* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    114    184     341
    1     0 S   NP   _N1_     1    28.72762    93.96606   -20.95050
    2     1 S   H    _HN1     2     1.02856    95.87190     7.18788
    3     1 S   H    _H1_     3     1.02974    33.07847   120.07160
    4     1 S   H    _H2_     4     1.02790    82.76770  -100.52772
    5     1 S   CT   _CA1     5     1.50560   141.39937   142.79272
    6     5 S   HC   _HA1     6     1.09679   104.62799    50.77051
    7     5 S   CO3  _C1_     7     1.54462   110.85465   -65.04305
    8     7 S   O2Z  _O11     8     1.26090   116.79433  -121.80967
    9     7 S   O2Z  _O12     9     1.26559   113.73967    57.27461
   10     5 S   CT   _CB1    10     1.53071   106.98911   166.90033
   11    10 S   HC   HB11    11     1.09837   110.01615   -41.67528
   12    10 S   HC   HB12    12     1.09792   110.04470    74.91657
   13    10 S   CT   _CG1    13     1.53095   112.52619  -162.34995
   14    13 S   HC   HG11    14     1.09471   110.88018   -54.48226
   15    13 S   HC   HG12    15     1.09636   109.99906    64.51943
   16    13 S   C    _CD1    16     1.51778   111.87656  -175.47268
   17    16 S   O    _OE1    17     1.22754   123.11047   -11.44326
   18    16 S   N    _N2_    18     1.38578   111.84514   169.04567
   19    18 S   H    _HN2    19     1.01586   119.16390     2.05595
   20    18 S   CT1  _CA2    20     1.46257   123.22834  -176.65502
   21    20 S   HC   _HA2    21     1.09720   109.44220    -8.24936
   22    20 S   C    _C2_    22     1.53363   108.65481  -124.20614
   23    22 S   O    _O2_    23     1.23025   122.17369  -146.43103
   24    20 S   CT   _CB2    32     1.53395   111.12528   113.53313
   25    24 S   HC   HB21    33     1.09450   109.38190    59.35990
   26    24 S   HC   HB22    34     1.09521   110.68614   177.42762
   27    22 S   N    _N3_    24     1.38487   113.44966    40.94763
   28    27 S   H    _HN3    25     1.01517   118.92067    -0.59446
   29    24 S   S    _SG2    35     1.82997   111.53306   -63.08204
   30    27 S   CT   _CA3    26     1.45449   123.44687   175.16734
   31    30 S   HC   HA31    27     1.09523   109.24417    24.36770
   32    30 S   HC   HA32    28     1.09497   107.12188   141.36430
   33    29 S   CT   _C10    36     1.84255   100.01190   147.60779
   34    33 S   HC   _H3_    37     1.09361   104.31407    50.33629
   35    30 S   CO3  _C3_    29     1.52920   113.09778   -99.11992
   36    35 S   O2Z  _O31    30     1.26403   115.39063   -45.00612
   37    35 S   O2Z  _O32    31     1.26354   114.99329   135.92752
   38    33 S   CA   _C9_    38     1.52134   112.87135   -67.51573
   39    33 S   CM   _C11    51     1.51600   107.99503   168.32629
   40    39 S   HC   _H7_    52     1.09352   114.05907    60.80285
   41    38 S   CA   _C4_    39     1.40629   119.09123   126.42239
   42    41 S   HA   _H4_    40     1.08770   120.25933    -0.21850
   43    39 S   CMA  _C12    53     1.35861   129.93744  -118.72489
   44    43 S   OM   _O36    54     1.26603   126.84464   178.29452
   45    41 S   CA   _C5_    41     1.39612   121.01587   179.92598
   46    45 S   HA   _H5_    42     1.08604   119.36294   179.81548
   47    43 S   CA   _C13    55     1.49886   114.40500    -0.33338
   48    45 S   CA   _C6_    43     1.39193   119.63996    -0.16786
   49    47 S   CA   _C14    56     1.40898   121.12202    93.68062
   50    48 S   CA   _C7_    44     1.39213   120.17673    -0.22381
   51    48 S   OH   _O38    49     1.36732   120.42835   179.79537
   52    51 S   HO   _H14    50     0.97189   108.72897     0.55355
   53    49 S   CA   _C15    57     1.39550   121.22484  -178.93027
   54    53 S   HA   _H8_    58     1.08643   120.24737   179.70261
   55    49 S   OH   _O35    67     1.37130   122.32955     0.95613
   56    55 S   HO   _H12    68     0.97330   108.30726     6.64172
   57    38 S   CA   _C8_    45     1.40637   122.38249   -54.41504
   58    57 S   HA   _H6_    46     1.08742   120.13432    -0.02798
   59    50 S   OH   _O37    47     1.36713   119.02259  -179.95154
   60    59 S   HO   _H13    48     0.97611   109.36986  -177.94920
   61    53 S   CA   _C16    59     1.39118   119.45143    -0.54536
   62    61 S   CA   _C17    60     1.39276   120.92821    -0.02798
   63    62 S   HA   _H9_    61     1.08591   120.32185  -179.91377
   64    61 S   OH   _O34    65     1.36688   118.07664  -179.92598
   65    64 S   HO   _H11    66     0.97226   108.64934   179.58082
   66    47 S   CA   _C18    62     1.40895   121.01812   -86.07684
   67    66 S   OH   _O33    63     1.37156   119.47382    -0.37220
   68    67 S   HO   _H10    64     0.97137   109.05214  -178.18124
  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
  13   6   2   1   1  12   8   3   8   4   8   3   7   3  11   7
   9   6   3   1   9   4   3   1   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    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    57    58    59    39    40    43  
   40    43    44    47    49    66    41    57  
   43    44    47  
   42    45    46    48    50    57    58    51  
   45    46    48    57  
   44    47    49    53    62    66    67    55  
   47    49    66  
