* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    131    210     379
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02118    70.20111   -96.70138
    3     1 S   H    _H1_     3     1.02030   103.88315     8.52039
    4     1 S   H    _H2_     4     1.02032    43.03016   111.21712
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.84818    98.15628  -158.22588
   34    33 S   Cl   Cl1_    37     1.82203   107.50295   176.54861
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C15    38     1.54142   110.12206    59.99048
   39    38 S   N4   _N5_    39     1.36615   118.03548  -131.50082
   40    38 S   CMA  _C16    70     1.34852   122.22564    54.51143
   41    40 S   OM   _O35    71     1.38586   118.68397   179.96044
   42    40 S   OM   _O36    72     1.38709   118.56133     0.01978
   43    39 S   C4   _C14    40     1.35543   137.48577  -162.41863
   44    43 S   O    _O34    41     1.20835   134.37912    -6.95471
   45    39 S   C4T  _C13    44     1.45000   125.91246    16.75849
   46    45 S   HC   _H5_    45     1.09545   112.95101    76.91376
   47    43 S   C4T  _C12    42     1.55171    89.73215   169.06481
   48    47 S   HC   _H4_    43     1.09508   112.55804   123.30811
   49    45 S   S    _S1_    46     1.80728   109.92372   -52.32182
   50    33 S   CT   _C18    47     1.55021   106.14244   -69.10205
   51    50 S   HC   _H12    48     1.07237   109.59194   -80.50187
   52    50 S   HC   _H13    49     1.06706   111.88803    41.86471
   53    47 S   N    _N4_    50     1.46281   113.23779  -110.27617
   54    53 S   H    _H11    51     1.00845   116.54227    22.87450
   55    53 S   C    _C11    52     1.37795   122.65555  -157.39567
   56    55 S   O    _O33    53     1.22940   125.61787     0.02798
   57    55 S   CT1  _C10    54     1.52459   111.55418  -177.92831
   58    57 S   HC   _H3_    55     1.09738   108.83446   -32.01879
   59    57 S   CA   _C7_    56     1.51096   111.79420    90.31875
   60    57 S   NT   _N6_    67     1.44233   108.21275  -145.94554
   61    60 S   H    _H14    68     1.00528   118.96628  -160.37394
   62    60 S   H    _H15    69     1.00534   118.99076    33.00055
   63    59 S   CA   _C6_    57     1.39460   120.05016   -89.97044
   64    63 S   HA   _H8_    58     1.08682   120.50089    -0.00000
   65    63 S   CA   _C5_    59     1.39522   120.00612   179.98022
   66    65 S   HA   _H7_    60     1.08548   120.00059   179.96574
   67    65 S   CA   _C4_    61     1.39514   119.98039    -0.00000
   68    67 S   HA   _H6_    62     1.08586   119.95958   179.94405
   69    67 S   CA   _C9_    63     1.39460   120.01346     0.00000
   70    69 S   HA   _H10    64     1.08532   120.02518   179.88809
   71    59 S   CA   _C8_    65     1.39514   119.93642    90.01201
   72    71 S   HA   _H9_    66     1.08605   120.51776     0.01978
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  13  12   5   1   1   9   4  10   5   8   4
   4   2   1   1   7   3   9   4  11   6  12   4   1   1   8   4
   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    50    51    52    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    49    50    51    52    40    41    42  
   38    39    49    50    51    52    40  
   36    37  
   37  
    0  
   39    43    44    47    45    46    49    50    51    52    40    41    42  
   43    44    47    48    45    46    49    50    53    40    41    42  
   41    42    43    45    50  
   42  
    0  
   44    47    48    45    46    49    53    54    55  
   47    48    45    53  
   46    49    50    51    52    53    54    55    47    48  
   49    50    53    47    48  
   48    49    50    53    54    55    56    57  
   49    53    54    55  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57    58    59    63    71    60    61    62  
   57    58    59    60  
   58    59    63    64    65    69    71    72    60    61    62  
   59    63    71    60    61    62  
   63    64    65    66    67    69    70    71    72    60    61    62  
   61    62    63    71  
   62  
    0  
   64    65    66    67    68    69    71    72  
   65    66    67    71  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72  
   69    70    71  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   50   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   400.000  1.384
