pm3 force thermo rot=1 nomm charge=-2 thymidine nucleotide C 0.000000 0 0.000000 0 0.000000 0 0 0 0 C 1.348663 1 0.000000 0 0.000000 0 1 0 0 C 2.794174 1 57.199600 1 0.000000 0 1 2 0 N 1.368454 1 58.670120 1 177.674957 1 3 1 2 C 1.482681 1 117.960968 1 2.002060 1 1 2 3 O 1.221268 1 124.841431 1 179.162949 1 5 1 2 O 1.206284 1 118.053635 1 184.295639 1 3 4 5 C 1.506714 1 122.860336 1 180.315979 1 1 2 5 N 1.353790 1 124.710281 1 0.000000 1 2 1 5 C 5.719116 1 13.428696 1 70.811905 1 1 2 9 C 1.526779 1 13.460175 1 81.850357 1 10 1 2 C 1.474335 1 120.053955 1 179.451462 1 9 2 1 O 1.422470 1 116.042831 1 165.456238 1 12 9 2 C 1.519882 1 103.998962 1 352.537277 1 10 11 12 O 1.428513 1 110.524475 1 111.026306 1 10 11 12 C 1.519394 1 113.236450 1 220.595078 1 14 10 11 O 1.419296 1 109.672943 1 185.991700 1 16 14 10 P 1.628128 1 118.892929 1 163.945511 1 17 16 14 O 1.482117 1 108.408752 1 49.327728 1 18 17 16 O 1.483841 1 106.056992 1 282.076828 1 18 17 16 O 1.737061 1 107.999603 1 166.330505 1 18 17 16 H 1.100372 1 118.127075 1 179.552872 1 2 1 5 H 1.006973 1 116.215942 1 2.192657 1 4 3 7 H 1.113525 1 110.160782 1 240.049210 1 8 1 2 H 1.113678 1 110.048874 1 120.517319 1 8 1 2 H 1.112793 1 112.654190 1 0.316483 1 8 1 2 H 1.113449 1 111.445953 1 230.974350 1 10 11 12 H 1.113098 1 112.314972 1 229.947952 1 11 10 14 H 1.116348 1 109.330231 1 109.382690 1 11 10 14 H 1.118149 1 107.510010 1 285.182220 1 12 9 2 H 1.117722 1 109.980682 1 97.980530 1 14 10 11 H 0.942230 1 107.183044 1 183.902222 1 15 10 11 H 1.114441 1 110.762268 1 65.127441 1 16 14 10 H 1.115707 1 108.242645 1 305.382965 1 16 14 10