@MOLECULE 3-(beta-d-ribofuranosyl)adenine 19 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.3247 0.7474 0.0047 O.2 1 UNL1 -0.0163 2 O2* 1.3670 -2.7815 0.0024 O.2 1 UNL1 -0.2582 3 O3* 4.0801 -1.4978 -0.0040 O.2 1 UNL1 -0.3316 4 O5* 4.2794 2.4026 -0.0039 O.2 1 UNL1 -0.1258 5 N -0.6414 -0.4417 0.0024 N.ar 1 UNL1 -0.0955 6 N -2.6694 -1.8023 -0.0014 N.ar 1 UNL1 -0.3177 7 N -1.0466 2.0331 0.0010 N.ar 1 UNL1 -0.3977 8 N -3.3892 1.8665 0.0010 N.ar 1 UNL1 -0.3089 9 N -4.8579 -0.9108 -0.0065 N.pl3 1 UNL1 -0.0724 10 C2* 1.6353 -1.6206 0.0021 C.2 1 UNL1 0.3269 11 C1* 0.7078 -0.4695 0.0049 C.3 1 UNL1 0.0402 12 C3* 3.0215 -0.9459 -0.0012 C.2 1 UNL1 0.4105 13 C4* 2.7198 0.4746 0.0000 C.2 1 UNL1 -0.3784 14 C5* 3.5413 1.5213 -0.0022 C.1 1 UNL1 0.5501 15 C -1.4195 0.6830 0.0010 C.ar 1 UNL1 0.0187 16 C -1.4592 -1.5887 0.0011 C.ar 1 UNL1 0.3440 17 C -2.9136 0.6168 0.0003 C.ar 1 UNL1 0.0195 18 C -3.6279 -0.6684 -0.0022 C.ar 1 UNL1 0.2304 19 C -2.2277 2.6332 0.0012 C.ar 1 UNL1 0.3621 @BOND 1 9 18 1 2 3 12 2 3 4 14 2 4 18 6 ar 5 18 17 ar 6 14 13 2 7 6 16 ar 8 12 13 1 9 12 10 1 10 13 1 1 11 17 8 ar 12 17 15 ar 13 8 19 ar 14 15 7 ar 15 15 5 ar 16 7 19 ar 17 16 5 ar 18 10 2 2 19 10 11 1 20 5 11 1 21 1 11 1