@MOLECULE 4-[7-acetyl-8-({4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-2(1h)-ylidene]-2,6-dichloro-2,5-cyclohexadien-1-one 33 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -6.9351 -1.0929 -0.3687 C.3 1 UNL1 0.4169 2 C -6.4897 0.4453 -0.3409 C.2 1 UNL1 0.2325 3 O -7.0313 1.4947 -0.4052 O.2 1 UNL1 -0.2790 4 C -5.0681 -0.0031 -0.1468 C.ar 1 UNL1 -0.2792 5 C -5.4417 -1.3714 -0.1188 C.ar 1 UNL1 -0.0451 6 N -4.6251 -2.4014 0.0471 N.ar 1 UNL1 -0.2866 7 C -3.3296 -2.0655 0.2061 C.ar 1 UNL1 0.2611 8 C -2.2188 -2.8852 0.3477 C.2 1 UNL1 -0.0356 9 C -1.0050 -2.6018 0.3884 C.2 1 UNL1 -0.0062 10 C -0.4286 -1.3423 0.3495 C.3 1 UNL1 0.0718 11 C 0.9389 -1.0500 0.1471 C.3 1 UNL1 0.1700 12 C 2.2482 -1.6400 0.0767 C.3 1 UNL1 -0.0114 13 C 3.5535 -1.8681 0.0036 C.3 1 UNL1 -0.1943 14 C 4.2494 -0.5863 -0.3569 C.2 1 UNL1 0.4563 15 O 5.4002 -0.3609 -0.5274 O.2 1 UNL1 -0.3307 16 C 3.1072 0.5684 -0.4983 C.3 1 UNL1 -0.0144 17 C 1.9120 -0.2166 -0.2304 C.3 1 UNL1 -0.1394 18 CL 3.1448 1.1364 -2.1473 Cl 1 UNL1 -0.0322 19 CL 4.4194 -3.2641 0.2531 Cl 1 UNL1 0.0399 20 N -1.4389 -0.3690 0.3820 N.pl3 1 UNL1 0.1154 21 C -2.8028 -0.6837 0.2122 C.ar 1 UNL1 -0.1363 22 C -3.7446 0.3984 -0.0099 C.ar 1 UNL1 0.2922 23 N -3.3603 1.7113 -0.1239 N.2 1 UNL1 -0.3826 24 C -2.0999 1.9929 0.1153 C.2 1 UNL1 0.3695 25 C -1.3802 3.2011 0.0652 C.2 1 UNL1 -0.1483 26 C -0.1912 3.4187 0.3424 C.2 1 UNL1 0.0605 27 C 0.8158 2.5427 0.7884 C.2 1 UNL1 -0.0922 28 C 0.1641 1.2499 1.0975 C.3 1 UNL1 0.0867 29 C -1.0970 0.9573 0.5262 C.3 1 UNL1 -0.2956 30 C 2.1166 2.3822 0.6786 C.1 1 UNL1 0.0848 31 N 4.4543 1.9823 1.0457 N.1 1 UNL1 -0.5509 32 C 5.5205 2.2141 1.5216 C.1 1 UNL1 0.4143 33 C 3.2474 1.7295 0.4623 C.2 1 UNL1 0.1882 @BOND 1 18 16 1 2 15 14 2 3 16 14 1 4 16 17 1 5 16 33 1 6 3 2 2 7 1 2 1 8 1 5 1 9 14 13 1 10 2 4 1 11 17 12 1 12 17 11 1 13 4 5 ar 14 4 22 ar 15 23 22 1 16 23 24 2 17 5 6 ar 18 22 21 ar 19 13 12 1 20 13 19 1 21 6 7 ar 22 25 24 1 23 25 26 2 24 12 11 1 25 24 29 1 26 11 10 1 27 7 21 ar 28 7 8 1 29 21 20 1 30 26 27 1 31 8 9 2 32 10 20 1 33 10 9 1 34 20 29 1 35 33 30 2 36 33 31 1 37 29 28 1 38 30 27 2 39 27 28 1 40 31 32 3