* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    128    215     382
    1     0 S   NP   _N1_     1    31.09819   100.66724   -22.97141
    2     1 S   H    _HN1     2     1.02821     5.93379   171.21284
    3     1 S   H    _H1_     3     1.02786   113.42831   170.10487
    4     1 S   H    _H2_     4     1.03380   106.11931   -72.60892
    5     1 S   CT   _CA1     5     1.50034   108.07742    46.63050
    6     5 S   HC   _HA1     6     1.09331   104.68114  -172.48668
    7     5 S   CO3  _C1_     7     1.53753   112.66946    67.85413
    8     7 S   O2Z  _O11     8     1.26345   115.21045   -41.29450
    9     7 S   O2Z  _O12     9     1.26330   115.03563   138.03161
   10     5 S   CT   _CB1    10     1.53404   107.38811   -53.54371
   11    10 S   HC   HB11    11     1.09793   109.88984   -42.36240
   12    10 S   HC   HB12    12     1.09790   109.39257    74.10562
   13    10 S   CT   _CG1    13     1.53104   113.98876  -164.81342
   14    13 S   HC   HG11    14     1.09691   109.32873  -163.27523
   15    13 S   HC   HG12    15     1.09320   112.02276   -45.48720
   16    13 S   C    _CD1    16     1.51478   111.21415    79.06873
   17    16 S   O    _OE1    17     1.22900   121.51570    82.51778
   18    16 S   N    _N2_    18     1.38207   113.39061   -95.38095
   19    18 S   H    _HN2    19     1.01633   119.15123     0.76156
   20    18 S   CT1  _CA2    20     1.46400   123.42536   178.30188
   21    20 S   HC   _HA2    21     1.09750   109.37896    12.13008
   22    20 S   C    _C2_    22     1.53564   108.48890  -103.58564
   23    22 S   O    _O2_    23     1.23063   122.45923  -138.36062
   24    20 S   CT   _CB2    32     1.53348   111.11391   134.03397
   25    24 S   HC   HB21    33     1.09357   109.16314    56.54698
   26    24 S   HC   HB22    34     1.09520   110.48861   174.98968
   27    22 S   N    _N3_    24     1.38520   113.77887    48.59189
   28    27 S   H    _HN3    25     1.01548   119.66062    -0.44146
   29    24 S   S    _SG2    35     1.83361   110.74845   -65.90535
   30    27 S   CT   _CA3    26     1.45365   122.81929   177.08839
   31    30 S   HC   HA31    27     1.09546   107.18471   -73.13224
   32    30 S   HC   HA32    28     1.09568   108.30733    43.26757
   33    29 S   CT   _C11    36     1.86211   101.90097   152.96954
   34    33 S   OM   _O40    37     1.31716   109.94044    57.78348
   35    30 S   CO3  _C3_    29     1.52853   114.52258   165.59757
   36    35 S   O2Z  _O31    30     1.26403   116.28392     1.03703
   37    35 S   O2Z  _O32    31     1.26390   114.48980  -178.34566
   38    33 S   CM   _C12    38     1.54229   108.87253  -177.98190
   39    38 S   CA   _C14    39     1.50932   117.36582   -95.78979
   40    38 S   CMA  _C13    58     1.37490   125.37269    84.05274
   41    40 S   OM   _O34    59     1.27213   126.96835   179.87180
   42    39 S   CA   _C19    40     1.42591   123.43489   -87.24239
   43    40 S   CA   _C8_    60     1.52426   114.24615     0.17914
   44    42 S   CA   _C18    41     1.40529   119.18203   178.26021
   45    43 S   CA   _C9_    61     1.40555   120.75358    21.61055
   46    44 S   CA   _C17    42     1.40552   120.29950     1.63279
   47    44 S   CO4  _C23    50     1.47252   119.86722  -177.73152
   48    47 S   O    _O36    51     1.22609   122.03029  -172.41299
   49    45 S   CA   _C4_    62     1.40316   122.68337   177.22251
   50    49 S   HA   _H3_    63     1.08659   120.56677   179.10562
