@MOLECULE 2'-deoxyinosine 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 2.0674 0.2735 -0.0031 O.2 1 UNL1 -0.2611 2 O3* 5.3124 -1.0964 -0.0099 O.2 1 UNL1 -0.3246 3 O5* 4.4658 2.6803 0.0270 O.2 1 UNL1 -0.1321 4 O -3.7546 -1.8748 0.0445 O.2 1 UNL1 -0.4330 5 N 0.5855 -1.5006 -0.0114 N.2 1 UNL1 -0.1711 6 N -3.1199 2.8084 -0.0199 N.1 1 UNL1 -0.2174 7 N -1.5478 -0.2305 -0.0022 N.3 1 UNL1 0.0909 8 N -5.1638 -0.1074 -0.0026 N.am 1 UNL1 -0.6607 9 C1* 1.8020 -1.0996 -0.0104 C.2 1 UNL1 0.1293 10 C3* 4.1302 -0.8889 -0.0078 C.2 1 UNL1 0.2640 11 C2* 3.0246 -1.9596 -0.0155 C.3 1 UNL1 0.3467 12 C4* 3.4645 0.4129 0.0023 C.2 1 UNL1 -0.3404 13 C5* 3.9799 1.6367 0.0160 C.1 1 UNL1 0.5223 14 C -2.9534 1.6624 -0.0116 C.1 1 UNL1 0.1408 15 C -0.5008 -0.7581 -0.0079 C.3 1 UNL1 0.1570 16 C -2.7602 0.2650 -0.0001 C.3 1 UNL1 -0.2267 17 C -3.8970 -0.6778 0.0166 C.2 1 UNL1 0.6847 18 C -6.2854 0.2991 -0.0174 C.1 1 UNL1 0.4314 @BOND 1 6 14 3 2 18 8 3 3 11 9 1 4 11 10 1 5 14 16 1 6 5 9 2 7 5 15 1 8 9 1 1 9 2 10 2 10 15 7 1 11 10 12 1 12 1 12 1 13 8 17 am 14 7 16 1 15 16 17 1 16 12 13 2 17 13 3 2 18 17 4 2