* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    137    220     398
    1     0 S   NP   _N1_     1    29.13107    92.54462   -25.69991
    2     1 S   H    _HN1     2     1.02950    97.29218     4.32586
    3     1 S   H    _H1_     3     1.02828     9.85393  -169.28432
    4     1 S   H    _H2_     4     1.02786   113.05626  -109.23331
    5     1 S   CT   _CA1     5     1.50114   114.42102   120.69048
    6     5 S   HC   _HA1     6     1.09572   105.19682    69.14786
    7     5 S   CO3  _C1_     7     1.53795   112.45447   -51.09308
    8     7 S   O2Z  _O11     8     1.26374   115.00970   -42.63064
    9     7 S   O2Z  _O12     9     1.26240   114.95038   136.49670
   10     5 S   CT   _CB1    10     1.53078   107.41714  -172.86375
   11    10 S   HC   HB11    11     1.09832   109.39215   -49.60552
   12    10 S   HC   HB12    12     1.09813   110.44174    67.01068
   13    10 S   CT   _CG1    13     1.52983   112.59487  -170.57681
   14    13 S   HC   HG11    14     1.09585   110.62527   -65.33446
   15    13 S   HC   HG12    15     1.09669   109.79699    53.89520
   16    13 S   C    _CD1    16     1.51797   112.23614   174.36174
   17    16 S   O    _OE1    17     1.22729   123.29794     6.49142
   18    16 S   N    _N2_    18     1.38625   111.64639  -173.61555
   19    18 S   H    _HN2    19     1.01586   118.95872     1.69189
   20    18 S   CT1  _CA2    20     1.46208   123.47424   178.10928
   21    20 S   HC   _HA2    21     1.09730   109.38734     3.76307
   22    20 S   C    _C2_    22     1.53540   108.73356  -111.85785
   23    22 S   O    _O2_    23     1.23069   122.24833  -148.02957
   24    20 S   CT   _CB2    32     1.53256   111.34373   125.77732
   25    24 S   HC   HB21    33     1.09485   109.88659    56.62982
   26    24 S   HC   HB22    34     1.09526   110.45132   175.42774
   27    22 S   N    _N3_    24     1.38326   113.75304    39.44835
   28    27 S   H    _HN3    25     1.01578   119.59237    -3.34141
   29    24 S   S    _SG2    35     1.82793   111.47207   -65.14056
   30    27 S   CT   _CA3    26     1.45284   123.19414   177.11812
   31    30 S   HC   HA31    27     1.09550   107.51899   -64.32378
   32    30 S   HC   HA32    28     1.09557   107.96930    52.10422
   33    29 S   CT   _C16    36     1.87408    99.39434   169.46165
   34    33 S   HC   _H3_    37     1.09154   104.47184    23.42813
   35    30 S   CO3  _C3_    29     1.52955   114.10299   174.10382
   36    35 S   O2Z  _O31    30     1.26372   116.08453    -0.42658
   37    35 S   O2Z  _O32    31     1.26430   114.41091   179.62361
   38    33 S   C3T  _C15    38     1.52213   103.40735   138.26428
   39    38 S   HC   _H32    39     1.08512   113.56948    54.95035
   40    33 S   CT   _C17    58     1.56758   111.75910   -95.85339
   41    38 S   C3T  _C12    40     1.53566   128.24167  -144.40087
   42    41 S   HC   _H29    41     1.08674   115.96424  -163.90469
   43    40 S   CT   _C18    59     1.53873   112.52400   -67.53494
   44    43 S   HC   _H34    60     1.09463   111.77460    58.38016
   45    43 S   HC   _H35    61     1.09432   111.87743   -63.86594
   46    43 S   HC   _H36    62     1.09666   110.71439   175.83736
   47    40 S   OH   _O21    63     1.43788   108.28320    50.70009
   48    47 S   HO   _H37    64     0.97280   108.30156  -179.94766
   49    41 S   CM   _C5_    42     1.45346   118.69022   -24.86863
   50    38 S   O3T  _O20    71     1.44477   110.96969   -80.52607
   51    49 S   CM   _C4_    43     1.33379   130.09322    63.89892
   52    51 S   HC   _H23    44     1.08168   124.20280     5.73641
   53    51 S   CT   _C11    45     1.48086   111.58260  -162.58745
   54    53 S   HC   _H28    46     1.09285   110.81688  -129.05431
   55    53 S   CT   _C13    47     1.55326   114.66940   100.84893
   56    55 S   HC   _H30    48     1.10061   109.01123  -128.03068
   57    53 S   OS   _O18    68     1.43781   102.57681   -15.17582
   58    55 S   CM   _C6_    49     1.49581   117.88741   111.41718
   59    49 S   CO4  _C7_    69     1.47872   124.51799  -109.54747
   60    59 S   O    _O16    70     1.21898   125.27197    -8.65730
   61    58 S   CO4  _C8_    50     1.48302   107.88799  -153.77212
   62    61 S   O    _O17    51     1.21725   127.14985  -167.06881
   63    58 S   CM   _C9_    65     1.33567   131.09340    25.97896
