* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    115    188     341
    1     0 S   NP   _N1_     1    31.78348   101.62621   -21.92263
    2     1 S   H    _HN1     2     1.02853    26.55091   -62.16013
    3     1 S   H    _H1_     3     1.02755    90.81997   167.65357
    4     1 S   H    _H2_     4     1.03476   134.11095   -76.70395
    5     1 S   CT   _CA1     5     1.50098    99.60297    56.07066
    6     5 S   HC   _HA1     6     1.09563   104.81716   154.54814
    7     5 S   CO3  _C1_     7     1.53655   112.85422    34.06900
    8     7 S   O2Z  _O11     8     1.26389   115.07436   -44.59530
    9     7 S   O2Z  _O12     9     1.26226   115.06544   134.27576
   10     5 S   CT   _CB1    10     1.53058   107.30942   -87.29838
   11    10 S   HC   HB11    11     1.09522   109.53040   -40.04551
   12    10 S   HC   HB12    12     1.09813   110.76580    75.73142
   13    10 S   CT   _CG1    13     1.53106   112.71267  -162.24645
   14    13 S   HC   HG11    14     1.09499   110.94863   -90.43198
   15    13 S   HC   HG12    15     1.09445   110.82774    28.84748
   16    13 S   C    _CD1    16     1.51600   109.28698   149.42544
   17    16 S   O    _OE1    17     1.22832   121.71491    80.92286
   18    16 S   N    _N2_    18     1.38569   112.72293   -95.15652
   19    18 S   H    _HN2    19     1.01633   119.23116    -7.57279
   20    18 S   CT1  _CA2    20     1.46115   123.48189   169.14863
   21    20 S   HC   _HA2    21     1.09718   109.17210    -7.39539
   22    20 S   C    _C2_    22     1.53963   108.96126  -122.82658
   23    22 S   O    _O2_    23     1.23113   121.98271  -157.71996
   24    20 S   CT   _CB2    32     1.53292   112.10384   115.18561
   25    24 S   HC   HB21    33     1.09439   110.12708    56.61564
   26    24 S   HC   HB22    34     1.09547   110.22682   173.93828
   27    22 S   N    _N3_    24     1.38333   114.26629    29.10094
   28    27 S   H    _HN3    25     1.01416   119.20458    -3.04176
   29    24 S   S    _SG2    35     1.82894   112.56560   -67.82859
   30    27 S   CT   _CA3    26     1.45338   123.27500   177.76087
   31    30 S   HC   HA31    27     1.09558   107.34206   -66.11100
   32    30 S   HC   HA32    28     1.09564   107.99466    50.14299
   33    29 S   CT   _C18    36     1.84260   100.15857   125.99707
   34    33 S   HC   _H3_    37     1.09672   104.95574    40.91590
   35    30 S   CO3  _C3_    29     1.53026   114.56444   172.21323
   36    35 S   O2Z  _O31    30     1.26407   116.41190    -3.28336
   37    35 S   O2Z  _O32    31     1.26417   114.41390   176.77075
   38    33 S   CA   _C9_    38     1.52420   111.98764   156.39854
   39    33 S   C5A  _C17    52     1.49564   111.06418   -76.58110
   40    38 S   CA   _C4_    39     1.40747   119.20430  -127.44809
   41    40 S   HA   _H24    40     1.08773   119.73096     0.66411
   42    39 S   C5B  _C10    53     1.37817   134.37445   112.33125
   43    42 S   OM   _O16    54     1.33211   125.99179     0.12354
   44    40 S   CA   _C12    41     1.39704   120.59449  -179.18627
   45    42 S   C56B _C8_    55     1.41579   108.31358  -179.09799
   46    44 S   CA   _C16    42     1.39012   120.25153     0.29141
   47    44 S   OH   _O18    50     1.36745   120.41882  -179.83331
   48    47 S   HO   _H29    51     0.97205   108.73078    -0.51851
   49    45 S   C56A _C11    56     1.39245   104.83423    -0.65492
   50    46 S   CA   _C13    43     1.39157   119.74247     0.19979
   51    46 S   OH   _O22    48     1.36725   119.70376  -180.00000
   52    51 S   HO   _H33    49     0.97381   107.18079  -179.80218
   53    49 S   CA   _C6_    57     1.39416   124.23179   179.80317
   54    53 S   HA   _H26    58     1.08324   121.69636  -179.53061
   55    39 S   OA   _O17    67     1.37151   116.89965   -67.23036
   56    38 S   CA   _C5_    44     1.40699   122.26524    54.18016
   57    56 S   HA   _H25    45     1.08723   120.06250    -0.63766
   58    50 S   OH   _O19    46     1.36793   118.67045   179.65452
   59    58 S   HO   _H30    47     0.97279   108.49177  -179.41216
   60    53 S   CA   _C14    59     1.39695   116.10307    -1.09379
   61    60 S   CA   _C7_    60     1.39579   122.17727     1.12865
   62    61 S   HA   _H27    61     1.08654   120.57586  -179.93439
   63    60 S   OH   _O20    65     1.36973   117.38227  -178.25124
