@MOLECULE 1-(17-hydroxycur-19-en-1-yl)ethanone 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9494 -2.6435 2.0321 O.3 1 UNL1111111111 -0.5497 2 O 0.5211 -2.8064 -1.5277 O.2 1 UNL1111111111 -0.5188 3 N -1.6614 2.3574 -0.6162 N.3 1 UNL1111111111 -0.4345 4 N 1.3711 -1.1274 -0.3204 N.am 1 UNL1111111111 -0.5176 5 C 0.4061 1.0842 -0.3770 C.3 1 UNL1111111111 -0.0264 6 C -0.5713 2.0491 0.3483 C.3 1 UNL1111111111 0.0606 7 C 0.0348 -0.4405 -0.2865 C.3 1 UNL1111111111 0.0725 8 C -0.6727 -0.8497 1.0189 C.3 1 UNL1111111111 -0.1943 9 C -1.7897 0.1488 1.3902 C.3 1 UNL1111111111 -0.0998 10 C -1.1026 1.4951 1.6697 C.3 1 UNL1111111111 -0.3183 11 C 0.3025 1.5558 -1.8441 C.3 1 UNL1111111111 -0.3135 12 C -1.1529 2.0442 -1.9818 C.3 1 UNL1111111111 -0.1070 13 C 1.8247 1.1119 0.1018 C.ar 1 UNL1111111111 -0.1033 14 C -2.9362 1.6809 -0.3057 C.3 1 UNL1111111111 -0.1167 15 C -2.8558 0.3233 0.3423 C.2 1 UNL1111111111 -0.0736 16 C 2.3616 -0.2035 0.0842 C.ar 1 UNL1111111111 0.1982 17 C -1.1928 -2.2908 0.8918 C.3 1 UNL1111111111 -0.0064 18 C 2.6011 2.1771 0.5010 C.ar 1 UNL1111111111 -0.1125 19 C 1.5248 -2.2755 -1.0984 C.2 1 UNL1111111111 0.6189 20 C -3.7569 -0.6372 0.1007 C.2 1 UNL1111111111 -0.1661 21 C 3.6622 -0.4490 0.4979 C.ar 1 UNL1111111111 -0.2355 22 C 3.9231 1.9352 0.9039 C.ar 1 UNL1111111111 -0.1862 23 C 4.4377 0.6451 0.9039 C.ar 1 UNL1111111111 -0.1046 24 C 2.8961 -2.8269 -1.3343 C.3 1 UNL1111111111 -0.5210 25 C -4.8492 -0.5410 -0.9060 C.3 1 UNL1111111111 -0.4415 26 H -0.0475 3.0251 0.5302 H 1 UNL1111111111 0.1446 27 H -0.5845 -0.7474 -1.1653 H 1 UNL1111111111 0.1737 28 H 0.0790 -0.8282 1.8503 H 1 UNL1111111111 0.1524 29 H -2.2796 -0.2233 2.3285 H 1 UNL1111111111 0.1622 30 H -1.8113 2.2103 2.1279 H 1 UNL1111111111 0.1560 31 H -0.2790 1.3784 2.3966 H 1 UNL1111111111 0.1476 32 H 0.5473 0.7596 -2.5619 H 1 UNL1111111111 0.1511 33 H 1.0163 2.3748 -2.0390 H 1 UNL1111111111 0.1532 34 H -1.2084 2.9866 -2.5651 H 1 UNL1111111111 0.1442 35 H -1.7725 1.2915 -2.5052 H 1 UNL1111111111 0.1299 36 H -3.5587 1.6552 -1.2273 H 1 UNL1111111111 0.1426 37 H -3.4801 2.3654 0.3966 H 1 UNL1111111111 0.1518 38 H -0.3687 -3.0152 0.7619 H 1 UNL1111111111 0.1319 39 H -1.9077 -2.4178 0.0569 H 1 UNL1111111111 0.1572 40 H 2.2039 3.1904 0.5057 H 1 UNL1111111111 0.1581 41 H -3.7358 -1.5770 0.6612 H 1 UNL1111111111 0.1708 42 H 4.0747 -1.4503 0.5357 H 1 UNL1111111111 0.1624 43 H 4.5442 2.7690 1.2222 H 1 UNL1111111111 0.1529 44 H -1.3890 -2.6435 2.8307 H 1 UNL1111111111 0.3079 45 H 5.4628 0.4715 1.2299 H 1 UNL1111111111 0.1478 46 H 3.3074 -3.2864 -0.4241 H 1 UNL1111111111 0.1789 47 H 3.6033 -2.0634 -1.6871 H 1 UNL1111111111 0.1772 48 H 2.8550 -3.6182 -2.1029 H 1 UNL1111111111 0.1885 49 H -4.4550 -0.3574 -1.9162 H 1 UNL1111111111 0.1525 50 H -5.5477 0.2739 -0.6696 H 1 UNL1111111111 0.1502 51 H -5.4412 -1.4650 -0.9579 H 1 UNL1111111111 0.1513 @BOND 1 1 17 1 2 1 44 1 3 2 19 2 4 3 6 1 5 3 12 1 6 3 14 1 7 4 7 1 8 4 16 1 9 4 19 am 10 5 6 1 11 5 7 1 12 5 11 1 13 5 13 1 14 6 10 1 15 6 26 1 16 7 8 1 17 7 27 1 18 8 9 1 19 8 17 1 20 8 28 1 21 9 10 1 22 9 15 1 23 9 29 1 24 10 30 1 25 10 31 1 26 11 12 1 27 11 32 1 28 11 33 1 29 12 34 1 30 12 35 1 31 13 16 ar 32 13 18 ar 33 14 15 1 34 14 36 1 35 14 37 1 36 15 20 2 37 16 21 ar 38 17 38 1 39 17 39 1 40 18 22 ar 41 18 40 1 42 19 24 1 43 20 25 1 44 20 41 1 45 21 23 ar 46 21 42 1 47 22 23 ar 48 22 43 1 49 23 45 1 50 24 46 1 51 24 47 1 52 24 48 1 53 25 49 1 54 25 50 1 55 25 51 1