   51    33 S   CO4  _C10    72     1.52702   108.00962   -61.74350
   52    51 S   O    _O33    73     1.22919   125.84197   105.17491
   53    46 S   CA   _C16    43     1.38828   120.80639    -0.34943
   54    53 S   HA   _H5_    44     1.08642   119.83846   179.65282
   55    46 S   OH   _O38    48     1.37048   123.72750   179.80617
   56    55 S   HO   _H7_    49     0.97361   108.90296    -1.61447
   57    47 S   CM   _C22    52     1.46706   118.02870     9.31182
   58    57 S   HC   _H6_    53     1.08797   114.95933   170.25192
   59    49 S   CA   _C5_    64     1.38764   119.29182     0.70582
   60    39 S   CA   _C15    45     1.41207   117.78142    93.06512
   61    57 S   CMA  _C21    54     1.34054   125.19482   -10.54398
   62    61 S   OM   _O37    55     1.26342   128.24160  -179.51827
   63    59 S   CA   _C6_    65     1.38658   120.39675    -0.49337
   64    63 S   HA   _H4_    66     1.08656   120.22602   179.71469
   65    59 S   OH   _O42    70     1.36551   121.17528   178.41860
   66    65 S   HO   _H10    71     0.97615   108.50815   -10.72770
   67    60 S   OH   _O39    46     1.37226   120.02571     1.51878
   68    67 S   HO   _H8_    47     0.97096   109.19575   179.63577
   69    42 S   CO4  _C20    56     1.50088   122.16249    -2.90016
   70    69 S   O    _O35    57     1.22903   120.49914   -15.65465
   71    43 S   CA   _C7_    67     1.41648   123.46771  -160.80969
   72    71 S   OH   _O41    68     1.37393   122.89064     3.19255
   73    72 S   HO   _H9_    69     0.97592   107.06188    -4.90652
  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  16  10   3  13  11  13   9  10   8   3
   9   4   3   1   6   3   2   1   5   3   6   3   3   2   6   3
   2   1   1   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    51    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    60    40    41    43    45    49    51    52  
   38    39    40    45    51    52  
   36    37  
   37  
    0  
   39    42    44    53    60    67    69    40    41    43    45    71    51    52  
   42    44    46    53    54    60    67    68    47    61    69    70    40    41    43    51  
   41    43    45    49    63    71    72    51    42    60  
   43    45    71  
   44    46    53    60    67    55    47    48    57    61    62    69    70  
   45    49    50    59    63    64    71    72    73    51    52  
   46    53    54    60    55    56    47    48    57    58    61    69    70  
   49    50    59    63    71    72    65    51    52  
   53    54    60    67    55    56    47    48    57    69  
   48    57    58    61    62    69    53    55  
   57    58    61  
   50    59    63    64    71    65    66    51    52  
   59    63    65    51  
   52    59    71  
    0  
   54    60    67    68    55    56  
   60    67    55  
   56    60  
    0  
   58    61    62    69    70  
   61    62    69  
   63    64    71    72    65    66  
   67    68    69  
   62    69    70  
   69    70  
   64    71    72    73    65    66  
   71    72    65  
   66    71  
    0  
   68  
    0  
   70  
    0  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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   570.000  1.307
   33    38   317.000  1.510
   33    51   317.000  1.522
   38    39   320.000  1.460
   38    40   465.000  1.376
   39    42   469.000  1.400
   39    60   469.000  1.400
   42    44   469.000  1.400
   42    69   310.000  1.470
   44    46   469.000  1.400
