@MOLECULE 2-amino-8-methyl-7,8-dihydro-4(1h)-pteridinone 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.5756 -2.5609 -0.0141 O.2 1 UNL1 -0.4408 2 C 1.1449 -1.4386 -0.0023 C.ar 1 UNL1 0.6487 3 C -0.1873 -0.9117 -0.0004 C.ar 1 UNL1 -0.3564 4 C -0.4139 0.4902 -0.0064 C.ar 1 UNL1 0.4737 5 N 0.6208 1.4065 0.0368 N.ar 1 UNL1 -0.6384 6 C 1.8757 0.9298 0.0174 C.ar 1 UNL1 0.6110 7 N 2.9004 1.8549 -0.0393 N.pl3 1 UNL1 -0.6075 8 N 2.1923 -0.4117 0.0130 N.ar 1 UNL1 -0.6340 9 N -1.2316 -1.8234 0.0101 N.2 1 UNL1 -0.1952 10 C -2.4386 -1.3816 0.0197 C.2 1 UNL1 -0.0801 11 C -2.8399 0.0812 0.0088 C.3 1 UNL1 -0.1119 12 N -1.6751 0.9817 -0.0905 N.pl3 1 UNL1 -0.3565 13 C -1.9571 2.4118 0.0236 C.3 1 UNL1 -0.2299 14 H 2.6575 2.8293 0.0314 H 1 UNL1 0.3267 15 H 3.8307 1.6033 0.2206 H 1 UNL1 0.3092 16 H -3.2646 -2.0963 0.0400 H 1 UNL1 0.1761 17 H -3.5063 0.2822 -0.8653 H 1 UNL1 0.1525 18 H -2.8631 2.6689 -0.5503 H 1 UNL1 0.1470 19 H -2.0941 2.7112 1.0780 H 1 UNL1 0.1465 20 H -1.1160 3.0098 -0.3856 H 1 UNL1 0.1826 21 H 3.1541 -0.7377 -0.0237 H 1 UNL1 0.3313 22 H -3.4212 0.3194 0.9316 H 1 UNL1 0.1455 @BOND 1 17 11 1 2 18 13 1 3 20 13 1 4 12 4 1 5 12 11 1 6 12 13 1 7 7 6 1 8 7 14 1 9 7 15 1 10 21 8 1 11 1 2 2 12 4 3 ar 13 4 5 ar 14 2 3 ar 15 2 8 ar 16 3 9 1 17 11 10 1 18 11 22 1 19 9 10 2 20 8 6 ar 21 6 5 ar 22 10 16 1 23 13 19 1