@MOLECULE 4-[[4-(4-azido-2,6-dimethyl-anilino)-5H-pyrimidine-1,3-diium-5-id-2-yl]amino]benzonitrile 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 2.1560 2.4007 -0.0569 N.pl3 1 UNL1 -0.4754 2 N 0.1534 1.1958 -0.0070 N.ar 1 UNL1 -0.6110 3 N -1.7586 -0.0637 -0.0502 N.pl3 1 UNL1 -0.4682 4 N 4.8649 -2.4839 -0.6183 N.2 1 UNL1 -0.4213 5 N -1.9793 2.3218 0.2356 N.ar 1 UNL1 -0.5452 6 N 5.4241 -3.1337 0.2893 N.2 1 UNL1 0.4339 7 N 5.9859 -3.8803 0.9335 N.2 1 UNL1 -0.1837 8 N -8.1761 -2.2055 0.1114 N.1 1 UNL1 -0.2551 9 C 2.8709 1.1646 -0.1671 C.ar 1 UNL1 0.0489 10 C 3.5385 0.6425 0.9519 C.ar 1 UNL1 0.0798 11 C 2.8813 0.4878 -1.4020 C.ar 1 UNL1 0.1177 12 C 4.2250 -0.5655 0.8359 C.ar 1 UNL1 -0.3026 13 C 3.5592 -0.7241 -1.5059 C.ar 1 UNL1 -0.2314 14 C 4.2207 -1.2465 -0.3862 C.ar 1 UNL1 0.2108 15 C 3.5120 1.3556 2.2595 C.3 1 UNL1 -0.4518 16 C 2.1661 1.0354 -2.5860 C.3 1 UNL1 -0.4496 17 C 0.7888 2.3944 0.0946 C.ar 1 UNL1 0.4777 18 C 0.0626 3.6003 0.2960 C.ar 1 UNL1 -0.4939 19 C -1.2144 1.2043 0.0629 C.ar 1 UNL1 0.5527 20 C -3.1142 -0.4256 0.0003 C.ar 1 UNL1 0.2704 21 C -1.3226 3.4952 0.3525 C.ar 1 UNL1 0.2019 22 C -3.3762 -1.8052 0.1549 C.ar 1 UNL1 -0.2665 23 C -4.1776 0.4792 -0.1290 C.ar 1 UNL1 -0.2294 24 C -4.6847 -2.2595 0.1837 C.ar 1 UNL1 -0.0489 25 C -5.4844 0.0129 -0.0992 C.ar 1 UNL1 -0.0491 26 C -5.7455 -1.3537 0.0572 C.ar 1 UNL1 -0.1087 27 C -7.0836 -1.8222 0.0873 C.1 1 UNL1 0.1226 28 H 2.6816 3.2102 0.2439 H 1 UNL1 0.3201 29 H 4.7456 -0.9702 1.6979 H 1 UNL1 0.1649 30 H 3.5727 -1.2739 -2.4474 H 1 UNL1 0.1853 31 H 3.9683 0.7700 3.0709 H 1 UNL1 0.1650 32 H 2.4788 1.5739 2.5760 H 1 UNL1 0.1703 33 H 4.0553 2.3105 2.2131 H 1 UNL1 0.1600 34 H 2.4475 0.5394 -3.5240 H 1 UNL1 0.1604 35 H 2.3462 2.1133 -2.7144 H 1 UNL1 0.1660 36 H 1.0747 0.9113 -2.4639 H 1 UNL1 0.1799 37 H 0.5634 4.5512 0.3869 H 1 UNL1 0.1847 38 H -1.0697 -0.8246 -0.1045 H 1 UNL1 0.3398 39 H -1.9680 4.3734 0.4984 H 1 UNL1 0.1763 40 H -2.5560 -2.5133 0.2583 H 1 UNL1 0.1682 41 H -3.9908 1.5512 -0.2502 H 1 UNL1 0.2108 42 H -4.8920 -3.3242 0.3066 H 1 UNL1 0.1608 43 H -6.3130 0.7170 -0.1996 H 1 UNL1 0.1630 @BOND 1 34 16 1 2 35 16 1 3 16 36 1 4 16 11 1 5 30 13 1 6 13 11 ar 7 13 14 ar 8 11 9 ar 9 4 14 1 10 4 6 2 11 14 12 ar 12 41 23 1 13 43 25 1 14 9 1 1 15 9 10 ar 16 23 25 ar 17 23 20 ar 18 38 3 1 19 25 26 ar 20 1 17 1 21 1 28 1 22 3 20 1 23 3 19 1 24 2 19 ar 25 2 17 ar 26 20 22 ar 27 26 27 1 28 26 24 ar 29 19 5 ar 30 27 8 3 31 17 18 ar 32 22 24 ar 33 22 40 1 34 24 42 1 35 5 21 ar 36 6 7 2 37 18 21 ar 38 18 37 1 39 21 39 1 40 12 10 ar 41 12 29 1 42 10 15 1 43 33 15 1 44 15 32 1 45 15 31 1