@MOLECULE 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1h)-one 12 13 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.6891 1.3488 -0.0000 C.3 1 UNL1 0.4106 2 C -2.0664 -0.6417 0.0008 C.1 1 UNL1 0.6181 3 C 0.2754 -0.9351 -0.0020 C.ar 1 UNL1 0.1723 4 C 2.4933 -0.3210 0.0009 C.ar 1 UNL1 -0.6823 5 O -3.1658 -1.1085 -0.0001 O.2 1 UNL1 -0.2637 6 N -1.8830 0.7877 0.0030 N.2 1 UNL1 -0.4359 7 N -0.8929 -1.4689 0.0002 N.am 1 UNL1 -0.4306 8 C 1.6683 -1.5345 0.0013 C.ar 1 UNL1 0.3323 9 C 3.8350 -0.4222 0.0037 C.3 1 UNL1 0.7000 10 N 1.7480 0.8867 -0.0025 N.ar 1 UNL1 -0.0643 11 N 0.4541 0.5012 -0.0067 N.ar 1 UNL1 -0.3394 12 N -0.5405 2.7083 0.0021 N.3 1 UNL1 -0.0171 @BOND 1 11 10 ar 2 11 3 ar 3 11 1 1 4 10 4 ar 5 3 7 1 6 3 8 ar 7 5 2 2 8 1 12 1 9 1 6 1 10 7 2 am 11 2 6 2 12 4 8 ar 13 4 9 1