@MOLECULE 4,6-diamino-2-iodonicotinonitrile 16 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -1.7987 -0.2205 0.0011 I 1 UNL1 0.0871 2 N 0.8072 -1.4614 -0.0054 N.ar 1 UNL1 -0.5349 3 N 3.3280 1.8796 0.0049 N.pl3 1 UNL1 -0.5837 4 N 2.6184 -2.8988 0.0006 N.pl3 1 UNL1 -0.5737 5 N 0.0410 3.2903 -0.0039 N.1 1 UNL1 -0.2693 6 C 2.5066 0.7893 0.0014 C.ar 1 UNL1 0.4187 7 C 3.0582 -0.5053 0.0020 C.ar 1 UNL1 -0.5375 8 C 1.0850 0.9487 -0.0019 C.ar 1 UNL1 -0.3736 9 C 2.1843 -1.6056 -0.0021 C.ar 1 UNL1 0.4946 10 C 0.3190 -0.2320 -0.0044 C.ar 1 UNL1 0.2621 11 C 0.5052 2.2279 -0.0028 C.1 1 UNL1 0.1567 12 H 4.1288 -0.6504 0.0063 H 1 UNL1 0.1857 13 H 2.9643 2.8117 0.0037 H 1 UNL1 0.3196 14 H 4.3208 1.7762 0.0066 H 1 UNL1 0.3124 15 H 1.9555 -3.6517 -0.0051 H 1 UNL1 0.3247 16 H 3.5885 -3.1211 -0.0005 H 1 UNL1 0.3111 @BOND 1 2 10 ar 2 2 9 ar 3 15 4 1 4 10 8 ar 5 10 1 1 6 5 11 3 7 11 8 1 8 9 4 1 9 9 7 ar 10 8 6 ar 11 16 4 1 12 6 7 ar 13 6 3 1 14 7 12 1 15 13 3 1 16 3 14 1