@MOLECULE 17-alpha-acetoxy-7-oxaprogesterone 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3900 -0.3165 1.9804 O.3 1 UNL1111111111 -0.3885 2 O 2.9360 -1.1040 -0.4027 O.3 1 UNL1111111111 -0.4548 3 O 4.4231 2.0427 0.1222 O.2 1 UNL1111111111 -0.4478 4 O -6.6825 -1.2758 -0.3407 O.2 1 UNL1111111111 -0.4604 5 O 5.0446 -1.5302 0.2593 O.2 1 UNL1111111111 -0.5060 6 C 1.4795 0.7181 -0.1561 C.3 1 UNL1111111111 0.0614 7 C 0.6919 -0.0161 0.9636 C.3 1 UNL1111111111 -0.1582 8 C -0.7581 0.4505 0.9652 C.3 1 UNL1111111111 0.0930 9 C -1.3933 0.0696 -0.3937 C.3 1 UNL1111111111 -0.1828 10 C 2.9245 0.2042 0.1620 C.3 1 UNL1111111111 0.1514 11 C 0.8918 0.3008 -1.5066 C.3 1 UNL1111111111 -0.2898 12 C 1.5375 0.1990 2.2227 C.3 1 UNL1111111111 -0.2634 13 C -0.6025 0.6741 -1.5643 C.3 1 UNL1111111111 -0.2714 14 C -2.8940 0.4599 -0.3911 C.3 1 UNL1111111111 0.0460 15 C 2.9934 0.1409 1.7036 C.3 1 UNL1111111111 -0.3088 16 C 1.4734 2.2437 -0.0214 C.3 1 UNL1111111111 -0.4685 17 C -3.5383 -0.1125 0.8527 C.2 1 UNL1111111111 0.0475 18 C -3.5558 -0.1410 -1.6545 C.3 1 UNL1111111111 -0.2750 19 C 4.0182 1.0697 -0.4626 C.2 1 UNL1111111111 0.4649 20 C -2.7586 -0.0098 2.1330 C.3 1 UNL1111111111 -0.0711 21 C -3.1017 1.9826 -0.3677 C.3 1 UNL1111111111 -0.4548 22 C -5.0800 -0.0711 -1.6029 C.3 1 UNL1111111111 -0.3816 23 C -4.7673 -0.6432 0.8574 C.2 1 UNL1111111111 -0.3462 24 C 4.5241 0.6912 -1.8165 C.3 1 UNL1111111111 -0.5475 25 C -5.6065 -0.7263 -0.3493 C.2 1 UNL1111111111 0.4896 26 C 4.0176 -1.9076 -0.2397 C.2 1 UNL1111111111 0.6330 27 C 3.7087 -3.2586 -0.7870 C.3 1 UNL1111111111 -0.5106 28 H 0.6930 -1.1171 0.7422 H 1 UNL1111111111 0.1634 29 H -0.8640 1.5267 1.2066 H 1 UNL1111111111 0.1252 30 H -1.3386 -1.0476 -0.4769 H 1 UNL1111111111 0.1580 31 H 1.0132 -0.7888 -1.6614 H 1 UNL1111111111 0.1542 32 H 1.4336 0.7860 -2.3374 H 1 UNL1111111111 0.1417 33 H 1.3361 -0.5720 2.9827 H 1 UNL1111111111 0.1485 34 H 1.3174 1.1662 2.7022 H 1 UNL1111111111 0.1443 35 H -0.7102 1.7749 -1.5730 H 1 UNL1111111111 0.1442 36 H -1.0243 0.3226 -2.5250 H 1 UNL1111111111 0.1381 37 H 3.5927 0.9819 2.1022 H 1 UNL1111111111 0.1746 38 H 3.5065 -0.7741 2.0417 H 1 UNL1111111111 0.1619 39 H 0.4581 2.6498 0.0172 H 1 UNL1111111111 0.1499 40 H 1.9899 2.5764 0.8904 H 1 UNL1111111111 0.1701 41 H 1.9816 2.7237 -0.8665 H 1 UNL1111111111 0.1540 42 H -3.2409 -1.1974 -1.7690 H 1 UNL1111111111 0.1492 43 H -3.1880 0.3836 -2.5564 H 1 UNL1111111111 0.1450 44 H -2.8623 1.0037 2.5720 H 1 UNL1111111111 0.1368 45 H -3.0725 -0.7597 2.8895 H 1 UNL1111111111 0.1617 46 H -4.1608 2.2374 -0.2380 H 1 UNL1111111111 0.1546 47 H -2.5513 2.4594 0.4503 H 1 UNL1111111111 0.1487 48 H -2.7685 2.4463 -1.3027 H 1 UNL1111111111 0.1515 49 H -5.5242 -0.5534 -2.4979 H 1 UNL1111111111 0.1722 50 H -5.4349 0.9793 -1.6355 H 1 UNL1111111111 0.1695 51 H -5.2278 -1.0566 1.7548 H 1 UNL1111111111 0.1801 52 H 3.7845 0.1464 -2.4146 H 1 UNL1111111111 0.1702 53 H 4.8453 1.5776 -2.3838 H 1 UNL1111111111 0.1802 54 H 5.4153 0.0466 -1.7143 H 1 UNL1111111111 0.1946 55 H 2.7279 -3.3042 -1.2836 H 1 UNL1111111111 0.1844 56 H 3.7068 -4.0075 0.0225 H 1 UNL1111111111 0.1891 57 H 4.4752 -3.5691 -1.5142 H 1 UNL1111111111 0.1847 @BOND 1 1 8 1 2 1 20 1 3 2 10 1 4 2 26 1 5 3 19 2 6 4 25 2 7 5 26 2 8 6 7 1 9 6 10 1 10 6 11 1 11 6 16 1 12 7 8 1 13 7 12 1 14 7 28 1 15 8 9 1 16 8 29 1 17 9 13 1 18 9 14 1 19 9 30 1 20 10 15 1 21 10 19 1 22 11 13 1 23 11 31 1 24 11 32 1 25 12 15 1 26 12 33 1 27 12 34 1 28 13 35 1 29 13 36 1 30 14 17 1 31 14 18 1 32 14 21 1 33 15 37 1 34 15 38 1 35 16 39 1 36 16 40 1 37 16 41 1 38 17 20 1 39 17 23 2 40 18 22 1 41 18 42 1 42 18 43 1 43 19 24 1 44 20 44 1 45 20 45 1 46 21 46 1 47 21 47 1 48 21 48 1 49 22 25 1 50 22 49 1 51 22 50 1 52 23 25 1 53 23 51 1 54 24 52 1 55 24 53 1 56 24 54 1 57 26 27 1 58 27 55 1 59 27 56 1 60 27 57 1