* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    127    213     378
    1     0 S   NP   _N1_     1    28.68976    96.31497   -21.46765
    2     1 S   H    _HN1     2     1.02950    77.45358    20.38591
    3     1 S   H    _H1_     3     1.02831    40.73584   156.48804
    4     1 S   H    _H2_     4     1.02783    91.93665   -87.97042
    5     1 S   CT   _CA1     5     1.50140   149.23825   129.33297
    6     5 S   HC   _HA1     6     1.09579   105.17471    77.89108
    7     5 S   CO3  _C1_     7     1.53770   112.24356   -42.19833
    8     7 S   O2Z  _O11     8     1.26367   115.03473   -46.26159
    9     7 S   O2Z  _O12     9     1.26228   114.91949   132.56480
   10     5 S   CT   _CB1    10     1.53067   107.37087  -164.31748
   11    10 S   HC   HB11    11     1.09828   109.29590   -50.29331
   12    10 S   HC   HB12    12     1.09813   110.49024    66.28453
   13    10 S   CT   _CG1    13     1.52980   112.64177  -171.32728
   14    13 S   HC   HG11    14     1.09504   110.42264   -65.27092
   15    13 S   HC   HG12    15     1.09659   109.94245    53.91257
   16    13 S   C    _CD1    16     1.51830   112.24576   174.22769
   17    16 S   O    _OE1    17     1.22742   123.25698     1.43463
   18    16 S   N    _N2_    18     1.38639   111.72920  -178.31391
   19    18 S   H    _HN2    19     1.01595   118.96023     0.95900
   20    18 S   CT1  _CA2    20     1.46312   123.35688   178.25796
   21    20 S   HC   _HA2    21     1.09735   109.38277    -3.30085
   22    20 S   C    _C2_    22     1.53432   108.57263  -118.79966
   23    22 S   O    _O2_    23     1.23045   122.31789  -148.49874
   24    20 S   CT   _CB2    32     1.53294   111.39852   118.73803
   25    24 S   HC   HB21    33     1.09386   109.62613    57.40954
   26    24 S   HC   HB22    34     1.09514   110.73896   175.62521
   27    22 S   N    _N3_    24     1.38347   113.58797    39.03960
   28    27 S   H    _HN3    25     1.01620   119.51759    -3.65409
   29    24 S   S    _SG2    35     1.82741   111.10475   -65.31491
   30    27 S   CT   _CA3    26     1.45286   123.16123   176.96849
   31    30 S   HC   HA31    27     1.09551   107.54494   -63.52176
   32    30 S   HC   HA32    28     1.09558   107.93026    52.89081
   33    29 S   CT   _C23    36     1.82929   100.26986   146.93573
   34    33 S   HC   _H3_    37     1.09647   109.49824    44.88943
   35    30 S   CO3  _C3_    29     1.52943   114.12101   174.87019
   36    35 S   O2Z  _O31    30     1.26370   116.06028    -0.35608
   37    35 S   O2Z  _O32    31     1.26430   114.41261   179.69610
   38    33 S   CM   _C14    38     1.51067   110.31680   166.62583
   39    33 S   CO4  _C22    69     1.50976   109.15413   -72.80048
   40    39 S   O    _O35    70     1.22760   122.73165    96.72190
   41    38 S   CA   _C7_    39     1.49649   113.40071   -90.54211
   42    38 S   CMA  _C15    58     1.36550   126.30175    92.39314
   43    42 S   OM   _O37    59     1.26952   127.12920   177.95694
   44    41 S   CA   _C8_    40     1.40242   117.00816    97.20398
   45    44 S   HA   _H6_    41     1.08780   120.59581     0.81253
   46    42 S   CA   _C16    60     1.51890   113.46508    -1.55658
   47    44 S   CA   _C9_    42     1.38606   120.42397  -179.25822
   48    47 S   HA   _H7_    43     1.08617   119.21295   179.87028
   49    46 S   CA   _C17    61     1.41170   120.68565  -161.99335
   50    49 S   HA   _H11    62     1.08838   120.80151     3.07848
   51    47 S   CA   _C10    44     1.39483   119.67784    -0.15577
   52    49 S   CA   _C18    63     1.39829   121.67077  -176.93261
   53    52 S   HA   _H12    64     1.08637   119.89918  -179.72732
   54    51 S   CA   _C11    45     1.42087   122.19168    -0.33102
   55    51 S   OH   _O34    56     1.37354   117.80047   179.84174
