@MOLECULE (r)-9-(2-hydroxypropyl)adenine 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.0133 0.1655 0.3685 C.3 1 UNL1 0.1527 2 C -0.4372 1.8141 -0.3622 C.ar 1 UNL1 0.1040 3 C 1.8516 -1.9986 -0.2566 C.ar 1 UNL1 0.2958 4 C -2.0973 -0.0801 -0.8567 C.3 1 UNL1 -0.1059 5 C -4.4752 -0.0849 0.0122 C.3 1 UNL1 -0.5056 6 H -3.0808 -0.7285 2.1421 H 1 UNL1 0.3161 7 H 4.6228 0.5152 0.8086 H 1 UNL1 0.3225 8 H 3.6058 1.9106 0.7187 H 1 UNL1 0.3265 9 C 2.6786 0.1435 0.2456 C.ar 1 UNL1 0.4683 10 O -2.5692 -0.7888 1.3119 O.3 1 UNL1 -0.5405 11 N 3.7264 0.9212 0.6260 N.pl3 1 UNL1 -0.5579 12 N 0.8421 1.9508 -0.0173 N.ar 1 UNL1 -0.3331 13 N 0.5934 -1.6146 -0.5435 N.ar 1 UNL1 -0.4981 14 N 2.8827 -1.2014 0.1284 N.ar 1 UNL1 -0.5751 15 C 0.3779 -0.2797 -0.4089 C.ar 1 UNL1 0.2939 16 C 1.3890 0.6714 -0.0303 C.ar 1 UNL1 -0.2083 17 N -0.7695 0.4627 -0.6327 N.ar 1 UNL1 -0.3070 18 H -1.1533 2.6131 -0.4606 H 1 UNL1 0.1920 19 H -2.0112 -1.1881 -1.0320 H 1 UNL1 0.2035 20 H -2.5344 0.3716 -1.7748 H 1 UNL1 0.1551 21 H 2.0791 -3.0758 -0.3410 H 1 UNL1 0.2006 22 H -2.8607 1.1809 0.7969 H 1 UNL1 0.1203 23 H -4.6324 -1.1293 -0.2918 H 1 UNL1 0.1698 24 H -5.1326 0.0977 0.8702 H 1 UNL1 0.1545 25 H -4.8186 0.5578 -0.8048 H 1 UNL1 0.1558 @BOND 1 20 4 1 2 19 4 1 3 4 17 1 4 4 1 1 5 25 5 1 6 17 15 ar 7 17 2 ar 8 13 15 ar 9 13 3 ar 10 18 2 1 11 15 16 ar 12 2 12 ar 13 21 3 1 14 23 5 1 15 3 14 ar 16 16 12 ar 17 16 9 ar 18 5 1 1 19 5 24 1 20 14 9 ar 21 9 11 1 22 1 22 1 23 1 10 1 24 11 8 1 25 11 7 1 26 10 6 1