@MOLECULE (4ar,9bs)-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1h-pyrido[4,3-b]indole 2-oxide 16 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.1844 0.3263 -0.7543 O.3 1 UNL1 -0.2446 2 N 4.3432 -0.4789 0.2187 N.4 1 UNL1 -0.2905 3 N -0.1549 1.2880 0.0600 N.ar 1 UNL1 -0.3061 4 C -0.5125 -1.0295 0.0153 C.ar 1 UNL1 -0.6145 5 C 0.4438 0.1017 0.0570 C.ar 1 UNL1 0.3049 6 C -0.2707 -2.3412 -0.0183 C.3 1 UNL1 0.6256 7 C 1.8312 -0.0666 0.0875 C.1 1 UNL1 -0.0975 8 C 3.0448 -0.1786 0.1497 C.1 1 UNL1 0.0865 9 C -1.8188 -0.4046 -0.0027 C.ar 1 UNL1 0.0645 10 C -1.5314 1.0600 0.0214 C.ar 1 UNL1 0.1790 11 C 5.4274 0.4483 0.5261 C.3 1 UNL1 0.5029 12 C -3.1194 -0.8291 -0.0329 C.ar 1 UNL1 -0.3408 13 C -2.6780 1.7960 0.0076 C.ar 1 UNL1 -0.0805 14 C -4.2680 0.0680 -0.0444 C.ar 1 UNL1 -0.2138 15 C -3.8655 1.3499 -0.0203 C.ar 1 UNL1 0.0612 16 C -4.4729 -1.3525 -0.0661 C.3 1 UNL1 0.3637 @BOND 1 1 2 1 2 1 11 1 3 16 14 1 4 16 12 1 5 14 12 ar 6 14 15 ar 7 12 9 ar 8 15 13 ar 9 6 4 1 10 9 4 ar 11 9 10 ar 12 13 10 ar 13 4 5 ar 14 10 3 ar 15 5 3 ar 16 5 7 1 17 7 8 3 18 8 2 1 19 2 11 1