   56    55 S   HO   _H10    57     0.97169   109.20579     0.58047
   57    52 S   CA   _C19    65     1.38948   120.13823     0.56890
   58    57 S   HA   _H13    66     1.08649   119.84113   179.80119
   59    41 S   CA   _C6_    46     1.42588   122.49779   -82.86196
   60    57 S   CA   _C20    67     1.39049   119.54645    -0.74151
   61    59 S   CA   _C5_    47     1.41634   122.10629    -1.08426
   62    61 S   HA   _H5_    48     1.08829   120.74578    -0.63427
   63    46 S   CA   _C21    68     1.40615   122.28631    20.64406
   64    60 S   OH   _O36    71     1.36869   116.42887  -179.17528
   65    64 S   HO   _H14    72     0.97345   108.77193  -173.87238
   66    61 S   CA   _C4_    49     1.39331   122.20059   179.69545
   67    66 S   HA   _H4_    50     1.08602   119.99942   180.00000
   68    66 S   CA   _C13    51     1.38401   119.73455     0.10087
   69    68 S   HA   _H8_    52     1.08608   119.36092  -179.97202
   70    54 S   CA   _C12    53     1.42313   124.40502  -179.71401
   71    70 S   OH   _O33    54     1.37370   119.97030    -0.35277
   72    71 S   HO   _H9_    55     0.97164   109.22468   179.57022
  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
  12   6   2   1   1  14   9   3  14   9   3   8   4   8   7   3
   7   4   8   6   3  11   3   1   5   3   7   3   6   3   2   1
   1   5   3   4   2   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    42    63    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    59    42    43    46    60    63    39    40  
   38    41    42    63    39    40  
   36    37  
   37  
    0  
   41    44    45    47    54    59    61    42    43    46    49    63    39    40  
   40    64    41    42    46    49    57    60    63  
   46    60    63  
   44    45    47    48    51    54    59    61    62    66    70    42    43    46  
   43    46    49    50    52    60    63    44    59  
   46    49    63  
   45    47    48    51    54    59    61    55  
   47    48    51    59  
   49    50    52    53    57    60    63    64  
   48    51    54    59    70    55    56  
   51    54    55  
   50    52    53    57    58    60    63  
   52    53    57    63  
   54    59    61    68    70    71    55    56  
   53    57    58    60    63    64  
   57    58    60  
   59    61    62    66    68    69    70    71    72    55    56  
   56    59    70  
    0  
   58    60    63    64    65  
   60    63    64  
   61    62    66    67    68    70    71  
   63    64    65  
   62    66    67    68    69    70  
   66    67    68  
   64    65  
   65  
    0  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   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  1.522
   38    41   320.000  1.460
   38    42   465.000  1.376
   41    44   469.000  1.400
   41    59   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    54   469.000  1.400
   51    55   450.000  1.364
   54    59   469.000  1.400
   54    70   469.000  1.400
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   55    56   553.000  0.945
   42    43   745.000  1.250
   42    46   320.000  1.460
   46    49   469.000  1.400
   46    63   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    63   469.000  1.400
   60    64   450.000  1.364
   63    39   310.000  1.470
   39    40   570.000  1.229
   64    65   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    75.00000  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    60.00000  124.00000
   33    38    42    70.00000  124.00000
   33    39    63    65.00000  115.47100
   33    39    40    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    41    44    60.00000  118.70000
   38    41    59    60.00000  118.70000
   38    42    43    65.00000  137.10300
   38    42    46    60.00000  123.20500
   41    44    45    35.00000  120.00000
