@MOLECULE 6-hydroxy-9-(4-aminobenzyl)purine 18 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.1426 0.1680 -0.2357 O.2 1 UNL1 -0.1964 2 N -0.5897 -1.0883 0.0381 N.ar 1 UNL1 -0.4313 3 N -1.1640 1.3088 0.3845 N.ar 1 UNL1 -0.3434 4 N -2.7616 -1.7872 -0.3303 N.ar 1 UNL1 -0.4251 5 N -3.5602 1.8050 0.1874 N.ar 1 UNL1 -0.4729 6 N 6.0606 0.9714 -0.2623 N.pl3 1 UNL1 -0.1397 7 C 0.7236 -1.0761 0.2667 C.3 1 UNL1 0.1615 8 C -1.4222 0.0639 0.1421 C.ar 1 UNL1 0.2341 9 C 1.9456 -0.6115 0.1334 C.ar 1 UNL1 -0.0043 10 C -2.8397 -0.5273 -0.1195 C.ar 1 UNL1 0.0322 11 C -1.3674 -2.2646 -0.2559 C.ar 1 UNL1 0.5976 12 C 2.4544 0.4882 -0.6569 C.ar 1 UNL1 -0.0003 13 C 3.1751 -1.0458 0.7469 C.ar 1 UNL1 0.0047 14 C -4.0012 0.4489 -0.0758 C.ar 1 UNL1 0.5206 15 C 3.6455 0.9440 -0.7575 C.ar 1 UNL1 -0.0386 16 C 4.3484 -0.6048 0.6391 C.ar 1 UNL1 -0.0769 17 C 4.8865 0.4997 -0.1348 C.ar 1 UNL1 0.1674 18 C -2.3486 2.0510 0.3659 C.ar 1 UNL1 0.4105 @BOND 1 15 12 ar 2 15 17 ar 3 12 9 ar 4 4 11 ar 5 4 10 ar 6 6 17 1 7 11 2 ar 8 1 14 2 9 17 16 ar 10 10 14 ar 11 10 8 ar 12 14 5 ar 13 2 8 ar 14 2 7 1 15 9 7 1 16 9 13 ar 17 8 3 ar 18 5 18 ar 19 18 3 ar 20 16 13 ar