   44    47   310.000  1.470
   46    53   469.000  1.400
   46    55   450.000  1.364
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    67   450.000  1.364
   67    68   553.000  0.945
   55    56   553.000  0.945
   47    48   570.000  1.229
   47    57   320.000  1.462
   57    58   340.000  1.080
   57    61   465.000  1.376
   61    62   745.000  1.250
   61    69   270.000  1.476
   69    70   570.000  1.229
   40    41   745.000  1.250
   40    43   320.000  1.460
   43    45   469.000  1.400
   43    71   469.000  1.400
   45    49   469.000  1.400
   45    51   310.000  1.470
   49    50   367.000  1.080
   49    59   469.000  1.400
   59    63   469.000  1.400
   59    65   450.000  1.364
   63    64   367.000  1.080
   63    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   65    66   553.000  0.945
   51    52   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  110.18000
   33    38    39    60.00000  124.00000
   33    38    40    70.00000  124.00000
   33    51    45    65.00000  115.47100
   33    51    52    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    39    42    60.00000  118.70000
   38    39    60    60.00000  118.70000
   38    40    41    65.00000  137.10300
   38    40    43    60.00000  123.20500
   39    42    44    63.00000  120.00000
   39    42    69    60.00000  119.52600
   39    60    53    63.00000  120.00000
   39    60    67    70.00000  120.00000
   42    44    46    63.00000  120.00000
   42    44    47    60.00000  119.52600
   42    69    61    60.00000  117.44000
   42    69    70    75.00000  123.78400
   44    46    53    63.00000  120.00000
   44    46    55    70.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    57    65.00000  117.02400
   46    53    54    35.00000  120.00000
   46    53    60    63.00000  120.00000
   46    55    56    35.00000  113.00000
   53    60    67    70.00000  120.00000
   60    39    42    63.00000  120.00000
   60    53    54    35.00000  120.00000
   60    67    68    35.00000  113.00000
   55    46    53    70.00000  120.00000
   47    44    46    60.00000  119.52600
   47    57    58    40.00000  117.72500
   47    57    61    60.00000  125.92000
   57    47    48    80.00000  123.72100
   57    61    62    65.00000  137.10300
   57    61    69    65.00000  114.61000
   61    57    58    40.00000  120.50800
   61    69    70    80.00000  120.81000
   69    42    44    60.00000  119.52600
   69    61    62    85.00000  116.28000
   40    38    39    60.00000  123.66000
   40    43    45    60.00000  120.93500
   40    43    71    60.00000  120.93500
   43    40    41    85.00000  114.86500
   43    45    49    63.00000  120.00000
   43    45    51    60.00000  119.52600
   43    71    63    63.00000  120.00000
   43    71    72    70.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    59    63.00000  120.00000
   45    51    52    75.00000  123.78400
   49    59    63    63.00000  120.00000
   49    59    65    70.00000  120.00000
   59    49    50    35.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    71    63.00000  120.00000
   59    65    66    35.00000  113.00000
   63    71    72    70.00000  120.00000
   71    43    45    63.00000  120.00000
   71    63    64    35.00000  120.00000
   71    72    73    35.00000  113.00000
   65    59    63    70.00000  120.00000
   51    33    34    90.00000  108.74100
   51    33    38    70.00000  109.06800
   51    45    49    60.00000  119.52600
