    1    0    1
na.amberua.db4
D-ADENOSINE - with 5' - OH end group and 3' - O(minus)

 DA5  INT     1
 CORRECT NOMIT DU   BEG
   0.0
   1  DUMM  DU    M    0  -1  -2     0.000     0.000     0.000   0.00000
   2  DUMM  DU    M    1   0  -1     1.000     0.000     0.000   0.00000
   3  DUMM  DU    M    2   1   0     1.000    90.000     0.000   0.00000
   4  H5T   HO    M    3   2   1      1.00    120.00    180.00   0.28500
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.42500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N9    N*    S    8   7   6     1.520   109.590  -127.700  -0.45700
  10  C8    CE    S    9   8   7     1.370   131.200    81.590   0.48800
  11  N7    NB    S   10   9   8     1.300   113.930   177.000  -0.59900
  12  C5    CB    S   11  10   9     1.390   104.000     0.000  -0.15100
  13  C6    CA    B   12  11  10     1.400   132.420   180.000   0.81300
  14  N6    N2    B   13  12  11     1.340   123.500     0.000  -0.79300
  15  H61   H2    E   14  13  12     1.010   120.000     0.000   0.33500
  16  H62   H2    E   14  13  12     1.010   120.000   180.000   0.33900
  17  N1    NC    S   13  12  11     1.340   117.430   180.000  -0.76000
  18  C2    CI    S   17  13  12     1.330   118.800     0.000   0.57100
  19  N3    NC    S   18  17  13     1.320   129.170     0.000  -0.71700
  20  C4    CB    E   19  18  17     1.350   110.800     0.000   0.69500
  21  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  22  C2'   C2    E   21   6   5     1.530   102.800   -86.300  -0.04700
  23  O3'   OS    M   21   6   5     1.420   116.520  -203.470  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
D-ADENOSINE - with 5' - phosphate group and 3' - O(minus) group 

 DA   INT     1
 CORRECT OMIT DU   BEG
   0.0
   1  DUMM  DU    M    0  -1  -2     0.000     0.000     0.000   0.00000
   2  DUMM  DU    M    1   0  -1     1.000     0.000     0.000   0.00000
   3  DUMM  DU    M    2   1   0     1.000    90.000     0.000   0.00000
   4  P     P     M    3   2   1     1.600   119.040  -200.850   1.42900
   5  O1P   O2    E    4   3   2     1.480   109.610  -214.890  -0.85000
   6  O2P   O2    E    4   3   2     1.480   109.580  -342.910  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N9    N*    S    8   7   6     1.520   109.590  -127.700  -0.45700
  10  C8    CE    S    9   8   7     1.370   131.200    81.590   0.48800
  11  N7    NB    S   10   9   8     1.300   113.930   177.000  -0.59900
  12  C5    CB    S   11  10   9     1.390   104.000     0.000  -0.15100
  13  C6    CA    B   12  11  10     1.400   132.420   180.000   0.81300
  14  N6    N2    B   13  12  11     1.340   123.500     0.000  -0.79300
  15  H61   H2    E   14  13  12     1.010   120.000     0.000   0.33500
  16  H62   H2    E   14  13  12     1.010   120.000   180.000   0.33900
  17  N1    NC    S   13  12  11     1.340   117.430   180.000  -0.76000
  18  C2    CI    S   17  13  12     1.330   118.800     0.000   0.57100
  19  N3    NC    S   18  17  13     1.320   129.170     0.000  -0.71700
  20  C4    CB    E   19  18  17     1.350   110.800     0.000   0.69500
  21  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  22  C2'   C2    E   21   6   5     1.530   102.800   -86.300  -0.04700
  23  O3'   OS    M   21   6   5     1.420   116.520  -203.470  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
D-ADENOSINE - with 5' - phosphate group and 3' - OH group

 DA3  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     1.600   119.040  -200.850   1.42900
   5  OA    O2    E    4   3   2     1.480   109.610  -214.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.580  -342.910  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N9    N*    S    8   7   6     1.520   109.590  -127.700  -0.45700
  10  C8    CE    S    9   8   7     1.370   131.200    81.590   0.48800
  11  N7    NB    S   10   9   8     1.300   113.930   177.000  -0.59900
  12  C5    CB    S   11  10   9     1.390   104.000     0.000  -0.15100
  13  C6    CA    B   12  11  10     1.400   132.420   180.000   0.81300
  14  N6    N2    B   13  12  11     1.340   123.500     0.000  -0.79300
  15  H61   H2    E   14  13  12     1.010   120.000     0.000   0.33500
  16  H62   H2    E   14  13  12     1.010   120.000   180.000   0.33900
  17  N1    NC    S   13  12  11     1.340   117.430   180.000  -0.76000
  18  C2    CI    S   17  13  12     1.330   118.800     0.000   0.57100
  19  N3    NC    S   18  17  13     1.320   129.170     0.000  -0.71700
  20  C4    CB    E   19  18  17     1.350   110.800     0.000   0.69500
  21  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  22  C2'   C2    E   21   6   5     1.530   102.800   -86.300  -0.04700
  23  O3'   OS    M   21   6   5     1.420   116.520  -203.470  -0.51400
   4  H3T   HO    M    3   2   1     0.960   114.970  -211.370   0.31300


IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
R-ADENOSINE - with 5' - OH end group and 3' - O(minus)

 RA5  INT     1
 CORRECT NOMIT 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  H5T   HO    M    3   2   1     1.000   120.000   180.000   0.28500
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.42500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N9    N*    S    8   7   6     1.520   109.590  -119.920  -0.45700
  10  C8    CE    S    9   8   7     1.370   131.200    13.450   0.48800
  11  N7    NB    S   10   9   8     1.300   113.930   177.000  -0.59900
  12  C5    CB    S   11  10   9     1.390   104.000     0.000  -0.15100
  13  C6    CA    B   12  11  10     1.400   132.420   180.000   0.81300
  14  N6    N2    B   13  12  11     1.340   123.500     0.000  -0.79300
  15  H61   H2    E   14  13  12     1.010   120.000     0.000   0.33500
  16  H62   H2    E   14  13  12     1.010   120.000   180.000   0.33900
  17  N1    NC    S   13  12  11     1.340   117.430   180.000  -0.76000
  18  C2    CI    S   17  13  12     1.330   118.800     0.000   0.57100
  19  N3    NC    S   18  17  13     1.320   129.170     0.000  -0.71700
  20  C4    CB    E   19  18  17     1.350   110.800     0.000   0.69500
  21  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  22  C2'   CH    S   21   6   5     1.530   102.080  -155.280   0.08200
  23  O2'   OH    S   22  21   6     1.420   110.780   -76.400  -0.51200
  24  HO2'  HO    E   23  22  21     0.960   109.470   180.000   0.31600
  25  O3'   OS    M   21   6   5     1.420   111.950    83.180  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C3'  C1'  C2'  O2'

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
R-ADENOSINE - with 5' - phosphate group and 3' - O(minus) group 

 RA   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     1.600   119.040  -213.190   1.42900
   5  OA    O2    E    4   3   2     1.480   109.580  -194.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.650  -332.610  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N9    N*    S    8   7   6     1.520   109.590  -119.920  -0.45700
  10  C8    CE    S    9   8   7     1.370   131.200    13.450   0.48800
  11  N7    NB    S   10   9   8     1.300   113.930   177.000  -0.59900
  12  C5    CB    S   11  10   9     1.390   104.000     0.000  -0.15100
  13  C6    CA    B   12  11  10     1.400   132.420   180.000   0.81300
  14  N6    N2    B   13  12  11     1.340   123.500     0.000  -0.79300
  15  H61   H2    E   14  13  12     1.010   120.000     0.000   0.33500
  16  H62   H2    E   14  13  12     1.010   120.000   180.000   0.33900
  17  N1    NC    S   13  12  11     1.340   117.430   180.000  -0.76000
  18  C2    CI    S   17  13  12     1.330   118.800     0.000   0.57100
  19  N3    NC    S   18  17  13     1.320   129.170     0.000  -0.71700
  20  C4    CB    E   19  18  17     1.350   110.800     0.000   0.69500
  21  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  22  C2'   CH    S   21   6   5     1.530   102.080  -155.280   0.08200
  23  O2'   OH    S   22  21   6     1.420   110.780   -76.400  -0.51200
  24  HO2'  HO    E   23  22  21     0.960   109.470   180.000   0.31600
  25  O3'   OS    M   21   6   5     1.420   111.950    83.180  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C3'  C1'  C2'  O2'

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
R-ADENOSINE - with 5' - phosphate group and 3' - OH group

 RA3  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     1.600   119.040  -213.190   1.42900
   5  OA    O2    E    4   3   2     1.480   109.580  -194.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.650  -332.610  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N9    N*    S    8   7   6     1.520   109.590  -119.920  -0.45700
  10  C8    CE    S    9   8   7     1.370   131.200    13.450   0.48800
  11  N7    NB    S   10   9   8     1.300   113.930   177.000  -0.59900
  12  C5    CB    S   11  10   9     1.390   104.000     0.000  -0.15100
  13  C6    CA    B   12  11  10     1.400   132.420   180.000   0.81300
  14  N6    N2    B   13  12  11     1.340   123.500     0.000  -0.79300
  15  H61   H2    E   14  13  12     1.010   120.000     0.000   0.33500
  16  H62   H2    E   14  13  12     1.010   120.000   180.000   0.33900
  17  N1    NC    S   13  12  11     1.340   117.430   180.000  -0.76000
  18  C2    CI    S   17  13  12     1.330   118.800     0.000   0.57100
  19  N3    NC    S   18  17  13     1.320   129.170     0.000  -0.71700
  20  C4    CB    E   19  18  17     1.350   110.800     0.000   0.69500
  21  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  22  C2'   CH    S   21   6   5     1.530   102.080  -155.280   0.08200
  23  O2'   OH    S   22  21   6     1.420   110.780   -76.400  -0.51200
  24  HO2'  HO    E   23  22  21     0.960   109.470   180.000   0.31600
  25  O3'   OS    M   21   6   5     1.420   111.950    83.180  -0.51400
   4  H3T   HO    M    3   2   1     0.960   114.970  -211.370   0.31300

