@MOLECULE (8a,9b,10a,13a,14b)-13-ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5600 -0.6074 -0.3138 O.3 1 UNL1111111111 -0.5376 2 O 6.1223 -0.1751 0.9299 O.2 1 UNL1111111111 -0.4665 3 C -2.1653 -0.3207 -0.2268 C.3 1 UNL1111111111 0.0447 4 C -1.3436 0.9642 0.1085 C.3 1 UNL1111111111 -0.1544 5 C 0.0596 0.9031 -0.4910 C.3 1 UNL1111111111 -0.1234 6 C 0.7891 -0.3058 0.1463 C.3 1 UNL1111111111 -0.1136 7 C -3.5507 0.0968 0.3810 C.3 1 UNL1111111111 0.2934 8 C -1.4554 -1.4899 0.4566 C.3 1 UNL1111111111 -0.2903 9 C -2.2669 2.1167 -0.3115 C.3 1 UNL1111111111 -0.2748 10 C -0.0141 -1.6037 -0.0695 C.3 1 UNL1111111111 -0.2807 11 C 2.2165 -0.4399 -0.4417 C.3 1 UNL1111111111 -0.1518 12 C -3.6778 1.6249 0.0740 C.3 1 UNL1111111111 -0.3240 13 C 0.8463 2.1833 -0.1821 C.3 1 UNL1111111111 -0.2719 14 C -2.3289 -0.5460 -1.7447 C.3 1 UNL1111111111 -0.2507 15 C 2.2442 2.0918 -0.7995 C.3 1 UNL1111111111 -0.3059 16 C 2.9687 0.8615 -0.3470 C.2 1 UNL1111111111 0.1221 17 C 2.9597 -1.5798 0.2858 C.3 1 UNL1111111111 -0.2633 18 C -2.8187 -1.9447 -2.1235 C.3 1 UNL1111111111 -0.4330 19 C -3.6589 -0.1612 1.7996 C.1 1 UNL1111111111 -0.1351 20 C 4.4553 -1.5757 -0.0200 C.3 1 UNL1111111111 -0.3861 21 C 4.2499 0.9394 0.0437 C.2 1 UNL1111111111 -0.3806 22 C 5.0466 -0.2457 0.3853 C.2 1 UNL1111111111 0.4959 23 C -3.7589 -0.3785 2.9859 C.1 1 UNL1111111111 -0.1863 24 H -1.2301 1.0165 1.2234 H 1 UNL1111111111 0.1464 25 H 0.0021 0.7684 -1.5957 H 1 UNL1111111111 0.1424 26 H 0.8764 -0.1220 1.2445 H 1 UNL1111111111 0.1439 27 H -2.0042 -2.4346 0.2865 H 1 UNL1111111111 0.1526 28 H -1.4442 -1.3524 1.5547 H 1 UNL1111111111 0.1435 29 H -2.1928 2.3173 -1.3925 H 1 UNL1111111111 0.1426 30 H -2.0088 3.0566 0.1993 H 1 UNL1111111111 0.1386 31 H 0.4837 -2.4479 0.4434 H 1 UNL1111111111 0.1379 32 H -0.0278 -1.8636 -1.1444 H 1 UNL1111111111 0.1443 33 H 2.1348 -0.6992 -1.5286 H 1 UNL1111111111 0.1547 34 H -4.0731 2.1765 0.9390 H 1 UNL1111111111 0.1461 35 H -4.3932 1.7746 -0.7515 H 1 UNL1111111111 0.1574 36 H 0.9211 2.3371 0.9111 H 1 UNL1111111111 0.1467 37 H 0.3135 3.0673 -0.5770 H 1 UNL1111111111 0.1407 38 H -1.3672 -0.3501 -2.2569 H 1 UNL1111111111 0.1314 39 H -3.0409 0.2024 -2.1483 H 1 UNL1111111111 0.1460 40 H 2.8184 3.0109 -0.5588 H 1 UNL1111111111 0.1545 41 H 2.1703 2.0787 -1.9093 H 1 UNL1111111111 0.1575 42 H 2.5251 -2.5563 -0.0018 H 1 UNL1111111111 0.1441 43 H 2.8054 -1.4884 1.3802 H 1 UNL1111111111 0.1501 44 H -2.0536 -2.7080 -1.9536 H 1 UNL1111111111 0.1349 45 H -3.7073 -2.2279 -1.5428 H 1 UNL1111111111 0.1652 46 H -3.0999 -1.9844 -3.1813 H 1 UNL1111111111 0.1359 47 H -5.4260 -0.5025 0.1306 H 1 UNL1111111111 0.3127 48 H 4.6463 -1.7466 -1.0977 H 1 UNL1111111111 0.1665 49 H 4.9695 -2.4033 0.5084 H 1 UNL1111111111 0.1712 50 H 4.7836 1.8844 0.1234 H 1 UNL1111111111 0.1781 51 H -3.8436 -0.5626 3.9947 H 1 UNL1111111111 0.1885 @BOND 1 1 7 1 2 1 47 1 3 2 22 2 4 3 4 1 5 3 7 1 6 3 8 1 7 3 14 1 8 4 5 1 9 4 9 1 10 4 24 1 11 5 6 1 12 5 13 1 13 5 25 1 14 6 10 1 15 6 11 1 16 6 26 1 17 7 12 1 18 7 19 1 19 8 10 1 20 8 27 1 21 8 28 1 22 9 12 1 23 9 29 1 24 9 30 1 25 10 31 1 26 10 32 1 27 11 16 1 28 11 17 1 29 11 33 1 30 12 34 1 31 12 35 1 32 13 15 1 33 13 36 1 34 13 37 1 35 14 18 1 36 14 38 1 37 14 39 1 38 15 16 1 39 15 40 1 40 15 41 1 41 16 21 2 42 17 20 1 43 17 42 1 44 17 43 1 45 18 44 1 46 18 45 1 47 18 46 1 48 19 23 3 49 20 22 1 50 20 48 1 51 20 49 1 52 21 22 1 53 21 50 1 54 23 51 1