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    51    45   0.65300  1.0 1.0
   29    33    51    45  -0.03850 -1.0 2.0
   29    33    51    45   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   33    38    39    42  -0.02500  1.0 1.0
   33    38    39    42  -0.32150 -1.0 2.0
   33    38    39    42  -0.01500  1.0 3.0
   33    38    39    60  -0.02500  1.0 1.0
   33    38    39    60  -0.32150 -1.0 2.0
   33    38    39    60  -0.01500  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    43   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    51    45   0.65300  1.0 1.0
   34    33    51    45  -0.03850 -1.0 2.0
   34    33    51    45   0.33900  1.0 3.0
   34    33    51    52   0.30150 -1.0 2.0
   38    33    51    45   0.65300  1.0 1.0
   38    33    51    45  -0.03850 -1.0 2.0
   38    33    51    45   0.33900  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38    39    42    44   3.62500 -1.0 2.0
   38    39    42    69   3.62500 -1.0 2.0
   38    39    60    53   3.62500 -1.0 2.0
   38    39    60    67   3.62500 -1.0 2.0
   38    40   -43    45   0.15800  1.0 1.0
   38    40   -43    45   1.85350 -1.0 2.0
   38    40   -43    45  -0.48700  1.0 3.0
   38    40    43    71   0.15800  1.0 1.0
   38    40    43    71   1.85350 -1.0 2.0
   38    40    43    71  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    43   7.00000 -1.0 2.0
   39    42    44    46   3.62500 -1.0 2.0
   39    42    44    47   3.62500 -1.0 2.0
   39    42    69    61  -0.11500  1.0 1.0
   39    42    69    61   1.10450 -1.0 2.0
   39    42    69    61  -0.48050  1.0 3.0
   39    42    69    70   1.05000 -1.0 2.0
   39    60    67    68   0.84100 -1.0 2.0
   42    39    60    53   3.62500 -1.0 2.0
   42    39    60    67   3.62500 -1.0 2.0
   42    44   -46    53   3.62500 -1.0 2.0
   42    44    46    55   3.62500 -1.0 2.0
   42    44    47    48   1.05000 -1.0 2.0
   42    44    47    57  -0.11500  1.0 1.0
   42    44    47    57   1.10450 -1.0 2.0
   42    44    47    57  -0.48050  1.0 3.0
   44    42    69    61  -0.11500  1.0 1.0
   44    42    69    61   1.10450 -1.0 2.0
   44    42    69    61  -0.48050  1.0 3.0
   44    42    69    70   1.05000 -1.0 2.0
   44    46    53    54   3.62500 -1.0 2.0
   44    46    53    60   3.62500 -1.0 2.0
   44    46    55    56   0.84100 -1.0 2.0
   44    47    57    58   1.64500 -1.0 2.0
   44    47   -57    61  -1.65800  1.0 1.0
   44    47   -57    61   0.77650 -1.0 2.0
   46    44    47    48   1.05000 -1.0 2.0
   46    44    47    57  -0.11500  1.0 1.0
   46    44    47    57   1.10450 -1.0 2.0
   46    44    47    57  -0.48050  1.0 3.0
   46    53   -60    39   3.62500 -1.0 2.0
   46    53    60    67   3.62500 -1.0 2.0
   53    46    55    56   0.84100 -1.0 2.0
   53    60    67    68   0.84100 -1.0 2.0
   54    53    60    39   3.62500 -1.0 2.0
   54    53    60    67   3.62500 -1.0 2.0
   60    39   -42    44   3.62500 -1.0 2.0
   60    39    42    69   3.62500 -1.0 2.0
   55    46    53    54   3.62500 -1.0 2.0
   55    46    53    60   3.62500 -1.0 2.0
   47    44    46    53   3.62500 -1.0 2.0
   47    44    46    55   3.62500 -1.0 2.0
   47    57    61    62   7.00000 -1.0 2.0
   47    57    61    69   7.00000 -1.0 2.0
   48    47    57    58   0.00000  1.0 1.0
   48    47    57    61   1.00000 -1.0 2.0
   57    61   -69    42  -1.65800  1.0 1.0
   57    61   -69    42   0.77650 -1.0 2.0
   57    61    69    70   1.00000 -1.0 2.0
   58    57    61    62   7.00000 -1.0 2.0