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C3'  C1'  C2'  O2'

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
D-THYMINE - with 5' - OH end group and 3' - O(minus)

 DT5  INT     1
 CORRECT NOMIT 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  H5T   HO    M    3   2   1     1.000   120.000   180.000   0.28500
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.42500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N1    N*    S    8   7   6     1.530   109.590  -127.700  -0.73900
  10  C6    CJ    S    9   8   7     1.370   123.040    81.590   0.55100
  11  C5    CM    B   10   9   8     1.340   121.220   177.300  -0.59500
  12  C7    C3    E   11  10   9     1.500   121.630   180.000   0.09700
  13  C4    C     B   11  10   9     1.440   120.780     0.000   0.98000
  14  O4    O     E   13  11  10     1.230   125.350   180.000  -0.47200
  15  N3    NA    B   13  11  10     1.380   114.070     0.000  -1.01200
  16  H3    H     E   15  13  11     1.090   116.770   180.000   0.37000
  17  C2    C     S   15  13  11     1.380   126.460     0.000   1.11300
  18  O2    O     E   17  15  13     1.220   121.700   180.000  -0.52900
  19  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  20  C2'   C2    E   19   6   5     1.530   102.800   -86.300  -0.04700
  21  O3'   OS    M   19   6   5     1.420   116.520  -203.470  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 N1   N3   C2   O2
 C5   N3   C4   O4
 C2   C4   N3   H3

LOOP
 C1'  C2'
 N1   C2

DONE
D-THYMINE - with 5' - phosphate group and 3' - O(minus) group 

 DT   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     1.600   119.040  -200.850   1.42900
   5  OA    O2    E    4   3   2     1.480   109.610  -214.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.580  -342.910  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N1    N*    S    8   7   6     1.530   109.590  -127.700  -0.73900
  10  C6    CJ    S    9   8   7     1.370   123.040    81.590   0.55100
  11  C5    CM    B   10   9   8     1.340   121.220   177.300  -0.59500
  12  C7    C3    E   11  10   9     1.500   121.630   180.000   0.09700
  13  C4    C     B   11  10   9     1.440   120.780     0.000   0.98000
  14  O4    O     E   13  11  10     1.230   125.350   180.000  -0.47200
  15  N3    NA    B   13  11  10     1.380   114.070     0.000  -1.01200
  16  H3    H     E   15  13  11     1.090   116.770   180.000   0.37000
  17  C2    C     S   15  13  11     1.380   126.460     0.000   1.11300
  18  O2    O     E   17  15  13     1.220   121.700   180.000  -0.52900
  19  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  20  C2'   C2    E   19   6   5     1.530   102.800   -86.300  -0.04700
  21  O3'   OS    M   19   6   5     1.420   116.520  -203.470  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 N1   N3   C2   O2
 C5   N3   C4   O4
 C2   C4   N3   H3

LOOP
 C1'  C2'
 N1   C2

DONE
D-THYMINE - with 5' - phosphate group and 3' - OH group

 DT3  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     1.600   119.040  -200.850   1.42900
   5  OA    O2    E    4   3   2     1.480   109.610  -214.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.580  -342.910  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N1    N*    S    8   7   6     1.530   109.590  -127.700  -0.73900
  10  C6    CJ    S    9   8   7     1.370   123.040    81.590   0.55100
  11  C5    CM    B   10   9   8     1.340   121.220   177.300  -0.59500
  12  C7    C3    E   11  10   9     1.500   121.630   180.000   0.09700
  13  C4    C     B   11  10   9     1.440   120.780     0.000   0.98000
  14  O4    O     E   13  11  10     1.230   125.350   180.000  -0.47200
  15  N3    NA    B   13  11  10     1.380   114.070     0.000  -1.01200
  16  H3    H     E   15  13  11     1.090   116.770   180.000   0.37000
  17  C2    C     S   15  13  11     1.380   126.460     0.000   1.11300
  18  O2    O     E   17  15  13     1.220   121.700   180.000  -0.52900
  19  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  20  C2'   C2    E   19   6   5     1.530   102.800   -86.300  -0.04700
  21  O3'   OS    M   19   6   5     1.420   116.520  -203.470  -0.51400
   4  H     HO    M    3   2   1     0.960   114.970  -211.370   0.31300

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 N1   N3   C2   O2
 C5   N3   C4   O4
 C2   C4   N3   H3

LOOP
 C1'  C2'
 N1   C2

DONE
R-URACIL - with 5' - OH end group and 3' - O(minus)

