@MOLECULE 1-carboxy-2-amino-9-hydroxymethylphenoxazin-3-one 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.7123 -2.2408 0.0401 O.3 1 UNL1 -0.2109 2 O 2.3474 2.6903 0.7595 O.3 1 UNL1 -0.5369 3 O -3.9382 -2.2905 0.1620 O.2 1 UNL1 -0.4310 4 O -2.9100 2.5702 -0.4934 O.3 1 UNL1 -0.6420 5 O -0.8622 2.7912 0.3043 O.2 1 UNL1 -0.4789 6 N 0.6390 0.5863 -0.1532 N.pl3 1 UNL1 -0.3231 7 N -4.1688 0.3398 -0.0221 N.pl3 1 UNL1 -0.4822 8 C 1.8502 -0.1020 -0.1241 C.ar 1 UNL1 0.0128 9 C -0.4699 -0.0882 -0.0544 C.2 1 UNL1 0.1895 10 C -0.4666 -1.5660 0.0388 C.2 1 UNL1 0.2468 11 C 1.8727 -1.5026 -0.0298 C.ar 1 UNL1 0.1430 12 C 3.0750 0.5941 -0.1762 C.ar 1 UNL1 0.0322 13 C -1.7586 0.5722 -0.0413 C.2 1 UNL1 -0.3915 14 C -2.9258 -0.1701 -0.0038 C.2 1 UNL1 0.2411 15 C -1.5831 -2.3237 0.1116 C.3 1 UNL1 -0.4215 16 C 3.0541 -2.2402 -0.0051 C.ar 1 UNL1 -0.2195 17 C 4.2577 -0.1369 -0.1513 C.ar 1 UNL1 -0.2047 18 C -2.8836 -1.7028 0.0994 C.2 1 UNL1 0.4661 19 C 3.0992 2.0981 -0.2667 C.3 1 UNL1 0.0058 20 C 4.2492 -1.5347 -0.0700 C.ar 1 UNL1 -0.0804 21 C -1.7224 2.0265 -0.0395 C.2 1 UNL1 0.7048 22 H -1.5520 -3.4117 0.1787 H 1 UNL1 0.2108 23 H 3.0305 -3.3253 0.0650 H 1 UNL1 0.1796 24 H 5.2145 0.3847 -0.1862 H 1 UNL1 0.1662 25 H 4.1135 2.5149 -0.1035 H 1 UNL1 0.1440 26 H 2.7193 2.4326 -1.2548 H 1 UNL1 0.1355 27 H 5.1961 -2.0767 -0.0525 H 1 UNL1 0.1595 28 H -4.3234 1.3316 -0.1273 H 1 UNL1 0.3360 29 H -4.9726 -0.2650 0.0370 H 1 UNL1 0.3241 30 H 1.3770 2.5184 0.6252 H 1 UNL1 0.3586 31 H -2.8970 3.5537 -0.5184 H 1 UNL1 0.3661 @BOND 1 26 19 1 2 31 4 1 3 4 21 1 4 19 12 1 5 19 25 1 6 19 2 1 7 24 17 1 8 12 17 ar 9 12 8 ar 10 6 8 1 11 6 9 1 12 17 20 ar 13 28 7 1 14 8 11 ar 15 20 27 1 16 20 16 ar 17 9 13 1 18 9 10 2 19 13 21 1 20 13 14 2 21 21 5 2 22 11 16 ar 23 11 1 1 24 7 14 1 25 7 29 1 26 16 23 1 27 14 18 1 28 10 1 1 29 10 15 1 30 18 15 1 31 18 3 2 32 15 22 1 33 30 2 1