   58    57    61    69   7.00000 -1.0 2.0
   62    61    69    42   1.50000 -1.0 2.0
   62    61    69    70  -0.11900  1.0 1.0
   62    61    69    70   0.76850 -1.0 2.0
   62    61    69    70   0.14100  1.0 3.0
   69    42    44    46   3.62500 -1.0 2.0
   69    42   -44    47   3.62500 -1.0 2.0
   40    38    39    42   0.15800  1.0 1.0
   40    38    39    42   1.85350 -1.0 2.0
   40    38    39    42  -0.48700  1.0 3.0
   40    38    39    60   0.15800  1.0 1.0
   40    38    39    60   1.85350 -1.0 2.0
   40    38    39    60  -0.48700  1.0 3.0
   40    43    45    49   3.62500 -1.0 2.0
   40    43    45    51   3.62500 -1.0 2.0
   40    43    71    63   3.62500 -1.0 2.0
   40    43    71    72   3.62500 -1.0 2.0
   41    40    43    45  -0.01750  1.0 1.0
   41    40    43    45  -0.32000 -1.0 2.0
   41    40    43    45   0.00600  1.0 3.0
   41    40    43    71  -0.01750  1.0 1.0
   41    40    43    71  -0.32000 -1.0 2.0
   41    40    43    71   0.00600  1.0 3.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    59   3.62500 -1.0 2.0
   43    45   -51    33   2.26350  1.0 1.0
   43    45   -51    33   0.76750 -1.0 2.0
   43    45   -51    33   0.22500  1.0 3.0
   43    45    51    52   1.05000 -1.0 2.0
   43    71    72    73   0.84100 -1.0 2.0
   45    43    71    63   3.62500 -1.0 2.0
   45    43    71    72   3.62500 -1.0 2.0
   45    49   -59    63   3.62500 -1.0 2.0
   45    49    59    65   3.62500 -1.0 2.0
   49    45    51    33   2.26350  1.0 1.0
   49    45    51    33   0.76750 -1.0 2.0
   49    45    51    33   0.22500  1.0 3.0
   49    45    51    52   1.05000 -1.0 2.0
   49    59    63    64   3.62500 -1.0 2.0
   49    59    63    71   3.62500 -1.0 2.0
   49    59    65    66   0.84100 -1.0 2.0
   50    49    59    63   3.62500 -1.0 2.0
   50    49    59    65   3.62500 -1.0 2.0
   59    63   -71    43   3.62500 -1.0 2.0
   59    63    71    72   3.62500 -1.0 2.0
   63    59    65    66   0.84100 -1.0 2.0
   63    71    72    73   0.84100 -1.0 2.0
   64    63    71    43   3.62500 -1.0 2.0
   64    63    71    72   3.62500 -1.0 2.0
   71    43   -45    49   3.62500 -1.0 2.0
   71    43    45    51   3.62500 -1.0 2.0
   65    59    63    64   3.62500 -1.0 2.0
   65    59    63    71   3.62500 -1.0 2.0
   51    33    38    39   0.09700  1.0 1.0
   51    33    38    39   0.15600 -1.0 2.0
   51    33    38    39  -0.50800  1.0 3.0
   51    33   -38    40  -0.51250  1.0 1.0
   51    33   -38    40  -0.88800 -1.0 2.0
   51    33   -38    40   0.08850  1.0 3.0
   51    45    49    50   3.62500 -1.0 2.0
   51    45    49    59   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    39    38    40   1.10000 -1.0 2.0
   42    60    39    38   4.00000 -1.0 2.0
   44    69    42    39   4.00000 -1.0 2.0
   46    47    44    42   4.00000 -1.0 2.0
   53    55    46    44   4.00000 -1.0 2.0
   60    54    53    46   1.10000 -1.0 2.0
   53    67    60    39   4.00000 -1.0 2.0
   44    57    47    48  10.50000 -1.0 2.0
   47    58    57    61   1.10000 -1.0 2.0
   69    62    61    57   1.10000 -1.0 2.0
   42    61    69    70  10.50000 -1.0 2.0
   43    41    40    38   1.10000 -1.0 2.0
   45    71    43    40   4.00000 -1.0 2.0
   49    51    45    43   4.00000 -1.0 2.0
   59    50    49    45   1.10000 -1.0 2.0
   63    65    59    49   4.00000 -1.0 2.0
   71    64    63    59   1.10000 -1.0 2.0
   63    72    71    43   4.00000 -1.0 2.0
   33    45    51    52  10.50000 -1.0 2.0
END
