@MOLECULE 2-amino-7-(2-chloroethyl)-1,7-dihydro-6h-purin-6-one 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -4.2086 0.5866 0.2958 Cl 1 UNL1 -0.1333 2 O -0.1139 1.9983 -0.5540 O.2 1 UNL1 -0.4523 3 N -0.6435 -1.0466 -0.3691 N.ar 1 UNL1 -0.1986 4 N 2.8479 -0.7478 0.2355 N.ar 1 UNL1 -0.4975 5 N 1.0570 -2.4660 0.1078 N.ar 1 UNL1 -0.4193 6 N 2.0860 1.5256 -0.1368 N.ar 1 UNL1 -0.6174 7 N 4.3060 1.1065 0.4563 N.pl3 1 UNL1 -0.6026 8 C 0.4962 -0.2665 -0.2327 C.ar 1 UNL1 -0.2557 9 C -1.9717 -0.5200 -0.6422 C.3 1 UNL1 -0.0971 10 C 1.5424 -1.1744 0.0585 C.ar 1 UNL1 0.2629 11 C -0.2728 -2.3638 -0.1502 C.ar 1 UNL1 0.1189 12 C 0.7370 1.1724 -0.3295 C.ar 1 UNL1 0.6308 13 C -2.5058 0.2050 0.5973 C.3 1 UNL1 -0.2099 14 C 3.0268 0.6502 0.1557 C.ar 1 UNL1 0.5849 15 H -2.6474 -1.3508 -0.9564 H 1 UNL1 0.1665 16 H -1.9096 0.1971 -1.5066 H 1 UNL1 0.1942 17 H -0.9509 -3.2026 -0.1898 H 1 UNL1 0.2001 18 H 3.5512 -1.3897 0.5722 H 1 UNL1 0.3403 19 H -2.4616 -0.4077 1.5110 H 1 UNL1 0.1624 20 H -1.9780 1.1650 0.7749 H 1 UNL1 0.1943 21 H 5.0965 0.5333 0.2338 H 1 UNL1 0.3004 22 H 4.4542 2.1027 0.3404 H 1 UNL1 0.3281 @BOND 1 16 9 1 2 15 9 1 3 9 3 1 4 9 13 1 5 2 12 2 6 3 8 ar 7 3 11 ar 8 12 8 ar 9 12 6 ar 10 8 10 ar 11 17 11 1 12 11 5 ar 13 6 14 ar 14 10 5 ar 15 10 4 ar 16 14 4 ar 17 14 7 1 18 21 7 1 19 4 18 1 20 1 13 1 21 22 7 1 22 13 20 1 23 13 19 1