 RU5  INT     1
 CORRECT NOMIT 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  H5T   HO    M    3   2   1     1.000   120.000   180.000   0.28500
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.42500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N1    N*    S    8   7   6     1.530   109.590  -119.920  -0.56700
  10  C6    CJ    S    9   8   7     1.370   123.040    13.450   0.36600
  11  C5    CJ    S   10   9   8     1.340   121.220   177.300  -0.20400
  12  C4    C     B   11  10   9     1.440   120.780     0.000   0.57200
  13  O4    O     E   12  11  10     1.230   125.350   180.000  -0.39400
  14  N3    NA    B   12  11  10     1.380   114.070     0.000  -0.75800
  15  H3    H     E   14  12  11     1.090   116.770   180.000   0.34700
  16  C2    C     S   14  12  11     1.380   126.460     0.000   0.89600
  17  O2    O     E   16  14  12     1.220   121.700   180.000  -0.49400
  18  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  19  C2'   CH    S   18   6   5     1.530   102.080  -155.280   0.08200
  20  O2'   OH    S   19  18   6     1.420   110.780   -76.400  -0.51200
  21  HO2'  HO    E   20  19  18     0.960   109.470   180.000   0.31600
  22  O3'   OS    M   18   6   5     1.420   111.950    83.180  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 C3'  C1'  C2'  O2'
 N1   N3   C2   O2
 C5   N3   C4   O4
 C2   C4   N3   H3

LOOP
 C1'  C2'
 N1   C2

DONE
R-URACIL - with 5' - phosphate group and 3' - O(minus) group 

 RU   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     1.600   119.040  -213.190   1.42900
   5  OA    O2    E    4   3   2     1.480   109.580  -194.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.650  -332.610  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N1    N*    S    8   7   6     1.530   109.590  -119.920  -0.56700
  10  C6    CJ    S    9   8   7     1.370   123.040    13.450   0.36600
  11  C5    CJ    S   10   9   8     1.340   121.220   177.300  -0.20400
  12  C4    C     B   11  10   9     1.440   120.780     0.000   0.57200
  13  O4    O     E   12  11  10     1.230   125.350   180.000  -0.39400
  14  N3    NA    B   12  11  10     1.380   114.070     0.000  -0.75800
  15  H3    H     E   14  12  11     1.090   116.770   180.000   0.34700
  16  C2    C     S   14  12  11     1.380   126.460     0.000   0.89600
  17  O2    O     E   16  14  12     1.220   121.700   180.000  -0.49400
  18  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  19  C2'   CH    S   18   6   5     1.530   102.080  -155.280   0.08200
  20  O2'   OH    S   19  18   6     1.420   110.780   -76.400  -0.51200
  21  HO2'  HO    E   20  19  18     0.960   109.470   180.000   0.31600
  22  O3'   OS    M   18   6   5     1.420   111.950    83.180  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 C3'  C1'  C2'  O2'
 N1   N3   C2   O2
 C5   N3   C4   O4
 C2   C4   N3   H3

LOOP
 C1'  C2'
 N1   C2

DONE
R-URACIL - with 5' - phosphate group and 3' - OH group

 RU3  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     1.600   119.040  -213.190   1.42900
   5  OA    O2    E    4   3   2     1.480   109.580  -194.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.650  -332.610  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N1    N*    S    8   7   6     1.530   109.590  -119.920  -0.56700
  10  C6    CJ    S    9   8   7     1.370   123.040    13.450   0.36600
  11  C5    CJ    S   10   9   8     1.340   121.220   177.300  -0.20400
  12  C4    C     B   11  10   9     1.440   120.780     0.000   0.57200
  13  O4    O     E   12  11  10     1.230   125.350   180.000  -0.39400
  14  N3    NA    B   12  11  10     1.380   114.070     0.000  -0.75800
  15  H3    H     E   14  12  11     1.090   116.770   180.000   0.34700
  16  C2    C     S   14  12  11     1.380   126.460     0.000   0.89600
  17  O2    O     E   16  14  12     1.220   121.700   180.000  -0.49400
  18  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  19  C2'   CH    S   18   6   5     1.530   102.080  -155.280   0.08200
  20  O2'   OH    S   19  18   6     1.420   110.780   -76.400  -0.51200
  21  HO2'  HO    E   20  19  18     0.960   109.470   180.000   0.31600
  22  O3'   OS    M   18   6   5     1.420   111.950    83.180  -0.51400
   4  H3T   HO    M    3   2   1     0.960   114.970  -211.370   0.31300

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 C3'  C1'  C2'  O2'
 N1   N3   C2   O2
 C5   N3   C4   O4
 C2   C4   N3   H3

LOOP
 C1'  C2'
 N1   C2

DONE
D-GUANOSINE - with 5' - OH end group and 3' - O(minus) group

 DG5  INT     1
 CORRECT NOMIT 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  H5T   HO    M    3   2   1     1.000   120.000   180.000   0.28500
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.42500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N9    N*    S    8   7   6     1.490   108.060  -127.700  -0.37900
  10  C8    CE    S    9   8   7     1.380   129.200    81.590   0.42800
  11  N7    NB    S   10   9   8     1.310   114.000  -179.900  -0.57500
  12  C5    CB    S   11  10   9     1.390   103.900     0.000  -0.08800
  13  C6    C     B   12  11  10     1.420   130.400   180.000   0.71400
  14  O6    O     E   13  12  11     1.230   128.800     0.000  -0.45900
  15  N1    NA    B   13  12  11     1.400   111.380   180.000  -0.74600
  16  H1    H     E   15  13  12     1.000   117.360   179.900   0.34000
  17  C2    CA    B   15  13  12     1.380   125.240    -0.100   0.84200
  18  N2    N2    B   17  15  13     1.340   116.020   180.000  -0.75800
  19  H21   H2    E   18  17  15     1.010   127.000    -0.820   0.32400
  20  H22   H2    E   18  17  15     1.010   116.530  -179.440   0.33300
  21  N3    NC    S   17  15  13     1.330   123.300     0.000  -0.70200
  22  C4    CB    E   21  17  15     1.360   112.200     0.000   0.49000
  23  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  24  C2'   C2    E   23   6   5     1.530   102.800   -86.300  -0.04700
  25  O3'   OS    M   23   6   5     1.420   116.520  -203.470  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C5   N1   C6   O6
 C6   C2   N1   H1

