@MOLECULE 2-(methylamino)-3-oxo-3h-phenoxazine-8-carboxylic acid 20 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5912 1.8383 0.0502 O.3 1 UNL1 -0.1845 2 O -4.9487 2.7541 -0.2378 O.3 1 UNL1 -0.2697 3 O 6.5215 -0.5406 -1.1784 O.2 1 UNL1 -0.3250 4 O 5.5409 -1.5130 0.7059 O.2 1 UNL1 -0.3205 5 N -0.1652 -0.9823 0.1308 N.pl3 1 UNL1 -0.2288 6 N -4.4684 -2.9106 -0.0720 N.1 1 UNL1 -0.4761 7 C -1.3716 -0.4885 0.0462 C.2 1 UNL1 0.1595 8 C -1.6667 0.9624 -0.0011 C.2 1 UNL1 0.4136 9 C 0.8971 -0.1078 0.1810 C.ar 1 UNL1 0.0086 10 C 0.6555 1.3457 0.1368 C.ar 1 UNL1 0.2185 11 C -2.4763 -1.3548 -0.0008 C.1 1 UNL1 -0.1339 12 C -3.4321 -2.1088 -0.0359 C.1 1 UNL1 0.1955 13 C -2.8234 1.5623 -0.0848 C.1 1 UNL1 -0.6398 14 C 2.2428 -0.4093 0.2760 C.ar 1 UNL1 0.0593 15 C -3.9305 2.2011 -0.1650 C.1 1 UNL1 0.6032 16 C 1.7823 2.1317 0.1937 C.ar 1 UNL1 -0.1765 17 C 3.2359 0.3870 0.3188 C.ar 1 UNL1 -0.0795 18 C 2.9805 1.7066 0.2815 C.ar 1 UNL1 0.1283 19 C -5.4094 -3.6425 -0.0991 C.1 1 UNL1 0.4018 20 C 6.0311 -1.0271 -0.2364 C.1 1 UNL1 0.6459 @BOND 1 3 20 2 2 2 15 1 3 20 4 2 4 15 13 3 5 19 6 3 6 13 8 1 7 6 12 1 8 12 11 3 9 8 7 2 10 8 1 1 11 11 7 1 12 7 5 1 13 1 10 1 14 5 9 1 15 10 9 ar 16 10 16 ar 17 9 14 ar 18 16 18 ar 19 14 17 ar 20 18 17 ar