@MOLECULE onchidal 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0101 3.9470 0.3172 O.2 1 UNL1111111111 -0.4496 2 O 3.5548 -0.7925 -0.8785 O.3 1 UNL1111111111 -0.4147 3 O 4.6434 -0.7716 1.0919 O.2 1 UNL1111111111 -0.4811 4 C -3.5363 -0.5528 -0.4878 C.3 1 UNL1111111111 0.1059 5 C -2.4402 0.4417 -0.0151 C.3 1 UNL1111111111 -0.1380 6 C -2.9751 -1.9843 -0.6108 C.3 1 UNL1111111111 -0.2932 7 C -2.3044 -2.4637 0.6803 C.3 1 UNL1111111111 -0.2577 8 C -1.7585 -0.0890 1.2218 C.2 1 UNL1111111111 0.0560 9 C -1.2145 -1.4822 1.1290 C.3 1 UNL1111111111 -0.2893 10 C -4.1072 -0.1313 -1.8524 C.3 1 UNL1111111111 -0.4727 11 C -4.6871 -0.5222 0.5340 C.3 1 UNL1111111111 -0.4683 12 C -1.3672 0.7400 -1.0902 C.3 1 UNL1111111111 -0.3105 13 C -1.6358 0.6477 2.3278 C.2 1 UNL1111111111 -0.3890 14 C -0.4570 1.7969 -0.5707 C.2 1 UNL1111111111 -0.0097 15 C 0.8742 1.7033 -0.3839 C.2 1 UNL1111111111 -0.1974 16 C 1.6602 0.5227 -0.6891 C.2 1 UNL1111111111 -0.2069 17 C 1.5545 2.8705 0.2286 C.2 1 UNL1111111111 0.3501 18 C 2.9847 0.4224 -0.5230 C.2 1 UNL1111111111 0.0805 19 C 4.4205 -1.3222 0.0489 C.2 1 UNL1111111111 0.6282 20 C 4.9778 -2.6007 -0.4617 C.3 1 UNL1111111111 -0.5167 21 H -2.9557 1.4075 0.2252 H 1 UNL1111111111 0.1479 22 H -3.7939 -2.6774 -0.8831 H 1 UNL1111111111 0.1372 23 H -2.2500 -2.0289 -1.4427 H 1 UNL1111111111 0.1368 24 H -1.8668 -3.4682 0.5274 H 1 UNL1111111111 0.1320 25 H -3.0584 -2.5841 1.4817 H 1 UNL1111111111 0.1413 26 H -0.7869 -1.8116 2.0966 H 1 UNL1111111111 0.1468 27 H -0.3657 -1.5009 0.4142 H 1 UNL1111111111 0.1487 28 H -3.3812 -0.2599 -2.6606 H 1 UNL1111111111 0.1440 29 H -4.4255 0.9169 -1.8462 H 1 UNL1111111111 0.1486 30 H -4.9847 -0.7348 -2.1111 H 1 UNL1111111111 0.1476 31 H -4.3311 -0.7500 1.5452 H 1 UNL1111111111 0.1551 32 H -5.1649 0.4646 0.5722 H 1 UNL1111111111 0.1456 33 H -5.4612 -1.2533 0.2844 H 1 UNL1111111111 0.1438 34 H -0.8410 -0.1923 -1.3714 H 1 UNL1111111111 0.1559 35 H -1.8497 1.0977 -2.0259 H 1 UNL1111111111 0.1632 36 H -2.0060 1.6549 2.4236 H 1 UNL1111111111 0.1501 37 H -1.1459 0.3046 3.2240 H 1 UNL1111111111 0.1516 38 H -0.9691 2.7368 -0.3103 H 1 UNL1111111111 0.1687 39 H 1.1089 -0.3386 -1.0788 H 1 UNL1111111111 0.1704 40 H 2.5698 2.7362 0.6215 H 1 UNL1111111111 0.1136 41 H 3.7018 1.1539 -0.1724 H 1 UNL1111111111 0.1587 42 H 5.6318 -3.0710 0.2899 H 1 UNL1111111111 0.1883 43 H 4.1842 -3.3192 -0.7194 H 1 UNL1111111111 0.1890 44 H 5.5720 -2.4417 -1.3761 H 1 UNL1111111111 0.1890 @BOND 1 1 17 2 2 2 18 1 3 2 19 1 4 3 19 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 11 1 9 5 8 1 10 5 12 1 11 5 21 1 12 6 7 1 13 6 22 1 14 6 23 1 15 7 9 1 16 7 24 1 17 7 25 1 18 8 9 1 19 8 13 2 20 9 26 1 21 9 27 1 22 10 28 1 23 10 29 1 24 10 30 1 25 11 31 1 26 11 32 1 27 11 33 1 28 12 14 1 29 12 34 1 30 12 35 1 31 13 36 1 32 13 37 1 33 14 15 2 34 14 38 1 35 15 16 1 36 15 17 1 37 16 18 2 38 16 39 1 39 17 40 1 40 18 41 1 41 19 20 1 42 20 42 1 43 20 43 1 44 20 44 1