    1    0    2
di.dat
D-INOSINE - with 5' - phosphate group and 3' - O(minus) group

 DI   INT     1
 CORRECT OMIT DU   BEG
   0.0
   1   DUMM  DU    M    0  -1  -2    0.00      0.00      0.00       0.0000
   2   DUMM  DU    M    1   0  -1    1.00      0.00      0.00       0.0000
   3   DUMM  DU    M    2   1   0    1.00     90.00      0.00       0.0000
   4   P     P     M    3   2   1    1.60    119.04    200.00       1.1659
   5   O1P   O2    E    4   3   2    1.48    109.61    150.00      -0.7761
   6   O2P   O2    E    4   3   2    1.48    109.58     20.00      -0.7761
   7   O5'   OS    M    4   3   2    1.60    101.43    -98.89      -0.4954
   8   C5'   CI    M    7   4   3    1.44    119.00    -39.22      -0.0069
   9   H5'1  H1    E    8   7   4    1.09    109.50     60.00       0.0754
  10   H5'2  H1    E    8   7   4    1.09    109.50    -60.00       0.0754
  11   C4'   CT    M    8   7   4    1.52    110.00    180.00       0.1629
  12   H4'   H1    E   11   8   7    1.09    109.50   -200.00       0.1176
  13   O4'   OS    S   11   8   7    1.46    108.86    -86.31      -0.3691
  14   C1'   CT    B   13  11   8    1.42    110.04    105.60       0.0358
  15   H1'   H2    E   14  13  11    1.09    109.50   -240.00       0.1746
  16   N9    N*    S   14  13  11    1.49    108.06   -127.70    -0.009401
  17   C8    CK    B   16  14  13    1.38    129.20     81.59      0.07763
  18   H8    H5    E   17  16  14    1.08    120.00      0.00     0.211563
  19   N7    NB    S   17  16  14    1.31    114.00   -179.90     -0.53829
  20   C5    CB    S   19  17  16    1.39    103.90      0.00     0.049936
  21   C6    C     B   20  19  17    1.42    130.40    180.00     0.586826
  22   O6    O     E   21  20  19    1.23    128.80      0.00    -0.581501
  23   N1    NA    B   21  20  19    1.40    111.38    180.00    -0.497411
  24   H1    H     E   23  21  20    1.00    117.36    179.90     0.331128
  25   C2    CA    B   23  21  20    1.33    118.80      0.00     0.421687
  26   H2    H5    E   25  23  21    1.08    120.00    180.00     0.144911
  27   N3    NC    S   25  23  21    1.33    123.30      0.00    -0.715215
  28   C4    CB    E   27  25  23    1.36    112.20      0.00     0.429337
  29   C3'   CT    M   11   8   7    1.53    115.78   -329.11       0.0713
  30   H3'   H1    E   29  11   8    1.09    109.50     30.00       0.0985
  31   C2'   CT    B   29  11   8    1.53    102.80    -86.30      -0.0854
  32   H2'1  HC    E   31  29  11    1.09    109.50    120.00       0.0718
  33   H2'2  HC    E   31  29  11    1.09    109.50    240.00       0.0718
  34   O3'   OS    M   29  11   8    1.42    116.52   -203.47      -0.5232

IMPROPER
 C8   C4   N9   C1'
 C5   N1   C6   O6
 C6   C2   N1   H1
 N7   N9   C8   H8
 N1   N3   C2   H2

LOOP CLOSING EXPLICIT
 C1'  C2'
 C4   C5
 C4   N9

DONE
STOP