   38    40   465.000  1.376
   39    43   440.000  1.369
   39    45   305.000  1.456
   43    44   930.000  1.212
   43    47   250.000  1.540
   47    48   340.000  1.090
   47    45   268.000  1.529
   47    53   337.000  1.449
   45    46   340.000  1.090
   45    49   200.000  1.824
   49    50   222.000  1.810
   50    51   340.000  1.090
   50    52   340.000  1.090
   53    54   434.000  1.010
   53    55   490.000  1.335
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   275.000  1.474
   57    60   305.000  1.457
   59    63   469.000  1.400
   59    71   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   60    61   434.000  1.010
   60    62   434.000  1.010
   40    41   745.000  1.250
   40    42   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  113.82800
   33    38    40    70.00000  124.00000
   33    50    49    75.00000  111.63000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   38    33    34    75.00000  111.90500
   38    39    43    50.00000  132.10000
   38    39    45    50.00000  132.70000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  137.10300
   39    43    44    75.00000  131.60000
   39    43    47    95.00000   92.72400
   39    45    47   105.00000   87.49700
   39    45    46    50.00000  112.01000
   39    45    49    80.00000  108.62000
   43    47    48    40.00000  113.37500
   43    47    45   100.00000   86.36000
   43    47    53    75.00000  110.24000
   47    43    44    60.00000  136.58000
   47    45    46    37.50000  110.70000
   47    45    49    65.00000  119.05700
   47    53    54    38.00000  118.40000
   47    53    55    50.00000  121.90000
   45    39    43   100.00000   93.00000
   45    47    48    37.50000  110.70000
   45    49    50    85.00000   99.86700
   49    45    46    45.00000  109.41400
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   50    33    34    69.00000  109.80000
   50    33    38    70.00000  112.02700
   52    50    51    33.00000  107.80000
   53    47    48    50.00000  112.01000
   53    47    45    80.00000  110.05700
   53    55    56    80.00000  122.90000
   53    55    57    70.00000  116.60000
   55    53    54    35.00000  119.80000
   55    57    58    35.00000  109.50000
   55    57    59    70.00000  102.60000
   55    57    60    75.00000  111.54000
   57    55    56    80.00000  120.40000
   57    59    63    60.00000  125.54000
   57    59    71    60.00000  125.54000
   57    60    61    50.00000  111.55300
   57    60    62    50.00000  111.55300
   59    57    58    45.00000  110.88000
   59    63    64    35.00000  120.00000
   59    63    65    63.00000  120.00000
   59    71    69    63.00000  120.00000
   59    71    72    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   71    59    63    63.00000  120.00000
   71    69    70    35.00000  120.00000
   60    57    58    50.00000  109.55000
   60    57    59    75.00000  112.33000
   62    60    61    43.60000  106.40000
   40    38    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    49   0.56750  1.0 1.0
   29    33    50    49  -0.07550 -1.0 2.0
   29    33    50    49   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   33    38    39    43   0.00000  1.0 1.0
   33    38    39    45   0.00000  1.0 1.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    50    49   0.56750  1.0 1.0
   34    33    50    49  -0.07550 -1.0 2.0
   34    33    50    49   0.20000  1.0 3.0
   34    33    50    51   0.27000  1.0 3.0
   34    33    50    52   0.27000  1.0 3.0
   38    33    50    49   0.56750  1.0 1.0
   38    33    50    49  -0.07550 -1.0 2.0
   38    33    50    49   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.15000  1.0 3.0
   38    39    43    44   3.00000 -1.0 2.0
   38    39    43    47   3.00000 -1.0 2.0
   38    39   -45    47   0.00000  1.0 1.0
   38    39    45    46   0.00000  1.0 1.0
   38    39   -45    49   0.00000  1.0 1.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   39    43    47    48   0.00000  1.0 1.0
   39    43   -47    45   3.00000 -1.0 2.0
   39    43    47    53   0.00000  1.0 1.0
   39    45    49    50   0.01700  1.0 1.0
   39    45    49    50  -0.23550 -1.0 2.0
   39    45    49    50   0.21350  1.0 3.0
   43    39   -45    47   0.00000  1.0 1.0
   43    39    45    46   0.00000  1.0 1.0