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
D-GUANOSINE - with 5' - phosphate group and 3' - O(minus) group 

 DG   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     1.600   119.040  -200.850   1.42900
   5  OA    O2    E    4   3   2     1.480   109.610  -214.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.580  -342.910  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N9    N*    S    8   7   6     1.490   108.060  -127.700  -0.37900
  10  C8    CE    S    9   8   7     1.380   129.200    81.590   0.42800
  11  N7    NB    S   10   9   8     1.310   114.000  -179.900  -0.57500
  12  C5    CB    S   11  10   9     1.390   103.900     0.000  -0.08800
  13  C6    C     B   12  11  10     1.420   130.400   180.000   0.71400
  14  O6    O     E   13  12  11     1.230   128.800     0.000  -0.45900
  15  N1    NA    B   13  12  11     1.400   111.380   180.000  -0.74600
  16  H1    H     E   15  13  12     1.000   117.360   179.900   0.34000
  17  C2    CA    B   15  13  12     1.380   125.240    -0.100   0.84200
  18  N2    N2    B   17  15  13     1.340   116.020   180.000  -0.75800
  19  H21   H2    E   18  17  15     1.010   127.000    -0.820   0.32400
  20  H22   H2    E   18  17  15     1.010   116.530  -179.440   0.33300
  21  N3    NC    S   17  15  13     1.330   123.300     0.000  -0.70200
  22  C4    CB    E   21  17  15     1.360   112.200     0.000   0.49000
  23  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  24  C2'   C2    E   23   6   5     1.530   102.800   -86.300  -0.04700
  25  O3'   OS    M   23   6   5     1.420   116.520  -203.470  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C5   N1   C6   O6
 C6   C2   N1   H1

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
D-GUANOSINE - with 5' - phosphate group and 3' - OH group 

 DG3  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     1.600   119.040  -200.850   1.42900
   5  OA    O2    E    4   3   2     1.480   109.610  -214.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.580  -342.910  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N9    N*    S    8   7   6     1.490   108.060  -127.700  -0.37900
  10  C8    CE    S    9   8   7     1.380   129.200    81.590   0.42800
  11  N7    NB    S   10   9   8     1.310   114.000  -179.900  -0.57500
  12  C5    CB    S   11  10   9     1.390   103.900     0.000  -0.08800
  13  C6    C     B   12  11  10     1.420   130.400   180.000   0.71400
  14  O6    O     E   13  12  11     1.230   128.800     0.000  -0.45900
  15  N1    NA    B   13  12  11     1.400   111.380   180.000  -0.74600
  16  H1    H     E   15  13  12     1.000   117.360   179.900   0.34000
  17  C2    CA    B   15  13  12     1.380   125.240    -0.100   0.84200
  18  N2    N2    B   17  15  13     1.340   116.020   180.000  -0.75800
  19  H21   H2    E   18  17  15     1.010   127.000    -0.820   0.32400
  20  H22   H2    E   18  17  15     1.010   116.530  -179.440   0.33300
  21  N3    NC    S   17  15  13     1.330   123.300     0.000  -0.70200
  22  C4    CB    E   21  17  15     1.360   112.200     0.000   0.49000
  23  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  24  C2'   C2    E   23   6   5     1.530   102.800   -86.300  -0.04700
  25  O3'   OS    M   23   6   5     1.420   116.520  -203.470  -0.51400
   4  H3T   HO    M    3   2   1     0.960   114.970  -211.370   0.31300

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C5   N1   C6   O6
 C6   C2   N1   H1

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
R-GUANOSINE - with 5' - OH end group and 3' - O(minus) group

