@MOLECULE 1h-indole-2,3-dione, 3-oxime 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.6634 -2.0122 0.0443 O.2 1 UNL1 -0.2998 2 O -1.4842 2.9412 -0.1136 O.3 1 UNL1 -0.4832 3 N -0.2724 -1.9943 -0.0702 N.2 1 UNL1 -0.5251 4 N -1.8723 1.5700 0.0214 N.4 1 UNL1 -0.0132 5 C 0.3118 0.3692 0.0492 C.ar 1 UNL1 -0.1779 6 C 0.6945 -0.9935 -0.0367 C.ar 1 UNL1 0.3076 7 C -1.0882 0.6007 0.1136 C.3 1 UNL1 -0.1605 8 C 1.3086 1.3479 0.1138 C.ar 1 UNL1 -0.0747 9 C -1.5129 -1.8214 0.0054 C.1 1 UNL1 0.6460 10 C 2.0491 -1.3560 -0.0853 C.ar 1 UNL1 -0.2234 11 C 2.6497 0.9879 0.0706 C.ar 1 UNL1 -0.2192 12 C 3.0141 -0.3598 -0.0303 C.ar 1 UNL1 -0.0659 13 H 1.0265 2.3959 0.2162 H 1 UNL1 0.1547 14 H 2.3223 -2.4080 -0.1613 H 1 UNL1 0.1803 15 H 3.4216 1.7535 0.1221 H 1 UNL1 0.1604 16 H 4.0712 -0.6276 -0.0614 H 1 UNL1 0.1541 17 H -2.8680 1.6230 0.1338 H 1 UNL1 0.3350 18 H -0.8340 3.0096 -0.8584 H 1 UNL1 0.3045 @BOND 1 18 2 1 2 14 10 1 3 2 4 1 4 10 6 ar 5 10 12 ar 6 3 6 1 7 3 9 2 8 16 12 1 9 6 5 ar 10 12 11 ar 11 9 1 2 12 4 7 1 13 4 17 1 14 5 7 1 15 5 8 ar 16 11 8 ar 17 11 15 1 18 8 13 1