9 21 1 24 10 19 1 25 10 28 1 26 11 12 1 27 11 29 1 28 11 30 1 29 12 31 1 30 12 32 1 31 13 14 1 32 13 33 1 33 13 34 1 34 14 35 1 35 14 36 1 36 15 18 1 37 15 22 1 38 16 18 1 39 16 37 1 40 16 38 1 41 17 20 1 42 17 39 1 43 17 40 1 44 18 41 1 45 18 42 1 46 19 20 1 47 20 43 1 48 20 44 1 49 21 45 1 50 21 46 1 51 21 47 1 52 22 23 3 53 23 49 1