@MOLECULE 3-amino-2,3-dihydro-4h-[1,2,3]triazino[5,4-b]indol-4-one 22 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.6095 -1.8929 -0.1869 O.2 1 UNL1 -0.3921 2 N 0.4558 -1.5940 0.0462 N.ar 1 UNL1 -0.2412 3 N -2.6769 0.3331 0.3121 N.am 1 UNL1 -0.2679 4 N -0.7941 1.7476 -0.0238 N.pl3 1 UNL1 -0.0871 5 N -2.1091 1.5710 -0.1564 N.3 1 UNL1 -0.1367 6 N -4.0593 0.3797 0.0102 N.3 1 UNL1 -0.4360 7 C 1.4333 0.5629 -0.0114 C.ar 1 UNL1 -0.0412 8 C -0.0157 0.7045 0.0020 C.ar 1 UNL1 -0.0408 9 C -0.5101 -0.7154 0.0354 C.ar 1 UNL1 0.0207 10 C 1.6801 -0.8520 0.0282 C.ar 1 UNL1 0.0764 11 C -1.9655 -0.8933 -0.0199 C.2 1 UNL1 0.5202 12 C 2.4827 1.4579 -0.0428 C.ar 1 UNL1 -0.1153 13 C 2.9695 -1.3548 0.0411 C.ar 1 UNL1 -0.1139 14 C 3.7847 0.9412 -0.0289 C.ar 1 UNL1 -0.1413 15 C 4.0217 -0.4326 0.0124 C.ar 1 UNL1 -0.1436 16 H 2.3038 2.5313 -0.0783 H 1 UNL1 0.1684 17 H 3.1510 -2.4284 0.0720 H 1 UNL1 0.1772 18 H -2.6662 2.3686 0.2115 H 1 UNL1 0.3397 19 H 4.6290 1.6302 -0.0514 H 1 UNL1 0.1562 20 H 5.0484 -0.7991 0.0218 H 1 UNL1 0.1567 21 H -4.2863 -0.1619 -0.8271 H 1 UNL1 0.2637 22 H -4.5455 -0.0324 0.8119 H 1 UNL1 0.2781 @BOND 1 21 6 1 2 1 11 2 3 5 4 1 4 5 18 1 5 5 3 1 6 16 12 1 7 19 14 1 8 12 14 ar 9 12 7 ar 10 14 15 ar 11 4 8 1 12 11 9 1 13 11 3 am 14 7 8 ar 15 7 10 ar 16 8 9 ar 17 6 3 1 18 6 22 1 19 15 20 1 20 15 13 ar 21 10 13 ar 22 10 2 ar 23 9 2 ar 24 13 17 1