   41    44    47    63.00000  120.00000
   41    59    54    63.00000  120.00000
   41    59    61    63.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   47    44    45    35.00000  120.00000
   47    51    54    63.00000  120.00000
   47    51    55    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    54    59    63.00000  120.00000
   51    54    70    63.00000  120.00000
   51    55    56    35.00000  113.00000
   54    59    61    63.00000  120.00000
   54    70    68    63.00000  120.00000
   54    70    71    70.00000  120.00000
   59    41    44    63.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    66    63.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    68    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    54    59    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   55    51    54    70.00000  120.00000
   42    38    41    60.00000  123.66000
   42    46    49    60.00000  120.93500
   42    46    63    60.00000  120.93500
   46    42    43    85.00000  114.86500
   46    49    50    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    63    60    63.00000  120.00000
   46    63    39    60.00000  119.52600
   49    52    53    35.00000  120.00000
   49    52    57    63.00000  120.00000
   52    49    50    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    60    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    60    63    63.00000  120.00000
   57    60    64    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    63    39    60.00000  119.52600
   60    64    65    35.00000  113.00000
   63    46    49    63.00000  120.00000
   63    39    40    75.00000  123.78400
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  109.06800
   64    60    63    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    63   0.65300  1.0 1.0
   29    33    39    63  -0.03850 -1.0 2.0
   29    33    39    63   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    44  -0.02500  1.0 1.0
   33    38    41    44  -0.32150 -1.0 2.0
   33    38    41    44  -0.01500  1.0 3.0
   33    38    41    59  -0.02500  1.0 1.0
   33    38    41    59  -0.32150 -1.0 2.0
   33    38    41    59  -0.01500  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   34    33    38    41   0.77000  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    63   0.00000  1.0 1.0
   34    33    39    40   0.00000  1.0 1.0
   38    33    39    63   0.65300  1.0 1.0
   38    33    39    63  -0.03850 -1.0 2.0
   38    33    39    63   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    47   3.62500 -1.0 2.0
   38    41    59    54   3.62500 -1.0 2.0
   38    41    59    61   3.62500 -1.0 2.0
   38    42    46    49   0.15800  1.0 1.0
   38    42    46    49   1.85350 -1.0 2.0
   38    42    46    49  -0.48700  1.0 3.0
   38    42   -46    63   0.15800  1.0 1.0
   38    42   -46    63   1.85350 -1.0 2.0
   38    42   -46    63  -0.48700  1.0 3.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    46   7.00000 -1.0 2.0
   41    44    47    48   3.62500 -1.0 2.0
   41    44    47    51   3.62500 -1.0 2.0
   41    59    61    62   3.62500 -1.0 2.0
   41    59    61    66   3.62500 -1.0 2.0
   44    41    59    54   3.62500 -1.0 2.0
   44    41    59    61   3.62500 -1.0 2.0
   44    47   -51    54   3.62500 -1.0 2.0
   44    47    51    55   3.62500 -1.0 2.0
   45    44    47    48   3.62500 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   47    51    54    59   3.62500 -1.0 2.0
   47    51    54    70   3.62500 -1.0 2.0
   47    51    55    56   0.84100 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    54   -59    41   3.62500 -1.0 2.0
   51    54    59    61   3.62500 -1.0 2.0
   51    54    70    68   3.62500 -1.0 2.0
   51    54    70    71   3.62500 -1.0 2.0
   54    51    55    56   0.84100 -1.0 2.0
