@MOLECULE 7-oxo-7h-benzimidazo[2,1-a]benzo[de]isoquinoline-3-carboxylic acid 34 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.0290 0.4094 0.0002 C.ar 1 UNL1 0.0237 2 C 2.4434 0.4315 0.0003 C.ar 1 UNL1 0.0070 3 C 3.1016 1.6941 0.0239 C.ar 1 UNL1 -0.0900 4 C 2.3886 2.8660 0.0386 C.ar 1 UNL1 -0.1740 5 C 0.9760 2.8439 0.0340 C.ar 1 UNL1 -0.0264 6 C 0.3106 1.6386 0.0175 C.ar 1 UNL1 -0.1770 7 C -1.1677 1.6707 0.0184 C.ar 1 UNL1 0.5985 8 O -1.8434 2.6697 0.0327 O.2 1 UNL1 -0.4376 9 N -1.7944 0.4072 0.0015 N.ar 1 UNL1 -0.4300 10 C -3.1678 0.1001 0.0009 C.ar 1 UNL1 0.1008 11 C -4.3105 0.8945 0.0120 C.ar 1 UNL1 -0.1652 12 C -5.5309 0.2331 0.0078 C.ar 1 UNL1 -0.1236 13 C -5.6150 -1.1720 -0.0073 C.ar 1 UNL1 -0.1687 14 C -4.4819 -1.9725 -0.0192 C.ar 1 UNL1 -0.1131 15 C -3.2420 -1.3332 -0.0153 C.ar 1 UNL1 0.0579 16 N -1.9419 -1.8703 -0.0250 N.ar 1 UNL1 -0.3698 17 C -1.1011 -0.8427 -0.0150 C.ar 1 UNL1 0.2708 18 C 0.3495 -0.8468 -0.0185 C.ar 1 UNL1 -0.0206 19 C 1.0483 -2.0315 -0.0394 C.ar 1 UNL1 -0.0999 20 C 2.4597 -2.0100 -0.0421 C.ar 1 UNL1 -0.0731 21 C 3.1414 -0.8129 -0.0218 C.ar 1 UNL1 -0.1188 22 C 4.6163 -0.8405 -0.0319 C.2 1 UNL1 0.6415 23 O 5.0810 -2.0785 0.2912 O.3 1 UNL1 -0.5554 24 O 5.4005 0.0399 -0.2796 O.2 1 UNL1 -0.5042 25 H 4.1973 1.7306 0.0257 H 1 UNL1 0.1901 26 H 2.9020 3.8280 0.0536 H 1 UNL1 0.1660 27 H 0.4186 3.7874 0.0447 H 1 UNL1 0.1799 28 H -4.2382 1.9818 0.0235 H 1 UNL1 0.1874 29 H -6.4536 0.8145 0.0163 H 1 UNL1 0.1580 30 H -6.6002 -1.6375 -0.0098 H 1 UNL1 0.1571 31 H -4.5398 -3.0588 -0.0312 H 1 UNL1 0.1711 32 H 0.5162 -2.9900 -0.0529 H 1 UNL1 0.1934 33 H 2.9976 -2.9647 -0.0585 H 1 UNL1 0.1836 34 H 6.0701 -2.1347 0.2898 H 1 UNL1 0.3606 @BOND 1 24 22 2 2 33 20 1 3 32 19 1 4 20 19 ar 5 20 21 ar 6 19 18 ar 7 22 21 1 8 22 23 1 9 31 14 1 10 16 15 ar 11 16 17 ar 12 21 2 ar 13 14 15 ar 14 14 13 ar 15 18 17 ar 16 18 1 ar 17 15 10 ar 18 17 9 ar 19 30 13 1 20 13 12 ar 21 1 2 ar 22 1 6 ar 23 2 3 ar 24 10 9 ar 25 10 11 ar 26 9 7 ar 27 12 11 ar 28 12 29 1 29 11 28 1 30 6 7 ar 31 6 5 ar 32 7 8 2 33 3 25 1 34 3 4 ar 35 5 4 ar 36 5 27 1 37 4 26 1 38 34 23 1