@MOLECULE (3ar,9br)-2-methyl-2,3,3a,4,5,9b-hexahydro-1h-benzo[e]isoindole-6,7-diol 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.7851 1.6320 0.8740 O.3 1 UNL1111111111 -0.4907 2 O 4.1950 -0.6428 0.4737 O.3 1 UNL1111111111 -0.4513 3 N -3.2923 -0.6545 0.3780 N.3 1 UNL1111111111 -0.4046 4 C -1.9893 0.7668 -1.0875 C.3 1 UNL1111111111 -0.1159 5 C -1.2565 -0.5964 -0.9748 C.3 1 UNL1111111111 -0.1308 6 C -3.0440 0.7707 0.0439 C.3 1 UNL1111111111 -0.1330 7 C -2.0383 -1.4004 0.1008 C.3 1 UNL1111111111 -0.1235 8 C -1.0567 1.9754 -1.0142 C.3 1 UNL1111111111 -0.2725 9 C 0.1929 -0.5377 -0.5975 C.ar 1 UNL1111111111 -0.0314 10 C -0.0601 1.8450 0.1453 C.3 1 UNL1111111111 -0.2621 11 C 0.7634 0.6136 -0.0410 C.ar 1 UNL1111111111 -0.0770 12 C -3.7348 -0.8235 1.7742 C.3 1 UNL1111111111 -0.2810 13 C 0.9707 -1.6822 -0.7946 C.ar 1 UNL1111111111 -0.1674 14 C 2.1077 0.5822 0.3233 C.ar 1 UNL1111111111 0.1101 15 C 2.3150 -1.7125 -0.4340 C.ar 1 UNL1111111111 -0.1973 16 C 2.8838 -0.5740 0.1307 C.ar 1 UNL1111111111 0.2056 17 H -2.5242 0.7911 -2.0674 H 1 UNL1111111111 0.1410 18 H -1.3492 -1.1149 -1.9599 H 1 UNL1111111111 0.1499 19 H -2.7026 1.3704 0.9096 H 1 UNL1111111111 0.1187 20 H -4.0051 1.2046 -0.2984 H 1 UNL1111111111 0.1401 21 H -2.3291 -2.4003 -0.2801 H 1 UNL1111111111 0.1425 22 H -1.4148 -1.5595 1.0031 H 1 UNL1111111111 0.1291 23 H -1.6451 2.9061 -0.9128 H 1 UNL1111111111 0.1399 24 H -0.4982 2.0699 -1.9681 H 1 UNL1111111111 0.1513 25 H -0.6041 1.7879 1.1131 H 1 UNL1111111111 0.1542 26 H 0.5638 2.7599 0.1967 H 1 UNL1111111111 0.1343 27 H -3.9457 -1.8916 1.9523 H 1 UNL1111111111 0.1477 28 H -4.6815 -0.2761 1.9164 H 1 UNL1111111111 0.1452 29 H -3.0147 -0.4790 2.5317 H 1 UNL1111111111 0.1195 30 H 0.5196 -2.5704 -1.2361 H 1 UNL1111111111 0.1584 31 H 2.9231 -2.6020 -0.5834 H 1 UNL1111111111 0.1763 32 H 2.1876 2.3958 1.0622 H 1 UNL1111111111 0.3349 33 H 4.4985 0.2130 0.8783 H 1 UNL1111111111 0.3401 @BOND 1 1 14 1 2 1 32 1 3 2 16 1 4 2 33 1 5 3 6 1 6 3 7 1 7 3 12 1 8 4 5 1 9 4 6 1 10 4 8 1 11 4 17 1 12 5 7 1 13 5 9 1 14 5 18 1 15 6 19 1 16 6 20 1 17 7 21 1 18 7 22 1 19 8 10 1 20 8 23 1 21 8 24 1 22 9 11 ar 23 9 13 ar 24 10 11 1 25 10 25 1 26 10 26 1 27 11 14 ar 28 12 27 1 29 12 28 1 30 12 29 1 31 13 15 ar 32 13 30 1 33 14 16 ar 34 15 16 ar 35 15 31 1