@MOLECULE 10-hydroperoxyestr-4-ene-3,17-dione 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3595 0.2096 1.9418 O.3 1 UNL1111111111 -0.1343 2 O 4.8867 1.2250 -0.9292 O.2 1 UNL1111111111 -0.4476 3 O -2.6274 0.0131 2.5658 O.3 1 UNL1111111111 -0.2985 4 O -4.9527 0.2026 -1.8854 O.2 1 UNL1111111111 -0.4525 5 C 0.6668 -0.8469 0.2528 C.3 1 UNL1111111111 -0.1188 6 C 2.0078 -0.6926 -0.4632 C.3 1 UNL1111111111 -0.1409 7 C -0.1686 0.4228 -0.0840 C.3 1 UNL1111111111 -0.1388 8 C 2.7746 0.5467 0.0729 C.3 1 UNL1111111111 -0.0391 9 C -1.5880 0.3135 0.5384 C.3 1 UNL1111111111 0.1406 10 C 0.5715 1.6997 0.3517 C.3 1 UNL1111111111 -0.2756 11 C 1.9748 1.7956 -0.2792 C.3 1 UNL1111111111 -0.2728 12 C 3.0498 -1.8263 -0.3824 C.3 1 UNL1111111111 -0.2706 13 C -0.0583 -2.1200 -0.2136 C.3 1 UNL1111111111 -0.2751 14 C 4.1300 0.3557 -0.6039 C.2 1 UNL1111111111 0.4650 15 C 4.3680 -1.1346 -0.7937 C.3 1 UNL1111111111 -0.3867 16 C -2.2054 -0.9726 0.0319 C.2 1 UNL1111111111 0.0601 17 C -1.4561 -2.2051 0.4243 C.3 1 UNL1111111111 -0.2950 18 C 3.0893 0.5096 1.5725 C.3 1 UNL1111111111 -0.4496 19 C -2.4821 1.5358 0.2770 C.3 1 UNL1111111111 -0.3024 20 C -3.1264 1.5072 -1.1043 C.3 1 UNL1111111111 -0.3774 21 C -3.2622 -1.0033 -0.7833 C.2 1 UNL1111111111 -0.3351 22 C -3.8985 0.2207 -1.2978 C.2 1 UNL1111111111 0.4867 23 H 0.8185 -0.9057 1.3583 H 1 UNL1111111111 0.1515 24 H 1.7908 -0.5260 -1.5529 H 1 UNL1111111111 0.1447 25 H -0.3123 0.4647 -1.1934 H 1 UNL1111111111 0.1534 26 H 0.6432 1.7361 1.4555 H 1 UNL1111111111 0.1516 27 H -0.0154 2.5958 0.0631 H 1 UNL1111111111 0.1438 28 H 1.8966 1.9167 -1.3760 H 1 UNL1111111111 0.1453 29 H 2.4937 2.7053 0.0804 H 1 UNL1111111111 0.1556 30 H 2.7977 -2.6645 -1.0445 H 1 UNL1111111111 0.1409 31 H 3.1128 -2.2474 0.6354 H 1 UNL1111111111 0.1439 32 H 0.5343 -3.0127 0.0578 H 1 UNL1111111111 0.1435 33 H -0.1453 -2.1372 -1.3179 H 1 UNL1111111111 0.1477 34 H 4.6371 -1.3544 -1.8424 H 1 UNL1111111111 0.1714 35 H 5.2267 -1.4679 -0.1882 H 1 UNL1111111111 0.1698 36 H -1.3687 -2.2868 1.5269 H 1 UNL1111111111 0.1544 37 H -1.9749 -3.1263 0.0953 H 1 UNL1111111111 0.1549 38 H 2.1794 0.5590 2.1820 H 1 UNL1111111111 0.1579 39 H 3.6190 -0.4043 1.8632 H 1 UNL1111111111 0.1482 40 H 3.7150 1.3635 1.8604 H 1 UNL1111111111 0.1582 41 H -1.9113 2.4723 0.4206 H 1 UNL1111111111 0.1558 42 H -3.2755 1.5735 1.0570 H 1 UNL1111111111 0.1765 43 H -2.3672 1.5973 -1.9076 H 1 UNL1111111111 0.1670 44 H -3.8014 2.3776 -1.2379 H 1 UNL1111111111 0.1758 45 H -3.7089 -1.9326 -1.1382 H 1 UNL1111111111 0.1800 46 H -2.5302 -0.9222 2.8720 H 1 UNL1111111111 0.2666 @BOND 1 1 3 1 2 1 9 1 3 2 14 2 4 3 46 1 5 4 22 2 6 5 6 1 7 5 7 1 8 5 13 1 9 5 23 1 10 6 8 1 11 6 12 1 12 6 24 1 13 7 9 1 14 7 10 1 15 7 25 1 16 8 11 1 17 8 14 1 18 8 18 1 19 9 16 1 20 9 19 1 21 10 11 1 22 10 26 1 23 10 27 1 24 11 28 1 25 11 29 1 26 12 15 1 27 12 30 1 28 12 31 1 29 13 17 1 30 13 32 1 31 13 33 1 32 14 15 1 33 15 34 1 34 15 35 1 35 16 17 1 36 16 21 2 37 17 36 1 38 17 37 1 39 18 38 1 40 18 39 1 41 18 40 1 42 19 20 1 43 19 41 1 44 19 42 1 45 20 22 1 46 20 43 1 47 20 44 1 48 21 22 1 49 21 45 1