 RG5  INT     1
 CORRECT NOMIT 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  H5T   HO    M    3   2   1      1.00    120.00    180.00   0.28500
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.42500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N9    N*    S    8   7   6     1.490   108.060  -119.920  -0.37900
  10  C8    CE    S    9   8   7     1.380   129.200    13.450   0.42800
  11  N7    NB    S   10   9   8     1.310   114.000  -179.900  -0.57500
  12  C5    CB    S   11  10   9     1.390   103.900     0.000  -0.08800
  13  C6    C     B   12  11  10     1.420   130.400   180.000   0.71400
  14  O6    O     E   13  12  11     1.230   128.800     0.000  -0.45900
  15  N1    NA    B   13  12  11     1.400   111.380   180.000  -0.74600
  16  H1    H     E   15  13  12     1.000   117.360   179.900   0.34000
  17  C2    CA    B   15  13  12     1.380   125.240    -0.100   0.84200
  18  N2    N2    B   17  15  13     1.340   116.020   180.000  -0.75800
  19  H21   H2    E   18  17  15     1.010   127.000    -0.820   0.32400
  20  H22   H2    E   18  17  15     1.010   116.530  -179.440   0.33300
  21  N3    NC    S   17  15  13     1.330   123.300     0.000  -0.70200
  22  C4    CB    E   21  17  15     1.360   112.200     0.000   0.49000
  23  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  24  C2'   CH    S   23   6   5     1.530   102.080  -155.280   0.08200
  25  O2'   OH    S   24  23   6     1.420   110.780   -76.400  -0.51200
  26  HO2'  HO    E   25  24  23     0.960   109.470   180.000   0.31600
  27  O3'   OS    M   23   6   5     1.420   111.950    83.180  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C3'  C1'  C2'  O2'
 C5   N1   C6   O6
 C6   C2   N1   H1

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
R-GUANOSINE - with 5' - phosphate group and 3' - O(minus) group 

 RG   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     1.600   119.040  -213.190   1.42900
   5  OA    O2    E    4   3   2     1.480   109.580  -194.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.650  -332.610  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N9    N*    S    8   7   6     1.490   108.060  -119.920  -0.37900
  10  C8    CE    S    9   8   7     1.380   129.200    13.450   0.42800
  11  N7    NB    S   10   9   8     1.310   114.000  -179.900  -0.57500
  12  C5    CB    S   11  10   9     1.390   103.900     0.000  -0.08800
  13  C6    C     B   12  11  10     1.420   130.400   180.000   0.71400
  14  O6    O     E   13  12  11     1.230   128.800     0.000  -0.45900
  15  N1    NA    B   13  12  11     1.400   111.380   180.000  -0.74600
  16  H1    H     E   15  13  12     1.000   117.360   179.900   0.34000
  17  C2    CA    B   15  13  12     1.380   125.240    -0.100   0.84200
  18  N2    N2    B   17  15  13     1.340   116.020   180.000  -0.75800
  19  H21   H2    E   18  17  15     1.010   127.000    -0.820   0.32400
  20  H22   H2    E   18  17  15     1.010   116.530  -179.440   0.33300
  21  N3    NC    S   17  15  13     1.330   123.300     0.000  -0.70200
  22  C4    CB    E   21  17  15     1.360   112.200     0.000   0.49000
  23  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  24  C2'   CH    S   23   6   5     1.530   102.080  -155.280   0.08200
  25  O2'   OH    S   24  23   6     1.420   110.780   -76.400  -0.51200
  26  HO2'  HO    E   25  24  23     0.960   109.470   180.000   0.31600
  27  O3'   OS    M   23   6   5     1.420   111.950    83.180  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C3'  C1'  C2'  O2'
 C5   N1   C6   O6
 C6   C2   N1   H1

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
R-GUANOSINE - with 5' - phosphate group and 3' - OH group

 RG3  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     1.600   119.040  -213.190   1.42900
   5  OA    O2    E    4   3   2     1.480   109.580  -194.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.650  -332.610  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N9    N*    S    8   7   6     1.490   108.060  -119.920  -0.37900
  10  C8    CE    S    9   8   7     1.380   129.200    13.450   0.42800
  11  N7    NB    S   10   9   8     1.310   114.000  -179.900  -0.57500
  12  C5    CB    S   11  10   9     1.390   103.900     0.000  -0.08800
  13  C6    C     B   12  11  10     1.420   130.400   180.000   0.71400
  14  O6    O     E   13  12  11     1.230   128.800     0.000  -0.45900
  15  N1    NA    B   13  12  11     1.400   111.380   180.000  -0.74600
  16  H1    H     E   15  13  12     1.000   117.360   179.900   0.34000
  17  C2    CA    B   15  13  12     1.380   125.240    -0.100   0.84200
  18  N2    N2    B   17  15  13     1.340   116.020   180.000  -0.75800
  19  H21   H2    E   18  17  15     1.010   127.000    -0.820   0.32400
  20  H22   H2    E   18  17  15     1.010   116.530  -179.440   0.33300
  21  N3    NC    S   17  15  13     1.330   123.300     0.000  -0.70200
  22  C4    CB    E   21  17  15     1.360   112.200     0.000   0.49000
  23  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  24  C2'   CH    S   23   6   5     1.530   102.080  -155.280   0.08200
  25  O2'   OH    S   24  23   6     1.420   110.780   -76.400  -0.51200
  26  HO2'  HO    E   25  24  23     0.960   109.470   180.000   0.31600
  27  O3'   OS    M   23   6   5     1.420   111.950    83.180  -0.51400
   4  H3T   HO    M    3   2   1     0.960   114.970  -211.370   0.31300

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N9
 C3'  C1'  C2'  O2'
 C5   N1   C6   O6
 C6   C2   N1   H1