   64    63 S   HC   _H24    66     1.08389   121.75493     0.97237
   65    63 S   HC   _H25    67     1.08575   121.47450  -179.77706
   66    61 S   OS   _O19    52     1.36535   106.92977    11.34021
   67    55 S   CT   _C14    53     1.53728   116.25732    -4.99246
   68    67 S   HC   _H31    54     1.09428   111.20528    48.84025
   69    67 S   CT   _C10    55     1.54353   114.42327   -78.33819
   70    69 S   HC   _H26    56     1.09932   107.21093   -88.11925
   71    69 S   HC   _H27    57     1.09020   111.92299    27.43393
  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  10   5   4   3
  18   8   2   1   1  11   5  15   9   4   9   4   3   2   5   1
   9   2  10   5  13   6  15   8   4   9   1   1   8   3   4   1
   1   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    69    40    43    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    67    69    70    71    40    43    44    45    46    47    48    50  
   38    39    41    69    40    43    47    50  
   36    37  
   37  
    0  
   39    41    42    49    51    69    40    43    47    59    50  
   41    42    49    40    50  
   43    44    45    46    47    48    50    41    55    66    67    68    69    70    71  
   42    49    51    52    53    57    59    60    50  
   49    51    59    50  
   44    45    46    47    48    67    69    70    71  
   45    46    47    69  
   46    47    69  
   47    69  
   48    67    69    70    71  
   69  
   51    52    53    54    55    57    59    60    50  
   51    59  
   52    53    54    55    56    58    67    57    59    60  
   53    54    55    57    59  
   54    55    56    58    61    66    67    68    69    63    57    59    60  
   55    56    58    67    57    59  
   56    58    61    62    66    67    68    69    70    71    63    64    65    57    59  
   58    61    66    67    68    69    63    57  
   59    60    58    67  
   61    62    66    67    68    69    63    64    65  
   60  
    0  
   62    66    67    68    69    63    64    65  
   66    67    63  
   64    65    66    67  
   65  
    0  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   340.000  1.090
   33    38   275.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.088
   38    41   260.000  1.509
   38    50   335.000  1.432
   41    42   340.000  1.088
   41    49   305.000  1.480
   41    50   335.000  1.432
   49    51   549.000  1.340
   49    59   320.000  1.462
   51    52   340.000  1.080
   51    53   317.000  1.510
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   55    67   268.000  1.529
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    66   214.000  1.327
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   63    64   340.000  1.080
   63    65   340.000  1.080
   57    59   214.000  1.327
   59    60   570.000  1.229
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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    41    60.00000  120.94000
   33    38    50    80.00000  116.47100
   33    40    69    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    45.00000  109.38400
   38    41    42    37.50000  117.20000
   38    41    49    60.00000  120.58800
   38    41    50    15.00000   60.43100
   38    50    41    15.00000   59.14900
   41    38    39    37.50000  117.20000
   41    49    51    55.00000  125.06700
   41    49    59    65.00000  114.68000
   49    41    42    40.00000  112.45000
   49    51    52    35.00000  120.00000
   49    51    53    70.00000  124.00000
   49    59    57    90.00000  111.29400
   49    59    60    80.00000  123.72100
   51    53    54    35.00000  109.50000
   51    53    55    70.00000  112.02700
   51    53    57    85.00000  110.90400
   53    51    52    35.00000  117.00000
   53    55    56    37.50000  110.70000
   53    55    58    70.00000  112.02700
   53    55    67    58.35000  112.70000
   53    57    59    83.00000  116.90000
   55    53    54    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   55    67    66    50.00000  109.50000
   55    67    68    37.50000  110.70000
   55    67    69    58.35000  112.70000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    66    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   61    66    67    83.00000  116.90000
   66    61    62    83.00000  123.40000
