@MOLECULE oryctalure 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8552 0.3196 0.3851 O.3 1 UNL1111111111 -0.4460 2 O -2.1038 -0.6740 -1.4803 O.2 1 UNL1111111111 -0.5153 3 C 1.5978 -1.6431 0.5831 C.3 1 UNL1111111111 -0.0763 4 C 2.3301 -0.3611 1.0254 C.3 1 UNL1111111111 -0.2878 5 C 0.3474 -1.3584 -0.2667 C.3 1 UNL1111111111 -0.2682 6 C 2.7431 0.5474 -0.1382 C.3 1 UNL1111111111 -0.2658 7 C 2.5399 -2.5671 -0.1994 C.3 1 UNL1111111111 -0.4537 8 C -0.7069 -0.5716 0.5146 C.3 1 UNL1111111111 -0.3514 9 C 3.5143 1.7703 0.3771 C.3 1 UNL1111111111 -0.2551 10 C 3.9253 2.6792 -0.7814 C.3 1 UNL1111111111 -0.4398 11 C -1.9192 -0.3479 -0.3362 C.2 1 UNL1111111111 0.6080 12 C -4.0845 0.6226 -0.2913 C.3 1 UNL1111111111 0.0108 13 C -4.9108 1.3584 0.7508 C.3 1 UNL1111111111 -0.4631 14 H 1.2755 -2.1807 1.5107 H 1 UNL1111111111 0.1282 15 H 1.6915 0.2053 1.7293 H 1 UNL1111111111 0.1330 16 H 3.2281 -0.6459 1.6075 H 1 UNL1111111111 0.1354 17 H -0.0877 -2.3148 -0.6227 H 1 UNL1111111111 0.1529 18 H 0.6225 -0.8132 -1.1914 H 1 UNL1111111111 0.1562 19 H 3.3663 -0.0141 -0.8585 H 1 UNL1111111111 0.1381 20 H 1.8515 0.8782 -0.7032 H 1 UNL1111111111 0.1408 21 H 3.4562 -2.7709 0.3644 H 1 UNL1111111111 0.1420 22 H 2.0653 -3.5302 -0.4162 H 1 UNL1111111111 0.1437 23 H 2.8367 -2.1247 -1.1568 H 1 UNL1111111111 0.1477 24 H -0.3010 0.4082 0.8501 H 1 UNL1111111111 0.1809 25 H -0.9902 -1.1038 1.4473 H 1 UNL1111111111 0.1761 26 H 2.8933 2.3345 1.0979 H 1 UNL1111111111 0.1331 27 H 4.4102 1.4453 0.9383 H 1 UNL1111111111 0.1313 28 H 4.5730 2.1540 -1.4922 H 1 UNL1111111111 0.1424 29 H 3.0519 3.0404 -1.3361 H 1 UNL1111111111 0.1444 30 H 4.4740 3.5569 -0.4228 H 1 UNL1111111111 0.1397 31 H -4.5463 -0.3257 -0.6181 H 1 UNL1111111111 0.1327 32 H -3.8534 1.2421 -1.1756 H 1 UNL1111111111 0.1333 33 H -5.8873 1.6493 0.3479 H 1 UNL1111111111 0.1535 34 H -5.0813 0.7344 1.6380 H 1 UNL1111111111 0.1588 35 H -4.4002 2.2677 1.0947 H 1 UNL1111111111 0.1591 @BOND 1 1 11 1 2 1 12 1 3 2 11 2 4 3 4 1 5 3 5 1 6 3 7 1 7 3 14 1 8 4 6 1 9 4 15 1 10 4 16 1 11 5 8 1 12 5 17 1 13 5 18 1 14 6 9 1 15 6 19 1 16 6 20 1 17 7 21 1 18 7 22 1 19 7 23 1 20 8 11 1 21 8 24 1 22 8 25 1 23 9 10 1 24 9 26 1 25 9 27 1 26 10 28 1 27 10 29 1 28 10 30 1 29 12 13 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1