LOOP
 C1'  C2'
 N9   C4
 C5   C4

DONE
D-CYTOSINE - with 5' - OH end group and 3' - O(minus) group

 DC5  INT     1
 CORRECT NOMIT 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  H5T   HO    M    3   2   1      1.00    120.00    180.00   0.28500
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.42500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N1    N*    S    8   7   6     1.490   108.100  -127.700  -0.57200
  10  C6    CJ    S    9   8   7     1.360   121.100    81.590   0.37700
  11  C5    CJ    S   10   9   8     1.360   121.000   180.000  -0.23000
  12  C4    CA    B   11  10   9     1.430   116.900     0.000   0.63000
  13  N4    N2    B   12  11  10     1.320   120.100   180.000  -0.74300
  14  H41   H2    E   13  12  11     1.010   117.700     0.000   0.33500
  15  H42   H2    E   13  12  11     1.010   120.270   180.000   0.33800
  16  N3    NC    S   12  11  10     1.330   121.700     0.000  -0.79100
  17  C2    C     S   16  12  11     1.360   120.500     0.000   0.93800
  18  O2    O     E   17  16  12     1.240   122.400   180.000  -0.51800
  19  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  20  C2'   C2    E   19   6   5     1.530   102.800   -86.300  -0.04700
  21  O3'   OS    M   19   6   5     1.420   116.520  -203.470  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 N1   N3   C2   O2

LOOP
 C1'  C2'
 N1   C2

DONE
D-CYTOSINE - with 5' - phosphate group and 3' - O(minus) group 

 DC   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     1.600   119.040  -200.850   1.42900
   5  OA    O2    E    4   3   2     1.480   109.610  -214.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.580  -342.910  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N1    N*    S    8   7   6     1.490   108.100  -127.700  -0.57200
  10  C6    CJ    S    9   8   7     1.360   121.100    81.590   0.37700
  11  C5    CJ    S   10   9   8     1.360   121.000   180.000  -0.23000
  12  C4    CA    B   11  10   9     1.430   116.900     0.000   0.63000
  13  N4    N2    B   12  11  10     1.320   120.100   180.000  -0.74300
  14  H41   H2    E   13  12  11     1.010   117.700     0.000   0.33500
  15  H42   H2    E   13  12  11     1.010   120.270   180.000   0.33800
  16  N3    NC    S   12  11  10     1.330   121.700     0.000  -0.79100
  17  C2    C     S   16  12  11     1.360   120.500     0.000   0.93800
  18  O2    O     E   17  16  12     1.240   122.400   180.000  -0.51800
  19  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  20  C2'   C2    E   19   6   5     1.530   102.800   -86.300  -0.04700
  21  O3'   OS    M   19   6   5     1.420   116.520  -203.470  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 N1   N3   C2   O2

LOOP
 C1'  C2'
 N1   C2

DONE
D-CYTOSINE - with 5' - phosphate group and 3' - OH group

 DC3  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     1.600   119.040  -200.850   1.42900
   5  OA    O2    E    4   3   2     1.480   109.610  -214.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.580  -342.910  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.000   -39.220   0.15300
   6  C4'   CH    M    5   4   3     1.520   110.000  -151.000   0.18500
   7  O1'   OS    S    6   5   4     1.460   108.860   -86.310  -0.38600
   8  C1'   CH    S    7   6   5     1.420   110.040   105.600   0.50000
   9  N1    N*    S    8   7   6     1.490   108.100  -127.700  -0.57200
  10  C6    CJ    S    9   8   7     1.360   121.100    81.590   0.37700
  11  C5    CJ    S   10   9   8     1.360   121.000   180.000  -0.23000
  12  C4    CA    B   11  10   9     1.430   116.900     0.000   0.63000
  13  N4    N2    B   12  11  10     1.320   120.100   180.000  -0.74300
  14  H41   H2    E   13  12  11     1.010   117.700     0.000   0.33500
  15  H42   H2    E   13  12  11     1.010   120.270   180.000   0.33800
  16  N3    NC    S   12  11  10     1.330   121.700     0.000  -0.79100
  17  C2    C     S   16  12  11     1.360   120.500     0.000   0.93800
  18  O2    O     E   17  16  12     1.240   122.400   180.000  -0.51800
  19  C3'   CH    M    6   5   4     1.530   115.780  -329.110   0.17200
  20  C2'   C2    E   19   6   5     1.530   102.800   -86.300  -0.04700
  21  O3'   OS    M   19   6   5     1.420   116.520  -203.470  -0.51400
   4  H3T   HO    M    3   2   1     0.960   114.970  -211.370   0.31300

