@MOLECULE 1-methyladenosine 20 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O5* 4.2329 -2.7497 0.1570 O.2 1 UNL1 -0.1392 2 O2* 2.1454 2.8034 0.0221 O.2 1 UNL1 -0.2159 3 O3* 4.5945 1.1217 0.2622 O.2 1 UNL1 -0.3324 4 O4* 1.5612 -0.6755 -0.0540 O.2 1 UNL1 -0.2255 5 N -4.1157 -0.9815 0.9142 N.1 1 UNL1 -0.5812 6 N -0.1586 0.8947 -0.1834 N.2 1 UNL1 -0.3906 7 N -4.2589 -0.6641 -1.4022 N.2 1 UNL1 -0.1982 8 N -0.9922 -1.3415 -0.5176 N.1 1 UNL1 -0.6123 9 N -2.8006 1.8031 0.0112 N.1 1 UNL1 -0.5315 10 C5* 3.6271 -1.7720 0.1170 C.1 1 UNL1 0.5295 11 C -4.4984 -1.4545 1.9361 C.1 1 UNL1 0.4212 12 C1* 1.0792 0.6229 -0.0837 C.3 1 UNL1 0.2878 13 C4* 2.9629 -0.6204 0.0745 C.2 1 UNL1 -0.3287 14 C2* 2.2137 1.6188 0.0269 C.2 1 UNL1 0.3118 15 C3* 3.4694 0.7365 0.1425 C.2 1 UNL1 0.3932 16 C -3.6958 -0.4320 -0.2809 C.2 1 UNL1 0.3231 17 C -1.2288 0.0013 -0.2883 C.2 1 UNL1 0.3485 18 C -2.5064 0.4868 -0.1851 C.3 1 UNL1 0.1167 19 C -0.7673 -2.4873 -0.7512 C.1 1 UNL1 0.4164 20 C -2.9775 2.9712 0.1496 C.1 1 UNL1 0.4073 @BOND 1 7 16 2 2 19 8 3 3 8 17 1 4 17 18 1 5 17 6 2 6 16 18 1 7 16 5 1 8 18 9 1 9 6 12 1 10 12 4 1 11 12 14 1 12 4 13 1 13 9 20 3 14 2 14 2 15 14 15 1 16 13 10 2 17 13 15 1 18 10 1 2 19 15 3 2 20 5 11 3