@MOLECULE 2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1h-pyrido[4,3-b]indole 2-oxide 16 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.2103 -1.0679 0.4624 O.2 1 UNL1 -0.4413 2 N 3.2476 1.9699 -0.6628 N.1 1 UNL1 -0.1358 3 N -0.7085 1.4643 0.3081 N.ar 1 UNL1 -0.2803 4 C -0.5779 -0.8633 0.1174 C.ar 1 UNL1 -0.6044 5 C 0.1251 0.4289 0.2651 C.ar 1 UNL1 0.1041 6 C -0.0594 -2.0968 0.1587 C.3 1 UNL1 0.6484 7 C 1.5325 0.4643 0.4891 C.3 1 UNL1 0.2170 8 C 2.4072 1.3343 -0.1713 C.1 1 UNL1 -0.0095 9 C -1.9761 -0.5145 0.0202 C.ar 1 UNL1 0.0842 10 C -2.0047 0.9682 0.1914 C.ar 1 UNL1 0.1493 11 C 7.5720 -0.8302 -0.5916 C.2 1 UNL1 0.4413 12 C -3.1535 -1.1872 -0.1775 C.ar 1 UNL1 -0.3597 13 C -3.2795 1.4516 0.1481 C.ar 1 UNL1 -0.0572 14 C -4.4585 -0.5463 -0.2173 C.ar 1 UNL1 -0.1891 15 C -4.3395 0.7801 -0.0330 C.ar 1 UNL1 0.0542 16 C -4.3535 -1.9714 -0.4015 C.3 1 UNL1 0.3788 @BOND 1 2 8 3 2 11 1 2 3 16 14 1 4 16 12 1 5 14 12 ar 6 14 15 ar 7 12 9 ar 8 8 7 1 9 15 13 ar 10 9 4 ar 11 9 10 ar 12 4 6 1 13 4 5 ar 14 13 10 ar 15 10 3 ar 16 5 3 ar 17 5 7 1