   66    67    68    35.00000  109.50000
   66    67    69    50.00000  109.50000
   67    55    56    37.50000  110.70000
   67    55    58    70.00000  112.02700
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    40    58.35000  112.70000
   69    67    68    37.50000  110.70000
   69    40    43    58.35000  112.70000
   69    40    47    50.00000  109.50000
   71    69    70    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.37300
   40    69    70    37.50000  110.70000
   40    69    71    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   57    53    54    35.00000  109.50000
   57    53    55    50.00000  109.50000
   57    59    60    83.00000  123.40000
   59    49    51    65.00000  118.96000
   50    38    39    50.00000  114.27700
   50    38    41    15.00000   60.43100
   50    41    42    50.00000  114.27700
   50    41    49    85.00000  114.23300
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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    50   0.56750  1.0 1.0
   29    33    38    50  -0.07550 -1.0 2.0
   29    33    38    50   0.20000  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38   -41    50   0.02550  1.0 1.0
   33    38   -41    50  -0.02600 -1.0 2.0
   33    38   -41    50   1.20400  1.0 3.0
   33    38   -50    41   0.06250  1.0 1.0
   33    38   -50    41  -0.01100 -1.0 2.0
   33    38   -50    41   0.28050  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    50   0.23400  1.0 3.0
   34    33    40    69   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    69   0.47050  1.0 1.0
   38    33    40    69   0.03900 -1.0 2.0
   38    33    40    69   0.20100  1.0 3.0
   38    33    40    43   0.47050  1.0 1.0
   38    33    40    43   0.03900 -1.0 2.0
   38    33    40    43   0.20100  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41    49    51   0.09850  1.0 1.0
   38    41    49    51   0.15250 -1.0 2.0
   38    41    49    51  -0.50650  1.0 3.0
   38    41    49    59   0.09700  1.0 1.0
   38    41    49    59   0.15600 -1.0 2.0
   38    41    49    59  -0.50800  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38   -41    50   0.23400  1.0 3.0
   39    38   -50    41   0.36800  1.0 3.0
   41    49    51    52   7.00000 -1.0 2.0
   41    49    51    53   7.00000 -1.0 2.0
   41    49    59    57  -0.15000  1.0 1.0
   41    49    59    57   0.89550 -1.0 2.0
   41    49    59    57  -0.06900  1.0 3.0
   41    49    59    60  -0.64400  1.0 1.0
   41    49    59    60   0.26850 -1.0 2.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    59   0.15000  1.0 3.0
   42    41   -50    38   0.36800  1.0 3.0
   49    41   -50    38  -0.77900  1.0 1.0
   49    41   -50    38  -0.36900 -1.0 2.0
   49    41   -50    38   0.40400  1.0 3.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.09850  1.0 1.0
   49    51    53    55   0.15250 -1.0 2.0
   49    51    53    55  -0.50650  1.0 3.0
   49    51   -53    57   0.39000  1.0 1.0
   49    51   -53    57  -0.05800 -1.0 2.0
   49    51   -53    57  -0.55150  1.0 3.0
   51    49   -59    57  -0.56150  1.0 1.0
   51    49   -59    57   2.19150 -1.0 2.0
   51    49    59    60   1.00000 -1.0 2.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    58   0.31000  1.0 1.0
   51    53    55    58   0.14700 -1.0 2.0
   51    53    55    58   0.07550  1.0 3.0
   51    53    55    67   0.34400  1.0 1.0
   51    53    55    67   0.09450 -1.0 2.0
   51    53    55    67   0.11100  1.0 3.0
   51    53   -57    59  -0.82050  1.0 1.0
   51    53   -57    59   0.00600 -1.0 2.0
   51    53   -57    59   0.04400  1.0 3.0
   52    51    53    54   0.33100  1.0 3.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    57   0.00000  1.0 1.0
   53    55    58    61   0.09700  1.0 1.0
   53    55    58    61   0.15600 -1.0 2.0
   53    55    58    61  -0.50800  1.0 3.0
   53    55    58    63   0.09850  1.0 1.0
   53    55    58    63   0.15250 -1.0 2.0
   53    55    58    63  -0.50650  1.0 3.0
   53    55    67    66   0.62750  1.0 1.0
   53    55    67    66  -0.30950 -1.0 2.0
   53    55    67    66   0.27300  1.0 3.0
   53    55    67    68   0.15000  1.0 3.0
   53    55    67    69   0.56750  1.0 1.0
   53    55    67    69  -0.07550 -1.0 2.0
   53    55    67    69   0.20000  1.0 3.0
   53    57   -59    49   2.00000 -1.0 2.0
