@MOLECULE 4-{[(17alpha)-3-hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-17-yl]oxy}-4-oxobutanoic acid 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6117 0.0129 -0.0364 O.3 1 UNL1111111111 -0.4396 2 O 4.2297 -1.5378 -0.3063 O.2 1 UNL1111111111 -0.5002 3 O -7.9650 1.6834 0.3313 O.3 1 UNL1111111111 -0.4754 4 O 8.4482 1.1163 0.3383 O.3 1 UNL1111111111 -0.5637 5 O 6.8541 2.5355 0.9797 O.2 1 UNL1111111111 -0.5093 6 C 0.2319 -0.1411 -0.1164 C.3 1 UNL1111111111 0.0597 7 C -0.7203 -1.3503 0.1106 C.3 1 UNL1111111111 -0.1481 8 C -2.0997 -0.8572 0.5350 C.3 1 UNL1111111111 -0.1128 9 C 1.5737 -0.9141 -0.3729 C.3 1 UNL1111111111 0.2839 10 C -2.6834 -0.0363 -0.6469 C.3 1 UNL1111111111 -0.1094 11 C -0.3093 0.6830 -1.2854 C.3 1 UNL1111111111 -0.2939 12 C 0.0641 -2.2677 1.0622 C.3 1 UNL1111111111 -0.2760 13 C 1.5355 -2.1104 0.6189 C.3 1 UNL1111111111 -0.3103 14 C -1.7478 1.1434 -0.9886 C.3 1 UNL1111111111 -0.2711 15 C -3.0557 -2.0116 0.8489 C.3 1 UNL1111111111 -0.2774 16 C 0.4158 0.7511 1.1153 C.3 1 UNL1111111111 -0.4462 17 C -4.0888 0.4079 -0.3388 C.ar 1 UNL1111111111 -0.0981 18 C -4.3614 -1.4333 1.4015 C.3 1 UNL1111111111 -0.2886 19 C -4.8705 -0.2679 0.6065 C.ar 1 UNL1111111111 0.0814 20 C 1.7409 -1.3437 -1.7384 C.1 1 UNL1111111111 -0.1247 21 C -4.6502 1.4753 -1.0514 C.ar 1 UNL1111111111 -0.0991 22 C -6.1839 0.1439 0.8581 C.ar 1 UNL1111111111 -0.3478 23 C 3.8997 -0.4053 -0.0741 C.2 1 UNL1111111111 0.6082 24 C -5.9509 1.8999 -0.8211 C.ar 1 UNL1111111111 -0.2564 25 C -6.6997 1.2214 0.1444 C.ar 1 UNL1111111111 0.2941 26 C 1.8802 -1.7117 -2.8829 C.1 1 UNL1111111111 -0.1712 27 C 4.7938 0.7613 0.2297 C.3 1 UNL1111111111 -0.3362 28 C 6.2536 0.3330 0.1274 C.3 1 UNL1111111111 -0.3308 29 C 7.1476 1.4580 0.5339 C.2 1 UNL1111111111 0.6460 30 H -0.8343 -1.8968 -0.8620 H 1 UNL1111111111 0.1463 31 H -2.0146 -0.2037 1.4339 H 1 UNL1111111111 0.1484 32 H -2.7366 -0.7063 -1.5446 H 1 UNL1111111111 0.1480 33 H -0.2907 0.0929 -2.2215 H 1 UNL1111111111 0.1457 34 H 0.3386 1.5595 -1.4722 H 1 UNL1111111111 0.1476 35 H -0.2709 -3.3134 0.9904 H 1 UNL1111111111 0.1399 36 H -0.0716 -1.9660 2.1135 H 1 UNL1111111111 0.1433 37 H 2.1980 -1.9160 1.4778 H 1 UNL1111111111 0.1565 38 H 1.9234 -3.0279 0.1457 H 1 UNL1111111111 0.1626 39 H -1.7518 1.8722 -0.1567 H 1 UNL1111111111 0.1466 40 H -2.1320 1.6877 -1.8721 H 1 UNL1111111111 0.1372 41 H -2.6036 -2.7041 1.5815 H 1 UNL1111111111 0.1398 42 H -3.2509 -2.6120 -0.0585 H 1 UNL1111111111 0.1440 43 H -0.5319 1.1890 1.4477 H 1 UNL1111111111 0.1504 44 H 0.8373 0.1978 1.9614 H 1 UNL1111111111 0.1493 45 H 1.1002 1.5814 0.8970 H 1 UNL1111111111 0.1568 46 H -4.2105 -1.1085 2.4543 H 1 UNL1111111111 0.1551 47 H -5.1311 -2.2318 1.4455 H 1 UNL1111111111 0.1515 48 H -4.0608 1.9894 -1.8124 H 1 UNL1111111111 0.1536 49 H -6.7885 -0.3713 1.5952 H 1 UNL1111111111 0.1599 50 H -6.3891 2.7300 -1.3673 H 1 UNL1111111111 0.1750 51 H 2.0044 -2.0292 -3.8537 H 1 UNL1111111111 0.1889 52 H 4.5621 1.1647 1.2430 H 1 UNL1111111111 0.1954 53 H 4.5725 1.6100 -0.4569 H 1 UNL1111111111 0.1922 54 H 6.5011 -0.0123 -0.9039 H 1 UNL1111111111 0.1969 55 H 6.4543 -0.5657 0.7592 H 1 UNL1111111111 0.2002 56 H -8.4507 1.1695 1.0189 H 1 UNL1111111111 0.3249 57 H 9.0884 1.8241 0.5957 H 1 UNL1111111111 0.3570 @BOND 1 1 9 1 2 1 23 1 3 2 23 2 4 3 25 1 5 3 56 1 6 4 29 1 7 4 57 1 8 5 29 2 9 6 7 1 10 6 9 1 11 6 11 1 12 6 16 1 13 7 8 1 14 7 12 1 15 7 30 1 16 8 10 1 17 8 15 1 18 8 31 1 19 9 13 1 20 9 20 1 21 10 14 1 22 10 17 1 23 10 32 1 24 11 14 1 25 11 33 1 26 11 34 1 27 12 13 1 28 12 35 1 29 12 36 1 30 13 37 1 31 13 38 1 32 14 39 1 33 14 40 1 34 15 18 1 35 15 41 1 36 15 42 1 37 16 43 1 38 16 44 1 39 16 45 1 40 17 19 ar 41 17 21 ar 42 18 19 1 43 18 46 1 44 18 47 1 45 19 22 ar 46 20 26 3 47 21 24 ar 48 21 48 1 49 22 25 ar 50 22 49 1 51 23 27 1 52 24 25 ar 53 24 50 1 54 26 51 1 55 27 28 1 56 27 52 1 57 27 53 1 58 28 29 1 59 28 54 1 60 28 55 1