@MOLECULE 8-amino-5-chloro-7-phenyl-2,3-dihydropyrido[3,4-d]pyridazine-1,4-dione 29 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 1.4323 3.0167 0.0218 Cl 1 UNL1 0.0307 2 O 1.5072 -3.3032 0.0590 O.2 1 UNL1 -0.5457 3 O 3.7753 1.4547 -0.0965 O.2 1 UNL1 -0.4379 4 N -0.5167 1.3486 0.0089 N.ar 1 UNL1 -0.2869 5 N 3.2993 -1.9969 -0.1200 N.ar 1 UNL1 -0.4006 6 N 3.8862 -0.7530 0.1536 N.ar 1 UNL1 -0.4163 7 N -0.9751 -2.2736 -0.0280 N.pl3 1 UNL1 -0.5533 8 C 1.0670 -0.9591 -0.0050 C.ar 1 UNL1 -0.2459 9 C 1.6648 0.3173 -0.0011 C.ar 1 UNL1 -0.1016 10 C -0.3385 -1.0752 -0.0088 C.ar 1 UNL1 0.2394 11 C -1.0979 0.1631 0.0002 C.ar 1 UNL1 0.0873 12 C -2.5714 0.1153 -0.0005 C.ar 1 UNL1 -0.0362 13 C 1.9146 -2.1524 0.0144 C.ar 1 UNL1 0.5920 14 C 0.8375 1.4297 0.0072 C.ar 1 UNL1 0.1053 15 C 3.1360 0.4296 -0.0237 C.ar 1 UNL1 0.5533 16 C -3.2639 0.1069 1.2110 C.ar 1 UNL1 -0.1315 17 C -3.2605 0.0869 -1.2138 C.ar 1 UNL1 -0.1319 18 C -4.6559 0.0550 1.2052 C.ar 1 UNL1 -0.1477 19 C -4.6525 0.0353 -1.2116 C.ar 1 UNL1 -0.1476 20 C -5.3491 0.0169 -0.0039 C.ar 1 UNL1 -0.1330 21 H 3.8976 -2.7844 0.1519 H 1 UNL1 0.3283 22 H 4.8754 -0.7234 -0.1223 H 1 UNL1 0.3256 23 H -2.7186 0.1561 2.1532 H 1 UNL1 0.1633 24 H -2.7120 0.1197 -2.1548 H 1 UNL1 0.1634 25 H -0.4332 -3.1300 -0.0126 H 1 UNL1 0.3502 26 H -1.9722 -2.3349 -0.0093 H 1 UNL1 0.3162 27 H -5.2026 0.0515 2.1468 H 1 UNL1 0.1549 28 H -5.1963 0.0168 -2.1546 H 1 UNL1 0.1549 29 H -6.4373 -0.0203 -0.0052 H 1 UNL1 0.1513 @BOND 1 24 17 1 2 28 19 1 3 17 19 ar 4 17 12 ar 5 19 20 ar 6 22 6 1 7 5 13 ar 8 5 21 1 9 5 6 ar 10 3 15 2 11 7 25 1 12 7 26 1 13 7 10 1 14 15 9 ar 15 15 6 ar 16 10 8 ar 17 10 11 ar 18 29 20 1 19 8 9 ar 20 8 13 ar 21 20 18 ar 22 9 14 ar 23 12 11 1 24 12 16 ar 25 11 4 ar 26 14 4 ar 27 14 1 1 28 13 2 2 29 18 16 ar 30 18 27 1 31 16 23 1