   64    63 S   HO   _H31    66     0.97299   108.23863   169.16177
   65    45 S   CA   _C15    62     1.40894   137.39339   178.70502
   66    65 S   OH   _O21    63     1.37567   121.95980     0.47765
   67    66 S   HO   _H32    64     0.97563   106.71735     0.60003
  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   8   5   4   3
  14   6   2   1   1  12   9   9   4   8   4   8  10   9   3   1
   8   6   3   1   8   4   2   3   1   1   1   6   6   3   2   1
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    56    39    42    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    50    56    57    39    42    43    45    49    55  
   38    40    56    39    42    55  
   36    37  
   37  
    0  
   40    41    44    46    50    56    57    58    47    39    42    55  
   42    43    45    49    53    65    55    40    56  
   41    44    46    50    56    57    51    47    48  
   44    46    56    47  
   43    45    49    53    61    65    66    55  
   45    49    65    55  
   46    50    56    58    51    52    47    48  
   49    53    54    60    61    62    65    66    67    55  
   50    56    57    58    59    51    52    47    48  
   48    50    51  
    0  
   53    54    60    61    65    66    63    55  
   56    57    58    59    51    52  
   52    56    58  
    0  
   54    60    61    62    65    63    64    55  
   60    61    63    55  
   60    65  
   57    58    59  
   58  
   59  
    0  
   61    62    65    66    63    64  
   62    65    66    67    63    64  
   65    66    63  
   64    65  
    0  
   66    67  
   67  
    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   0.337500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.442700   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   55   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.177000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.039200   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   295.000  1.489
   38    40   469.000  1.400
   38    56   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    46   469.000  1.400
   44    47   450.000  1.364
   46    50   469.000  1.400
   46    51   450.000  1.364
   50    56   469.000  1.400
   50    58   450.000  1.364
   56    57   367.000  1.080
   58    59   553.000  0.945
   51    52   553.000  0.945
   47    48   553.000  0.945
   39    42   520.000  1.370
   39    55   340.000  1.360
   42    43   480.000  1.345
   42    45   380.000  1.440
   45    49   447.000  1.419
   45    65   469.000  1.404
   49    53   469.000  1.400
   49    55   425.000  1.380
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   450.000  1.364
   66    67   553.000  0.945
   63    64   553.000  0.945
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    80.00000  109.48900
   29    33    39    80.00000  109.48900
   33    38    40    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    42    55.00000  130.44200
   33    39    55    80.00000  116.10000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    63.00000  120.00000
   38    56    50    63.00000  120.00000
   38    56    57    35.00000  120.00000
   40    44    46    63.00000  120.00000
   40    44    47    70.00000  120.00000
   44    40    41    35.00000  120.00000
   44    46    50    63.00000  120.00000
   44    46    51    70.00000  120.00000
   44    47    48    35.00000  113.00000
   46    50    56    63.00000  120.00000
   46    50    58    70.00000  120.00000
   46    51    52    35.00000  113.00000
   50    56    57    35.00000  120.00000
   50    58    59    35.00000  113.00000
   56    38    40    63.00000  120.00000
   58    50    56    70.00000  120.00000
   51    46    50    70.00000  120.00000
   47    44    46    70.00000  120.00000
   39    33    34    45.00000  110.47400
   39    33    38    70.00000  112.04700
   39    42    43    75.00000  125.18600
   39    42    45    80.00000  105.82900
   39    55    49   110.00000  105.28000
   42    45    49    80.00000  107.43600
   42    45    65    50.00000  134.85500
   45    42    43    70.00000  112.00000
   45    49    53    85.00000  122.70000
   45    49    55   100.00000  108.43400
   45    65    61    63.00000  120.00000
   45    65    66    70.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    60    85.00000  120.00000
