@MOLECULE 9-(2-deoxy-5-o-phosphonopentofuranosyl)-9h-purine 21 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.4945 -1.2597 -0.1220 P.3 1 UNL1 0.4247 2 O 0.0462 0.7404 -0.0352 O.2 1 UNL1 -0.1932 3 O 1.3778 4.0049 0.5004 O.2 1 UNL1 -0.3994 4 O 3.3266 0.3441 0.0797 O.3 1 UNL1 -0.1908 5 O 3.3520 -1.7789 -1.5091 O.2 1 UNL1 -0.1030 6 O 2.3720 -1.9686 0.5829 O.3 1 UNL1 -0.0427 7 O 4.9669 -1.4426 0.1159 O.3 1 UNL1 -0.0326 8 N -2.3011 0.9338 -0.2022 N.ar 1 UNL1 -0.4508 9 N -4.4785 0.5809 -0.8930 N.ar 1 UNL1 -0.4306 10 N -1.9537 -1.3919 0.7338 N.ar 1 UNL1 -0.4343 11 N -3.9280 -2.8256 0.4910 N.ar 1 UNL1 -0.3574 12 C 0.7071 3.0278 0.3164 C.2 1 UNL1 0.4840 13 C -1.0840 1.5664 0.0095 C.2 1 UNL1 0.2721 14 C 1.1571 1.6207 0.1408 C.3 1 UNL1 -0.2845 15 C -0.7224 2.8386 0.2070 C.2 1 UNL1 -0.1355 16 C 2.3853 1.1405 0.1369 C.3 1 UNL1 0.3638 17 C -2.6061 -0.3700 0.1233 C.ar 1 UNL1 0.2756 18 C -3.4500 1.5843 -0.8484 C.ar 1 UNL1 0.5425 19 C -4.0506 -0.5431 -0.3538 C.ar 1 UNL1 -0.0368 20 C -4.5177 -1.8424 -0.0799 C.ar 1 UNL1 0.2821 21 C -2.6342 -2.4881 0.8652 C.ar 1 UNL1 0.4468 @BOND 1 5 1 2 2 9 18 ar 3 9 19 ar 4 18 8 ar 5 19 20 ar 6 19 17 ar 7 8 13 1 8 8 17 ar 9 1 4 1 10 1 7 1 11 1 6 1 12 20 11 ar 13 2 13 1 14 2 14 1 15 13 15 2 16 4 16 1 17 17 10 ar 18 16 14 1 19 14 12 1 20 15 12 1 21 12 3 2 22 11 21 ar 23 10 21 ar