@MOLECULE 3,5-diamino-n-(diaminomethylene)-6-iodo-2-pyrazinecarboxamide 23 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -2.2728 -0.6521 -0.0356 I 1 UNL1 0.0386 2 O 3.9522 0.7904 -0.4707 O.2 1 UNL1 -0.5200 3 N 0.3482 2.8755 0.1488 N.ar 1 UNL1 -0.5800 4 N 0.5300 0.0914 -0.0813 N.ar 1 UNL1 -0.2236 5 N 2.6482 3.0655 -0.0064 N.pl3 1 UNL1 -0.5300 6 N 3.1669 -1.1573 0.2986 N.am 1 UNL1 -0.6585 7 N -1.9436 2.7774 0.3280 N.pl3 1 UNL1 -0.5674 8 N 2.8135 -3.3525 0.9333 N.pl3 1 UNL1 -0.6200 9 N 1.5726 -2.5197 -0.9147 N.pl3 1 UNL1 -0.6383 10 C 1.6496 0.8182 -0.0601 C.ar 1 UNL1 -0.2534 11 C 1.5647 2.2574 0.0271 C.ar 1 UNL1 0.4524 12 C -0.7690 2.1053 0.1688 C.ar 1 UNL1 0.4406 13 C -0.6492 0.6791 0.0250 C.ar 1 UNL1 -0.1899 14 C 2.9789 0.1366 -0.1391 C.2 1 UNL1 0.6824 15 C 2.4987 -2.2614 0.1055 C.2 1 UNL1 0.6295 16 H 2.5505 4.0611 0.0318 H 1 UNL1 0.3211 17 H 3.5638 2.6502 -0.1612 H 1 UNL1 0.3563 18 H -1.9333 3.7807 0.3916 H 1 UNL1 0.3268 19 H -2.8296 2.3237 0.3085 H 1 UNL1 0.3175 20 H 3.5707 -3.1941 1.5864 H 1 UNL1 0.3120 21 H 2.8293 -4.2646 0.5166 H 1 UNL1 0.2900 22 H 1.0502 -1.7062 -1.2208 H 1 UNL1 0.3208 23 H 0.9940 -3.3379 -0.8354 H 1 UNL1 0.2930 @BOND 1 22 9 1 2 9 23 1 3 9 15 1 4 2 14 2 5 17 5 1 6 14 10 1 7 14 6 1 8 4 10 ar 9 4 13 ar 10 10 11 ar 11 1 13 1 12 5 11 1 13 5 16 1 14 13 12 ar 15 11 3 ar 16 15 6 2 17 15 8 1 18 3 12 ar 19 12 7 1 20 19 7 1 21 7 18 1 22 21 8 1 23 8 20 1