@MOLECULE (15z)-12,18-dihydroxy-3,8-didehydrosenecionan-11,16-dione 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8919 1.2551 -0.1482 O.3 1 UNL1111111111 -0.4093 2 O 0.1867 -1.7235 -0.8857 O.3 1 UNL1111111111 -0.4359 3 O 2.9121 -1.1544 1.3312 O.3 1 UNL1111111111 -0.5313 4 O 2.9011 -3.3842 -0.4089 O.3 1 UNL1111111111 -0.5534 5 O 0.4927 -2.4145 1.2467 O.2 1 UNL1111111111 -0.4685 6 O -0.5561 3.0871 -1.4038 O.2 1 UNL1111111111 -0.5269 7 N -3.6225 -0.2034 0.5058 N.ar 1 UNL1111111111 -0.2138 8 C -2.0780 0.9309 -0.8747 C.3 1 UNL1111111111 0.1574 9 C -2.5023 -0.3768 -0.3078 C.ar 1 UNL1111111111 -0.0145 10 C -3.2259 1.9110 -0.4813 C.3 1 UNL1111111111 -0.3301 11 C -4.1211 1.1673 0.5499 C.3 1 UNL1111111111 -0.0821 12 C 2.1415 0.2811 -0.3754 C.3 1 UNL1111111111 -0.0902 13 C 2.2637 -1.1854 0.0887 C.3 1 UNL1111111111 0.2002 14 C -2.1505 -1.7236 -0.2654 C.ar 1 UNL1111111111 -0.1038 15 C 1.5883 1.1361 0.7846 C.3 1 UNL1111111111 -0.2637 16 C -3.9994 -1.4054 1.0561 C.ar 1 UNL1111111111 -0.0769 17 C -3.0909 -2.3670 0.5942 C.ar 1 UNL1111111111 -0.2256 18 C -1.0613 -2.4117 -0.9839 C.3 1 UNL1111111111 0.0135 19 C 1.0582 2.4328 0.2721 C.2 1 UNL1111111111 -0.1386 20 C 3.4937 0.8328 -0.8314 C.3 1 UNL1111111111 -0.4526 21 C 3.0728 -2.0620 -0.8921 C.3 1 UNL1111111111 -0.0543 22 C 0.8854 -1.8438 0.2692 C.2 1 UNL1111111111 0.5609 23 C -0.1772 2.3399 -0.5345 C.2 1 UNL1111111111 0.5951 24 C 1.5955 3.6451 0.4715 C.2 1 UNL1111111111 -0.0539 25 C 2.8227 3.8968 1.2679 C.3 1 UNL1111111111 -0.4570 26 H -1.8510 0.9310 -1.9581 H 1 UNL1111111111 0.1547 27 H -3.8016 2.2032 -1.3729 H 1 UNL1111111111 0.1588 28 H -2.8086 2.8412 -0.0610 H 1 UNL1111111111 0.1748 29 H -4.0077 1.5888 1.5719 H 1 UNL1111111111 0.1549 30 H -5.1950 1.2106 0.2788 H 1 UNL1111111111 0.1474 31 H 1.4209 0.3128 -1.2330 H 1 UNL1111111111 0.1611 32 H 2.3745 1.2776 1.5548 H 1 UNL1111111111 0.1695 33 H 0.7849 0.5788 1.3227 H 1 UNL1111111111 0.1788 34 H -4.8381 -1.5144 1.7111 H 1 UNL1111111111 0.1648 35 H -3.0868 -3.4040 0.8509 H 1 UNL1111111111 0.1646 36 H -0.9222 -3.4541 -0.6303 H 1 UNL1111111111 0.1472 37 H -1.2158 -2.4052 -2.0844 H 1 UNL1111111111 0.1458 38 H 4.2673 0.6638 -0.0710 H 1 UNL1111111111 0.1583 39 H 3.8316 0.3799 -1.7679 H 1 UNL1111111111 0.1369 40 H 3.4325 1.9153 -1.0049 H 1 UNL1111111111 0.1538 41 H 4.1505 -1.8227 -0.8418 H 1 UNL1111111111 0.1404 42 H 2.6972 -1.9696 -1.9243 H 1 UNL1111111111 0.1314 43 H 2.8692 -2.0464 1.7597 H 1 UNL1111111111 0.3451 44 H 1.1262 4.5388 0.0463 H 1 UNL1111111111 0.1571 45 H 3.0918 -4.0364 -1.1089 H 1 UNL1111111111 0.3200 46 H 3.3065 4.8458 0.9998 H 1 UNL1111111111 0.1534 47 H 3.5764 3.1028 1.1454 H 1 UNL1111111111 0.1674 48 H 2.5874 3.9458 2.3442 H 1 UNL1111111111 0.1692 @BOND 1 1 8 1 2 1 23 1 3 2 18 1 4 2 22 1 5 3 13 1 6 3 43 1 7 4 21 1 8 4 45 1 9 5 22 2 10 6 23 2 11 7 9 ar 12 7 11 1 13 7 16 ar 14 8 9 1 15 8 10 1 16 8 26 1 17 9 14 ar 18 10 11 1 19 10 27 1 20 10 28 1 21 11 29 1 22 11 30 1 23 12 13 1 24 12 15 1 25 12 20 1 26 12 31 1 27 13 21 1 28 13 22 1 29 14 17 ar 30 14 18 1 31 15 19 1 32 15 32 1 33 15 33 1 34 16 17 ar 35 16 34 1 36 17 35 1 37 18 36 1 38 18 37 1 39 19 23 1 40 19 24 2 41 20 38 1 42 20 39 1 43 20 40 1 44 21 41 1 45 21 42 1 46 24 25 1 47 24 44 1 48 25 46 1 49 25 47 1 50 25 48 1