@MOLECULE 7h-purine-7-butanal, 2-amino-1,6-dihydro-6-oxo- 16 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8347 -2.4895 0.0063 O.2 1 UNL1 -0.3289 2 O 6.6714 -0.1404 -0.0038 O.3 1 UNL1 -0.1565 3 N 0.4559 -0.0368 0.0019 N.pl3 1 UNL1 0.1457 4 N -1.2002 2.2970 0.0027 N.1 1 UNL1 -0.5949 5 N -3.0416 0.9285 -0.0030 N.2 1 UNL1 -0.4757 6 N -2.8913 -1.5338 -0.0006 N.am 1 UNL1 -0.3283 7 N -4.9296 -0.4511 -0.0082 N.pl3 1 UNL1 -0.0649 8 C 1.6333 -0.0846 0.0015 C.1 1 UNL1 0.0215 9 C 2.9585 -0.0953 -0.0002 C.1 1 UNL1 0.1611 10 C -0.8414 -0.1237 0.0024 C.3 1 UNL1 -0.3557 11 C -1.7396 1.0302 -0.0000 C.2 1 UNL1 0.5189 12 C -0.8705 3.4434 0.0048 C.1 1 UNL1 0.4382 13 C 4.2094 -0.1070 -0.0012 C.1 1 UNL1 -0.3000 14 C -1.4740 -1.4668 0.0050 C.2 1 UNL1 0.5323 15 C -3.6289 -0.3692 -0.0043 C.2 1 UNL1 0.3323 16 C 5.5137 -0.1275 -0.0028 C.1 1 UNL1 0.4549 @BOND 1 7 15 1 2 15 5 2 3 15 6 1 4 2 16 1 5 5 11 2 6 16 13 3 7 13 9 1 8 6 14 am 9 9 8 3 10 11 10 1 11 11 4 1 12 8 3 1 13 3 10 1 14 10 14 1 15 4 12 3 16 14 1 2