@MOLECULE 9-oxo-imidazo(1,2-a)purine 18 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1243 2.5181 -0.0015 O.2 1 UNL1 -0.4382 2 N 1.1812 0.4874 -0.0005 N.ar 1 UNL1 -0.3961 3 N -0.0091 -1.6592 -0.0023 N.ar 1 UNL1 -0.4060 4 N -2.5133 0.8780 0.0011 N.ar 1 UNL1 -0.2814 5 N -2.4607 -1.3913 0.0006 N.ar 1 UNL1 -0.4294 6 N 2.4310 -1.4214 0.0005 N.ar 1 UNL1 -0.4071 7 C -1.1657 0.5070 -0.0005 C.ar 1 UNL1 -0.2843 8 C -1.1608 -0.9170 -0.0010 C.ar 1 UNL1 0.3219 9 C 1.1799 -0.9389 -0.0010 C.ar 1 UNL1 0.3739 10 C 0.0207 1.3186 -0.0010 C.ar 1 UNL1 0.6211 11 C 2.5366 0.8677 0.0015 C.ar 1 UNL1 -0.0871 12 C -3.2528 -0.2884 0.0020 C.ar 1 UNL1 0.1656 13 C 3.2755 -0.3048 0.0020 C.ar 1 UNL1 -0.0360 14 H -0.0036 -2.6731 -0.0028 H 1 UNL1 0.3624 15 H -2.8298 1.8256 0.0025 H 1 UNL1 0.3359 16 H 2.8245 1.9011 0.0024 H 1 UNL1 0.1977 17 H -4.3343 -0.3200 0.0037 H 1 UNL1 0.2000 18 H 4.3411 -0.4460 0.0036 H 1 UNL1 0.1870 @BOND 1 14 3 1 2 3 9 ar 3 3 8 ar 4 1 10 2 5 10 7 ar 6 10 2 ar 7 9 2 ar 8 9 6 ar 9 8 7 ar 10 8 5 ar 11 7 4 ar 12 2 11 ar 13 6 13 ar 14 5 12 ar 15 4 12 ar 16 4 15 1 17 11 13 ar 18 11 16 1 19 13 18 1 20 12 17 1