@MOLECULE (4ar,8as)-octahydro-3h-isochromen-3-one 25 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9974 1.0462 0.0657 O.3 1 UNL111111 -0.4123 2 O 3.3524 -0.6459 -0.0060 O.2 1 UNL111111 -0.4585 3 C -0.2911 -0.6550 -0.3229 C.3 1 UNL111111 -0.0907 4 C -0.4347 0.7484 0.2913 C.3 1 UNL111111 -0.1658 5 C -1.4562 -1.5526 0.1232 C.3 1 UNL111111 -0.2778 6 C -1.7736 1.3810 -0.1118 C.3 1 UNL111111 -0.2731 7 C -2.7917 -0.9217 -0.2901 C.3 1 UNL111111 -0.2648 8 C -2.9373 0.4789 0.3191 C.3 1 UNL111111 -0.2629 9 C 1.0452 -1.2537 0.1199 C.3 1 UNL111111 -0.4061 10 C 0.7246 1.6042 -0.2151 C.3 1 UNL111111 -0.0375 11 C 2.1990 -0.2994 0.0259 C.2 1 UNL111111 0.6057 12 H -0.3099 -0.5722 -1.4369 H 1 UNL111111 0.1437 13 H -0.3860 0.6713 1.4037 H 1 UNL111111 0.1540 14 H -1.4335 -1.6991 1.2193 H 1 UNL111111 0.1413 15 H -1.3558 -2.5593 -0.3220 H 1 UNL111111 0.1377 16 H -1.8113 1.5429 -1.2057 H 1 UNL111111 0.1408 17 H -1.8790 2.3804 0.3498 H 1 UNL111111 0.1375 18 H -3.6312 -1.5648 0.0312 H 1 UNL111111 0.1331 19 H -2.8598 -0.8642 -1.3926 H 1 UNL111111 0.1380 20 H -3.8985 0.9296 0.0112 H 1 UNL111111 0.1330 21 H -2.9754 0.4090 1.4225 H 1 UNL111111 0.1388 22 H 1.2758 -2.1665 -0.4722 H 1 UNL111111 0.1824 23 H 0.9860 -1.6077 1.1743 H 1 UNL111111 0.1822 24 H 0.6866 1.7651 -1.3084 H 1 UNL111111 0.1328 25 H 0.7853 2.5825 0.3006 H 1 UNL111111 0.1485 @BOND 1 1 10 1 2 1 11 1 3 2 11 2 4 3 4 1 5 3 5 1 6 3 9 1 7 3 12 1 8 4 6 1 9 4 10 1 10 4 13 1 11 5 7 1 12 5 14 1 13 5 15 1 14 6 8 1 15 6 16 1 16 6 17 1 17 7 8 1 18 7 18 1 19 7 19 1 20 8 20 1 21 8 21 1 22 9 11 1 23 9 22 1 24 9 23 1 25 10 24 1 26 10 25 1