@MOLECULE 3-methyl-7h-3lambda~5~-purin-6-amine 11 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.9609 -2.5025 0.4036 C.1 1 UNL1 0.4979 2 N 1.5983 -1.3643 0.2753 N.1 1 UNL1 -0.5532 3 C -3.2288 0.0571 1.2033 C.1 1 UNL1 0.4504 4 N -2.3302 -0.1209 0.4415 N.1 1 UNL1 -0.5848 5 C -1.3192 -0.2915 -0.4787 C.2 1 UNL1 0.3496 6 C -0.0929 0.4942 -0.2451 C.2 1 UNL1 0.0363 7 C 1.2786 -0.0800 0.1162 C.2 1 UNL1 0.3434 8 N 2.1442 0.9933 0.2442 N.2 1 UNL1 -0.4215 9 C 1.3586 2.0438 -0.0223 C.3 1 UNL1 0.4113 10 N 0.0192 1.8182 -0.3204 N.2 1 UNL1 -0.3366 11 N -1.3947 -1.0871 -1.4785 N.2 1 UNL1 -0.1929 @BOND 1 11 5 2 2 5 6 1 3 5 4 1 4 10 6 2 5 10 9 1 6 6 7 1 7 9 8 1 8 7 8 2 9 7 2 1 10 2 1 3 11 4 3 3