   54    59    61    62   3.62500 -1.0 2.0
   54    59    61    66   3.62500 -1.0 2.0
   54    70    71    72   0.84100 -1.0 2.0
   59    41    44    45   3.62500 -1.0 2.0
   59    41   -44    47   3.62500 -1.0 2.0
   59    54    70    68   3.62500 -1.0 2.0
   59    54    70    71   3.62500 -1.0 2.0
   59    61    66    67   3.62500 -1.0 2.0
   59    61   -66    68   3.62500 -1.0 2.0
   61    66    68    69   3.62500 -1.0 2.0
   61    66    68    70   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    68   3.62500 -1.0 2.0
   66    68   -70    54   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    54   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    54    59    41   3.62500 -1.0 2.0
   70    54   -59    61   3.62500 -1.0 2.0
   55    51    54    59   3.62500 -1.0 2.0
   55    51    54    70   3.62500 -1.0 2.0
   42    38    41    44   0.15800  1.0 1.0
   42    38    41    44   1.85350 -1.0 2.0
   42    38    41    44  -0.48700  1.0 3.0
   42    38    41    59   0.15800  1.0 1.0
   42    38    41    59   1.85350 -1.0 2.0
   42    38    41    59  -0.48700  1.0 3.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    52   3.62500 -1.0 2.0
   42    46    63    60   3.62500 -1.0 2.0
   42    46    63    39   3.62500 -1.0 2.0
   43    42    46    49  -0.01750  1.0 1.0
   43    42    46    49  -0.32000 -1.0 2.0
   43    42    46    49   0.00600  1.0 3.0
   43    42    46    63  -0.01750  1.0 1.0
   43    42    46    63  -0.32000 -1.0 2.0
   43    42    46    63   0.00600  1.0 3.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    63   -39    33   2.26350  1.0 1.0
   46    63   -39    33   0.76750 -1.0 2.0
   46    63   -39    33   0.22500  1.0 3.0
   46    63    39    40   1.05000 -1.0 2.0
   49    46    63    60   3.62500 -1.0 2.0
   49    46    63    39   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52   -57    60   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    57   3.62500 -1.0 2.0
   52    57    60    63   3.62500 -1.0 2.0
   52    57    60    64   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    60   3.62500 -1.0 2.0
   57    60   -63    46   3.62500 -1.0 2.0
   57    60    63    39   3.62500 -1.0 2.0
   57    60    64    65   0.84100 -1.0 2.0
   58    57    60    63   3.62500 -1.0 2.0
   58    57    60    64   3.62500 -1.0 2.0
   60    63    39    33   2.26350  1.0 1.0
   60    63    39    33   0.76750 -1.0 2.0
   60    63    39    33   0.22500  1.0 3.0
   60    63    39    40   1.05000 -1.0 2.0
   63    46    49    50   3.62500 -1.0 2.0
   63    46   -49    52   3.62500 -1.0 2.0
   63    60    64    65   0.84100 -1.0 2.0
   39    33    38    41   0.09700  1.0 1.0
   39    33    38    41   0.15600 -1.0 2.0
   39    33    38    41  -0.50800  1.0 3.0
   39    33   -38    42  -0.51250  1.0 1.0
   39    33   -38    42  -0.88800 -1.0 2.0
   39    33   -38    42   0.08850  1.0 3.0
   64    60    63    46   3.62500 -1.0 2.0
   64    60    63    39   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
   33    41    38    42   1.10000 -1.0 2.0
   44    59    41    38   4.00000 -1.0 2.0
   47    45    44    41   1.10000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   54    55    51    47   4.00000 -1.0 2.0
   59    70    54    51   4.00000 -1.0 2.0
   54    61    59    41   4.00000 -1.0 2.0
   66    62    61    59   1.10000 -1.0 2.0
   68    67    66    61   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   68    71    70    54   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    63    46    42   4.00000 -1.0 2.0
   52    50    49    46   1.10000 -1.0 2.0
   57    53    52    49   1.10000 -1.0 2.0
   60    58    57    52   1.10000 -1.0 2.0
   63    64    60    57   4.00000 -1.0 2.0
   60    39    63    46   4.00000 -1.0 2.0
   33    63    39    40  10.50000 -1.0 2.0
END
