@MOLECULE 3-(2-propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.1272 -2.0073 0.1601 O.2 1 UNL1111111111 -0.3793 2 O 6.2799 2.0828 -0.1466 O.2 1 UNL1111111111 -0.3267 3 O -5.2920 0.5991 -0.1804 O.3 1 UNL1111111111 -0.3412 4 N 6.0802 0.7183 -0.1070 N.2 1 UNL1111111111 -0.1200 5 C 2.4928 0.2756 0.3721 C.3 1 UNL1111111111 -0.1375 6 C 1.0426 0.5830 0.0202 C.3 1 UNL1111111111 -0.1093 7 C 2.9124 -1.0713 -0.2851 C.3 1 UNL1111111111 -0.0308 8 C 0.1725 -0.5213 0.6833 C.3 1 UNL1111111111 -0.1053 9 C 2.1113 -2.1867 0.3763 C.3 1 UNL1111111111 -0.2710 10 C 0.6039 -1.9237 0.1995 C.3 1 UNL1111111111 -0.2733 11 C 3.6054 1.2582 -0.0392 C.3 1 UNL1111111111 -0.3017 12 C 0.5887 1.9453 0.5498 C.3 1 UNL1111111111 -0.2761 13 C 4.4195 -1.0654 -0.0309 C.2 1 UNL1111111111 0.4414 14 C -1.2879 -0.2514 0.4374 C.ar 1 UNL1111111111 -0.1056 15 C 2.7662 -1.1162 -1.8104 C.3 1 UNL1111111111 -0.4502 16 C 4.8395 0.3920 -0.0609 C.2 1 UNL1111111111 -0.0311 17 C -0.8251 2.2262 0.0330 C.3 1 UNL1111111111 -0.2849 18 C -1.7445 1.0471 0.1536 C.ar 1 UNL1111111111 0.0726 19 C -2.2174 -1.2855 0.5470 C.ar 1 UNL1111111111 -0.0933 20 C -3.1019 1.2826 -0.0478 C.ar 1 UNL1111111111 -0.2890 21 C -3.5802 -1.0715 0.3504 C.ar 1 UNL1111111111 -0.3112 22 C -4.0080 0.2189 0.0473 C.ar 1 UNL1111111111 0.2614 23 C -6.2994 -0.4160 -0.1013 C.3 1 UNL1111111111 -0.0583 24 C -7.5714 0.3098 -0.3999 C.2 1 UNL1111111111 -0.1231 25 C -8.7537 -0.3013 -0.4206 C.2 1 UNL1111111111 -0.3334 26 H 2.5557 0.1601 1.4870 H 1 UNL1111111111 0.1487 27 H 0.8970 0.5579 -1.0850 H 1 UNL1111111111 0.1505 28 H 0.3363 -0.4748 1.7927 H 1 UNL1111111111 0.1478 29 H 2.3637 -2.2624 1.4509 H 1 UNL1111111111 0.1459 30 H 2.3787 -3.1693 -0.0576 H 1 UNL1111111111 0.1521 31 H 0.3187 -2.0494 -0.8617 H 1 UNL1111111111 0.1456 32 H 0.0457 -2.6994 0.7576 H 1 UNL1111111111 0.1365 33 H 3.7043 2.1014 0.6675 H 1 UNL1111111111 0.1664 34 H 3.4179 1.7136 -1.0291 H 1 UNL1111111111 0.1679 35 H 1.2800 2.7436 0.2239 H 1 UNL1111111111 0.1399 36 H 0.6063 1.9599 1.6556 H 1 UNL1111111111 0.1448 37 H 1.7132 -1.0904 -2.1177 H 1 UNL1111111111 0.1625 38 H 3.2657 -0.2728 -2.3006 H 1 UNL1111111111 0.1507 39 H 3.1977 -2.0406 -2.2169 H 1 UNL1111111111 0.1577 40 H -0.7786 2.5330 -1.0355 H 1 UNL1111111111 0.1567 41 H -1.2520 3.0981 0.5723 H 1 UNL1111111111 0.1546 42 H -1.8853 -2.2942 0.7966 H 1 UNL1111111111 0.1498 43 H -3.4741 2.2782 -0.2761 H 1 UNL1111111111 0.1733 44 H -4.2728 -1.8992 0.4379 H 1 UNL1111111111 0.1605 45 H 7.2840 2.1564 -0.1699 H 1 UNL1111111111 0.3163 46 H -6.0812 -1.2022 -0.8494 H 1 UNL1111111111 0.1424 47 H -6.2955 -0.8509 0.9167 H 1 UNL1111111111 0.1426 48 H -7.4510 1.3776 -0.5984 H 1 UNL1111111111 0.1673 49 H -9.6804 0.2093 -0.6344 H 1 UNL1111111111 0.1508 50 H -8.8968 -1.3528 -0.2280 H 1 UNL1111111111 0.1460 @BOND 1 1 13 2 2 2 4 1 3 2 45 1 4 3 22 1 5 3 23 1 6 4 16 2 7 5 6 1 8 5 7 1 9 5 11 1 10 5 26 1 11 6 8 1 12 6 12 1 13 6 27 1 14 7 9 1 15 7 13 1 16 7 15 1 17 8 10 1 18 8 14 1 19 8 28 1 20 9 10 1 21 9 29 1 22 9 30 1 23 10 31 1 24 10 32 1 25 11 16 1 26 11 33 1 27 11 34 1 28 12 17 1 29 12 35 1 30 12 36 1 31 13 16 1 32 14 18 ar 33 14 19 ar 34 15 37 1 35 15 38 1 36 15 39 1 37 17 18 1 38 17 40 1 39 17 41 1 40 18 20 ar 41 19 21 ar 42 19 42 1 43 20 22 ar 44 20 43 1 45 21 22 ar 46 21 44 1 47 23 24 1 48 23 46 1 49 23 47 1 50 24 25 2 51 24 48 1 52 25 49 1 53 25 50 1