   53    57    59    60   3.00000 -1.0 2.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    55    67   0.15000  1.0 3.0
   54    53    57    59   0.08050  1.0 3.0
   55    53    57    59  -0.25900  1.0 1.0
   55    53    57    59  -0.47000 -1.0 2.0
   55    53    57    59   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    66  -0.15000  1.0 1.0
   55    58   -61    66   0.89550 -1.0 2.0
   55    58   -61    66  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   55    67    69    70   0.15000  1.0 3.0
   55    67    69    71   0.15000  1.0 3.0
   55    67    69    40   0.56750  1.0 1.0
   55    67    69    40  -0.07550 -1.0 2.0
   55    67    69    40   0.20000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   56    55    67    66   0.23400  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   58    55   -67    66   0.61850  1.0 1.0
   58    55   -67    66  -0.22750 -1.0 2.0
   58    55   -67    66   0.15300  1.0 3.0
   58    55    67    68   0.15000  1.0 3.0
   58    55    67    69   0.34400  1.0 1.0
   58    55    67    69   0.09450 -1.0 2.0
   58    55    67    69   0.11100  1.0 3.0
   58    61   -66    67   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   61    66   -67    55  -0.25900  1.0 1.0
   61    66   -67    55  -0.47000 -1.0 2.0
   61    66   -67    55   0.11750  1.0 3.0
   61    66    67    68   0.08050  1.0 3.0
   61    66    67    69  -0.25900  1.0 1.0
   61    66    67    69  -0.47000 -1.0 2.0
   61    66    67    69   0.11750  1.0 3.0
   62    61    66    67   3.00000 -1.0 2.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.23400  1.0 3.0
   66    67    69    40   0.62750  1.0 1.0
   66    67    69    40  -0.30950 -1.0 2.0
   66    67    69    40   0.27300  1.0 3.0
   67    55   -58    61   0.09700  1.0 1.0
   67    55   -58    61   0.15600 -1.0 2.0
   67    55   -58    61  -0.50800  1.0 3.0
   67    55    58    63   0.09850  1.0 1.0
   67    55    58    63   0.15250 -1.0 2.0
   67    55    58    63  -0.50650  1.0 3.0
   67    69    40    33   0.56750  1.0 1.0
   67    69    40    33  -0.07550 -1.0 2.0
   67    69    40    33   0.20000  1.0 3.0
   67    69    40    43   0.56750  1.0 1.0
   67    69    40    43  -0.07550 -1.0 2.0
   67    69    40    43   0.20000  1.0 3.0
   67    69    40    47   0.86500  1.0 1.0
   67    69    40    47  -0.17500 -1.0 2.0
   67    69    40    47   0.20800  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    40   0.15000  1.0 3.0
   69    40    43    44   0.15000  1.0 3.0
   69    40    43    45   0.15000  1.0 3.0
   69    40    43    46   0.15000  1.0 3.0
   69    40    47    48  -0.11600  1.0 1.0
   69    40    47    48  -0.09450 -1.0 2.0
   69    40    47    48   0.21250  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    43   0.15000  1.0 3.0
   70    69    40    47   0.23400  1.0 3.0
   71    69    40    33   0.15000  1.0 3.0
   71    69    40    43   0.15000  1.0 3.0
   71    69    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.07850  1.0 1.0
   40    33    38    41  -0.03950 -1.0 2.0
   40    33    38    41   0.67350  1.0 3.0
   40    33    38    50   0.02550  1.0 1.0
   40    33    38    50  -0.02600 -1.0 2.0
   40    33    38    50   1.20400  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    66  -0.56150  1.0 1.0
   63    58    61    66   2.19150 -1.0 2.0
   57    53    55    56   0.23400  1.0 3.0
   57    53    55    58   0.61850  1.0 1.0
   57    53    55    58  -0.22750 -1.0 2.0
   57    53    55    58   0.15300  1.0 3.0
   57    53    55    67   0.62750  1.0 1.0
   57    53    55    67  -0.30950 -1.0 2.0
   57    53    55    67   0.27300  1.0 3.0
   59    49    51    52   7.00000 -1.0 2.0
   59    49   -51    53   7.00000 -1.0 2.0
   50    38   -41    42   0.23400  1.0 3.0
   50    38   -41    49   0.61850  1.0 1.0
   50    38   -41    49  -0.22750 -1.0 2.0
   50    38   -41    49   0.15300  1.0 3.0
   50    41    49    51   0.39000  1.0 1.0
   50    41    49    51  -0.05800 -1.0 2.0
   50    41    49    51  -0.55150  1.0 3.0
   50    41    49    59   0.09700  1.0 1.0
   50    41    49    59   0.15600 -1.0 2.0
   50    41    49    59  -0.50800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   41    59    49    51   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    66    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
   49    57    59    60  10.50000 -1.0 2.0
END