   46    48    50    57    59    51    52  
   48    50    51  
   49    53    54    61    62    63    66    67    68    55    56  
   50    57    58    59    60    51    52  
   53    54    61    62    66    67    64    55    56  
   57    58    59    60    51    52  
   52    57    59  
    0  
   54    61    62    63    66    64    65    55    56  
   61    62    64    55  
   56    61    66  
    0  
   58    59    60  
   59  
   60  
    0  
   62    63    66    67    64    65  
   63    66    67    68    64    65  
   66    67    64  
   65    66  
    0  
   67    68  
   68  
    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   0.222500   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   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   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    57   469.000  1.400
   50    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    66   469.000  1.400
   49    53   469.000  1.400
   49    55   450.000  1.364
   53    54   367.000  1.080
   53    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   450.000  1.364
   67    68   553.000  0.945
   64    65   553.000  0.945
   55    56   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    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    50    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    51    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    57    63.00000  120.00000
   48    50    59    70.00000  120.00000
   48    51    52    35.00000  113.00000
   50    57    58    35.00000  120.00000
   50    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    50    57    70.00000  120.00000
   51    48    50    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    66    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    53    63.00000  120.00000
   47    49    55    70.00000  120.00000
   47    66    62    63.00000  120.00000
   47    66    67    70.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    61    63.00000  120.00000
   49    55    56    35.00000  113.00000
   53    61    62    63.00000  120.00000
   53    61    64    70.00000  120.00000
   61    53    54    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    70.00000  120.00000
   66    47    49    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    67    68    35.00000  113.00000
   64    61    62    70.00000  120.00000
   55    49    53    70.00000  120.00000
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   0.32350  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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    50   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    50   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    51   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    57   3.62500 -1.0 2.0
   45    48    50    59   3.62500 -1.0 2.0
   45    48    51    52   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    50   -57    38   3.62500 -1.0 2.0
   48    50    57    58   3.62500 -1.0 2.0
   48    50    59    60   0.84100 -1.0 2.0
   50    48    51    52   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    50    59    60   0.84100 -1.0 2.0
   59    50    57    38   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   51    48    50    57   3.62500 -1.0 2.0
   51    48    50    59   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    66   0.15800  1.0 1.0
   39    43    47    66   1.85350 -1.0 2.0
   39    43    47    66  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    53   3.62500 -1.0 2.0
   43    47    49    55   3.62500 -1.0 2.0
   43    47    66    62   3.62500 -1.0 2.0
   43    47    66    67   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    66  -0.01750  1.0 1.0
   44    43    47    66  -0.32000 -1.0 2.0
   44    43    47    66   0.00600  1.0 3.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    61   3.62500 -1.0 2.0
   47    49    55    56   0.84100 -1.0 2.0
   47    66    67    68   0.84100 -1.0 2.0
   49    47    66    62   3.62500 -1.0 2.0
   49    47    66    67   3.62500 -1.0 2.0
   49    53   -61    62   3.62500 -1.0 2.0
   49    53    61    64   3.62500 -1.0 2.0
   53    49    55    56   0.84100 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   53    61    62    66   3.62500 -1.0 2.0
   53    61    64    65   0.84100 -1.0 2.0
   54    53    61    62   3.62500 -1.0 2.0
   54    53    61    64   3.62500 -1.0 2.0
   61    62   -66    47   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66    67    68   0.84100 -1.0 2.0
   63    62    66    47   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   66    47   -49    53   3.62500 -1.0 2.0
   66    47    49    55   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    61   3.62500 -1.0 2.0
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
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    51    48    45   4.00000 -1.0 2.0
   57    59    50    48   4.00000 -1.0 2.0
   50    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    66    47    43   4.00000 -1.0 2.0
   53    55    49    47   4.00000 -1.0 2.0
   61    54    53    49   1.10000 -1.0 2.0
   62    64    61    53   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    67    66    47   4.00000 -1.0 2.0
END