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 N1   N3   C2   O2

LOOP
 C1'  C2'
 N1   C2

DONE
R-CYTOSINE - with 5' - OH end group and 3' - O(minus) group

 RC5  INT     1
 CORRECT NOMIT 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  H5T   HO    M    3   2   1      1.00    120.00    180.00   0.28500
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.42500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N1    N*    S    8   7   6     1.490   108.100  -119.920  -0.57200
  10  C6    CJ    S    9   8   7     1.360   121.100    13.450   0.37700
  11  C5    CJ    S   10   9   8     1.360   121.000   180.000  -0.23000
  12  C4    CA    B   11  10   9     1.430   116.900     0.000   0.63000
  13  N4    N2    B   12  11  10     1.320   120.100   180.000  -0.74300
  14  H41   H2    E   13  12  11     1.010   117.700     0.000   0.33500
  15  H42   H2    E   13  12  11     1.010   120.270   180.000   0.33800
  16  N3    NC    S   12  11  10     1.330   121.700     0.000  -0.79100
  17  C2    C     S   16  12  11     1.360   120.500     0.000   0.93800
  18  O2    O     E   17  16  12     1.240   122.400   180.000  -0.51800
  19  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  20  C2'   CH    S   19   6   5     1.530   102.080  -155.280   0.08200
  21  O2'   OH    S   20  19   6     1.420   110.780   -76.400  -0.51200
  22  HO2'  HO    E   21  20  19     0.960   109.470   180.000   0.31600
  23  O3'   OS    M   19   6   5     1.420   111.950    83.180  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 C3'  C1'  C2'  O2'
 N1   N3   C2   O2

LOOP
 C1'  C2'
 N1   C2

DONE
R-CYTOSINE - with 5' - phosphate group and 3' - O(minus) group 

 RC   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     1.600   119.040  -213.190   1.42900
   5  OA    O2    E    4   3   2     1.480   109.580  -194.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.650  -332.610  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N1    N*    S    8   7   6     1.490   108.100  -119.920  -0.57200
  10  C6    CJ    S    9   8   7     1.360   121.100    13.450   0.37700
  11  C5    CJ    S   10   9   8     1.360   121.000   180.000  -0.23000
  12  C4    CA    B   11  10   9     1.430   116.900     0.000   0.63000
  13  N4    N2    B   12  11  10     1.320   120.100   180.000  -0.74300
  14  H41   H2    E   13  12  11     1.010   117.700     0.000   0.33500
  15  H42   H2    E   13  12  11     1.010   120.270   180.000   0.33800
  16  N3    NC    S   12  11  10     1.330   121.700     0.000  -0.79100
  17  C2    C     S   16  12  11     1.360   120.500     0.000   0.93800
  18  O2    O     E   17  16  12     1.240   122.400   180.000  -0.51800
  19  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  20  C2'   CH    S   19   6   5     1.530   102.080  -155.280   0.08200
  21  O2'   OH    S   20  19   6     1.420   110.780   -76.400  -0.51200
  22  HO2'  HO    E   21  20  19     0.960   109.470   180.000   0.31600
  23  O3'   OS    M   19   6   5     1.420   111.950    83.180  -0.53500

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 C3'  C1'  C2'  O2'
 N1   N3   C2   O2

LOOP
 C1'  C2'
 N1   C2

DONE
R-CYTOSINE - with 5' - phosphate group and 3' - OH group

 RC3  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     1.600   119.040  -213.190   1.42900
   5  OA    O2    E    4   3   2     1.480   109.580  -194.890  -0.85000
   6  OB    O2    E    4   3   2     1.480   109.650  -332.610  -0.85000
   4  O5'   OS    M    3   2   1     1.600   101.340   -78.600  -0.53500
   5  C5'   C2    M    4   3   2     1.440   119.020   -60.180   0.17500
   6  C4'   CH    M    5   4   3     1.520   110.020   174.900   0.19700
   7  O1'   OS    S    6   5   4     1.460   108.870   -67.740  -0.41300
   8  C1'   CH    S    7   6   5     1.420   109.840   144.700   0.52200
   9  N1    N*    S    8   7   6     1.490   108.100  -119.920  -0.57200
  10  C6    CJ    S    9   8   7     1.360   121.100    13.450   0.37700
  11  C5    CJ    S   10   9   8     1.360   121.000   180.000  -0.23000
  12  C4    CA    B   11  10   9     1.430   116.900     0.000   0.63000
  13  N4    N2    B   12  11  10     1.320   120.100   180.000  -0.74300
  14  H41   H2    E   13  12  11     1.010   117.700     0.000   0.33500
  15  H42   H2    E   13  12  11     1.010   120.270   180.000   0.33800
  16  N3    NC    S   12  11  10     1.330   121.700     0.000  -0.79100
  17  C2    C     S   16  12  11     1.360   120.500     0.000   0.93800
  18  O2    O     E   17  16  12     1.240   122.400   180.000  -0.51800
  19  C3'   CH    M    6   5   4     1.530   115.820    48.860   0.21000
  20  C2'   CH    S   19   6   5     1.530   102.080  -155.280   0.08200
  21  O2'   OH    S   20  19   6     1.420   110.780   -76.400  -0.51200
  22  HO2'  HO    E   21  20  19     0.960   109.470   180.000   0.31600
  23  O3'   OS    M   19   6   5     1.420   111.950    83.180  -0.51400
   4  H3T   HO    M    3   2   1     0.960   114.970  -211.370   0.31300

IMPROPER
 C5'  C4'  C3'  O1'
 C4'  C2'  C3'  O3'
 O1'  C2'  C1'  N1
 C3'  C1'  C2'  O2'
 N1   N3   C2   O2

LOOP
 C1'  C2'
 N1   C2

DONE
STOP