   43    39    45    49   0.00000  1.0 1.0
   43    47   -45    39   3.00000 -1.0 2.0
   43    47   -45    46   0.15000  1.0 3.0
   43    47   -45    49   0.00000  1.0 1.0
   43    47    53    54   0.00000  1.0 1.0
   43    47    53    55  -0.42300  1.0 1.0
   43    47    53    55  -0.07000 -1.0 2.0
   43    47    53    55   0.04150  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    45  -0.11250  1.0 1.0
   44    43    47    45   0.11400 -1.0 2.0
   44    43    47    45  -0.28950  1.0 3.0
   44    43    47    53   0.30150 -1.0 2.0
   47    45    49    50   0.25150  1.0 1.0
   47    45    49    50  -1.17200 -1.0 2.0
   47    45    49    50   0.53050  1.0 3.0
   47    53    55    56   3.04450 -1.0 2.0
   47    53    55    57   1.15000  1.0 1.0
   47    53    55    57   3.04450 -1.0 2.0
   48    47   -45    39   0.15000  1.0 3.0
   48    47    45    46   0.15000  1.0 3.0
   48    47    45    49   0.00000  1.0 1.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   45    39   -43    44   3.00000 -1.0 2.0
   45    39   -43    47   3.00000 -1.0 2.0
   45    47    53    54   0.00000  1.0 1.0
   45    47    53    55  -0.43950  1.0 1.0
   45    47    53    55  -0.08100 -1.0 2.0
   45    47    53    55   0.03350  1.0 3.0
   45    49   -50    33  -0.25000 -1.0 2.0
   45    49   -50    33  -0.01800  1.0 3.0
   45    49    50    51   0.32350  1.0 3.0
   45    49    50    52   0.32350  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   50    33   -38    39  -0.93550  1.0 1.0
   50    33   -38    39   0.38900 -1.0 2.0
   50    33   -38    39   0.16950  1.0 3.0
   50    33    38    40   0.09850  1.0 1.0
   50    33    38    40   0.15250 -1.0 2.0
   50    33    38    40  -0.50650  1.0 3.0
   53    47   -45    39   2.20050  1.0 1.0
   53    47   -45    39   0.63450 -1.0 2.0
   53    47   -45    39  -0.91300  1.0 3.0
   53    47    45    46   0.15000  1.0 3.0
   53    47    45    49   0.00000  1.0 1.0
   53    55    57    58   0.00000  1.0 1.0
   53    55    57    59   0.00000  1.0 1.0
   53    55    57    60   0.00000  1.0 1.0
   54    53    55    56   2.45000 -1.0 2.0
   54    53    55    57   2.45000 -1.0 2.0
   55    57    59    63   0.04300 -1.0 2.0
   55    57    59    71   0.04300 -1.0 2.0
   55    57    60    61   0.21900  1.0 1.0
   55    57    60    61  -0.24900 -1.0 2.0
   55    57    60    61   0.15200  1.0 3.0
   55    57    60    62   0.21900  1.0 1.0
   55    57    60    62  -0.24900 -1.0 2.0
   55    57    60    62   0.15200  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.30150 -1.0 2.0
   56    55    57    60   0.30150 -1.0 2.0
   57    59    63    64   3.62500 -1.0 2.0
   57    59    63    65   3.62500 -1.0 2.0
   57    59    71    69   3.62500 -1.0 2.0
   57    59    71    72   3.62500 -1.0 2.0
   58    57    59    63   0.00000  1.0 1.0
   58    57    59    71   0.00000  1.0 1.0
   58    57    60    61   0.20000  1.0 3.0
   58    57    60    62   0.20000  1.0 3.0
   59    57    60    61   0.76500  1.0 1.0
   59    57    60    61   0.05700 -1.0 2.0
   59    57    60    61  -0.90900  1.0 3.0
   59    57    60    62   0.76500  1.0 1.0
   59    57    60    62   0.05700 -1.0 2.0
   59    57    60    62  -0.90900  1.0 3.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63    65    67   3.62500 -1.0 2.0
   63    59    71    69   3.62500 -1.0 2.0
   63    59    71    72   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65   -67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69   -71    59   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   70    69    71    59   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    59    63    64   3.62500 -1.0 2.0
   71    59   -63    65   3.62500 -1.0 2.0
   60    57    59    63   0.18550 -1.0 2.0
   60    57    59    63   0.14000  1.0 3.0
   60    57    59    71   0.18550 -1.0 2.0
   60    57    59    71   0.14000  1.0 3.0
   40    38    39    43   0.00000  1.0 1.0
   40    38    39    45   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   45    43    39    38   1.00000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   54    55    53    47   1.00000 -1.0 2.0
   53    57    55    56  10.50000 -1.0 2.0
   63    71    59    57   4.00000 -1.0 2.0
   65    64    63    59   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    72    71    59   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