   53    60    61    63.00000  120.00000
   53    60    63    70.00000  120.00000
   60    53    54    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    66    70.00000  120.00000
   65    45    49    85.00000  116.20000
   65    61    62    35.00000  120.00000
   65    66    67    35.00000  113.00000
   63    60    61    70.00000  120.00000
   55    39    42    70.00000  108.00000
   55    49    53    70.00000  124.10000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    42  -0.16000  1.0 1.0
   29    33    39    42  -0.03200 -1.0 2.0
   29    33    39    42   0.04500  1.0 3.0
   29    33    39    55   0.04300 -1.0 2.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    56    50   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    42    43   3.62500 -1.0 2.0
   33    39    42    45   3.62500 -1.0 2.0
   33    39    55    49   3.62500 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    55   0.00000  1.0 1.0
   38    33    39    42   0.04300 -1.0 2.0
   38    33    39    55   0.04300 -1.0 2.0
   38    40    44    46   3.62500 -1.0 2.0
   38    40    44    47   3.62500 -1.0 2.0
   40    38    56    50   3.62500 -1.0 2.0
   40    38    56    57   3.62500 -1.0 2.0
   40    44   -46    50   3.62500 -1.0 2.0
   40    44    46    51   3.62500 -1.0 2.0
   40    44    47    48   0.84100 -1.0 2.0
   41    40    44    46   3.62500 -1.0 2.0
   41    40    44    47   3.62500 -1.0 2.0
   44    46    50    56   3.62500 -1.0 2.0
   44    46    50    58   3.62500 -1.0 2.0
   44    46    51    52   0.84100 -1.0 2.0
   46    44    47    48   0.84100 -1.0 2.0
   46    50   -56    38   3.62500 -1.0 2.0
   46    50    56    57   3.62500 -1.0 2.0
   46    50    58    59   0.84100 -1.0 2.0
   50    46    51    52   0.84100 -1.0 2.0
   56    38    40    41   3.62500 -1.0 2.0
   56    38   -40    44   3.62500 -1.0 2.0
   56    50    58    59   0.84100 -1.0 2.0
   58    50    56    38   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   51    46    50    56   3.62500 -1.0 2.0
   51    46    50    58   3.62500 -1.0 2.0
   47    44    46    50   3.62500 -1.0 2.0
   47    44    46    51   3.62500 -1.0 2.0
   39    33    38    40   0.04300 -1.0 2.0
   39    33    38    56   0.04300 -1.0 2.0
   39    42   -45    49   3.50000 -1.0 2.0
   39    42    45    65   3.62500 -1.0 2.0
   42    39   -55    49   3.62500 -1.0 2.0
   42    45    49    53   3.00000 -1.0 2.0
   42    45   -49    55   3.62500 -1.0 2.0
   42    45    65    61   3.62500 -1.0 2.0
   42    45    65    66   3.62500 -1.0 2.0
   43    42    45    49   3.62500 -1.0 2.0
   43    42    45    65   3.62500 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    60   3.62500 -1.0 2.0
   45    49   -55    39   3.62500 -1.0 2.0
   45    65    66    67   0.84100 -1.0 2.0
   49    45    65    61   3.50000 -1.0 2.0
   49    45    65    66   3.62500 -1.0 2.0
   49    53   -60    61   3.62500 -1.0 2.0
   49    53    60    63   3.62500 -1.0 2.0
   53    49    55    39   3.62500 -1.0 2.0
   53    60    61    62   3.62500 -1.0 2.0
   53    60    61    65   3.62500 -1.0 2.0
   53    60    63    64   0.84100 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   54    53    60    63   3.62500 -1.0 2.0
   60    61   -65    45   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65    66    67   0.84100 -1.0 2.0
   62    61    65    45   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   65    45   -49    53   3.00000 -1.0 2.0
   65    45    49    55   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   55    39    42    43   3.62500 -1.0 2.0
   55    39   -42    45   3.62500 -1.0 2.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    60   3.62500 -1.0 2.0
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
   40    56    38    33   4.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   46    47    44    40   4.00000 -1.0 2.0
   50    51    46    44   4.00000 -1.0 2.0
   56    58    50    46   4.00000 -1.0 2.0
   50    57    56    38   1.10000 -1.0 2.0
   42    55    39    33   4.00000 -1.0 2.0
   45    43    42    39   4.00000 -1.0 2.0
   49    65    45    42   4.00000 -1.0 2.0
   53    55    49    45   4.00000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   61    63    60    53   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   61    66    65    45   4.00000 -1.0 2.0
END
