* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    139    205     404
    1     0 S   NP   _N1_     1    28.77232    97.28699   -23.04971
    2     1 S   H    _HN1     2     1.02784   104.57688   -99.10785
    3     1 S   H    _H1_     3     1.02949    67.32779     5.03840
    4     1 S   H    _H2_     4     1.02829    43.31032   160.12364
    5     1 S   CT   _CA1     5     1.50108   141.18428    99.83017
    6     5 S   HC   _HA1     6     1.09572   105.19596    98.81326
    7     5 S   CO3  _C1_     7     1.53794   112.48183   -21.43173
    8     7 S   O2Z  _O11     8     1.26374   115.00618   -42.01780
    9     7 S   O2Z  _O12     9     1.26241   114.95131   137.15060
   10     5 S   CT   _CB1    10     1.53088   107.43274  -143.17625
   11    10 S   HC   HB11    11     1.09831   109.39632   -49.54960
   12    10 S   HC   HB12    12     1.09812   110.44220    67.07601
   13    10 S   CT   _CG1    13     1.52982   112.58309  -170.51560
   14    13 S   HC   HG11    14     1.09580   110.63609   -65.52293
   15    13 S   HC   HG12    15     1.09674   109.76887    53.69060
   16    13 S   C    _CD1    16     1.51808   112.26483   174.17509
   17    16 S   O    _OE1    17     1.22721   123.30463     7.21058
   18    16 S   N    _N2_    18     1.38679   111.60686  -172.91075
   19    18 S   H    _HN2    19     1.01581   118.91950     2.15122
   20    18 S   CT1  _CA2    20     1.46215   123.38071   177.35455
   21    20 S   HC   _HA2    21     1.09730   109.19643     7.03391
   22    20 S   C    _C2_    22     1.53680   110.03321  -108.66532
   23    22 S   O    _O2_    23     1.23107   121.83017  -160.62121
   24    20 S   CT   _CB2    32     1.53398   111.06132   128.89344
   25    24 S   HC   HB21    33     1.09523   109.81224    53.25915
   26    24 S   HC   HB22    34     1.09388   110.51136   172.46636
   27    22 S   N    _N3_    24     1.38112   114.44246    25.76495
   28    27 S   H    _HN3    25     1.01556   119.58681    -2.58808
   29    24 S   S    _SG2    35     1.82833   111.38431   -67.37342
   30    27 S   CT   _CA3    26     1.45268   123.25754   177.79265
   31    30 S   HC   HA31    27     1.09546   107.57531   -63.82852
   32    30 S   HC   HA32    28     1.09556   107.94131    52.62640
   33    29 S   CT   _C17    36     1.81234    99.66370   166.06174
   34    33 S   HC   _H23    37     1.09370   107.66119  -169.68086
   35    33 S   HC   _H24    38     1.09377   109.49255   -51.74032
   36    30 S   CO3  _C3_    29     1.52948   114.02350   174.63009
   37    36 S   O2Z  _O31    30     1.26381   116.05398     1.62160
   38    36 S   O2Z  _O32    31     1.26422   114.41621  -178.33646
   39    33 S   CO4  _C16    39     1.51811   113.22670    70.80413
   40    39 S   O    _O35    40     1.23154   123.41982     2.14448
   41    39 S   CT   _C11    41     1.52299   115.44522  -179.32565
   42    41 S   HC   _H3_    42     1.09546   108.13008    34.91404
   43    41 S   CTQ  _C12    43     1.53221   112.41393   -84.70137
   44    43 S   HC   _H12    44     1.09783   108.64964   178.50041
   45    43 S   HC   _H13    45     1.09721   108.98702    62.70635
   46    41 S   NS   _N4_    59     1.47556   108.17975   153.37417
   47    46 S   H    _H11    60     1.02669   116.95055    47.12810
   48    43 S   CT   _C13    46     1.53444   114.90207   -59.45624
   49    48 S   HC   _H14    47     1.09595   110.00682    59.88319
   50    48 S   HC   _H15    48     1.09597   110.12617   -58.22489
   51    46 S   SY   _S1_    61     1.69638   120.99353  -111.81901
   52    51 S   OY   _O33    62     1.44987   108.92708   -50.57140
   53    51 S   OY   _O34    63     1.44951   108.74654   176.35090
   54    48 S   CT   _C14    49     1.53087   111.15183  -179.24827
   55    54 S   HC   _H16    50     1.09711   109.55688    58.55309
   56    54 S   HC   _H17    51     1.09711   109.55438   -58.57289
   57    51 S   CA   _C8_    64     1.76886   101.98209    63.40950
   58    54 S   CT   _C15    52     1.52175   111.02279   179.97202
   59    58 S   HC   _H18    53     1.09397   112.00903   -61.85200
   60    58 S   HC   _H19    54     1.09397   112.00690    61.88275
   61    57 S   CA   _C7_    65     1.39446   118.88458    75.86796
   62    61 S   HA   _H8_    66     1.08634   121.28986    -1.55243
   63    58 S   NP   _N5_    55     1.48265   109.13742  -180.00000
   64    63 S   H    _H20    56     1.02878   111.67045   -60.29341
   65    63 S   H    _H21    57     1.02866   111.06658   180.00000
   66    63 S   H    _H22    58     1.02879   111.67256    60.27650
   67    61 S   CA   _C6_    67     1.39514   119.39918   178.82264
   68    67 S   HA   _H7_    68     1.08745   119.10700   179.44822
   69    67 S   CA   _C5_    69     1.40088   120.55422    -0.42796
   70    69 S   CA   _C10    70     1.40140   119.19854     0.62464
   71    70 S   HA   _H10    71     1.08751   120.16407   179.36573
   72    69 S   CT   _C4_    74     1.49948   120.74631   178.54842
   73    72 S   HC   _H4_    75     1.09495   110.46047   136.28312
   74    72 S   HC   _H5_    76     1.09437   110.02875  -103.24226
   75    72 S   HC   _H6_    77     1.09495   111.35891    17.05279
   76    57 S   CA   _C9_    72     1.39383   120.18656  -105.73362
   77    76 S   HA   _H9_    73     1.08583   121.62348     1.34988
  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   6   5   4   3
   8   4   3   2   1   1  10   4  14   7  12   6   5   8   4   9
   5   4   9   4   3   9   5   4   9   6   5   4   8   4   3   2
   1   1   9   3   8   7   3   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    46    47    51  
   41    42    43    46  
   42    43    44    45    48    49    50    54    46    47    51    52    53    57  
   43    44    45    48    46    47    51  
   44    45    48    49    50    54    55    56    58    46    47    51  
   45    48    49    50    54    46  
   48    49    50    54    46  
   47    51    52    53    57    61    76    48  
   51    52    53    57  
   49    50    54    55    56    58    59    60    63  
   50    54    55    56    58  
   54    55    56    58  
   52    53    57    61    62    67    70    76    77  
   53    57    61    76  
   57    61    76  
   55    56    58    59    60    63    64    65    66  
   56    58    59    60    63  
   58    59    60    63  
   61    62    67    68    69    70    71    76    77  
   59    60    63    64    65    66  
   60    63    64    65    66  
   63    64    65    66  
   62    67    68    69    70    76    77    72  
   67    68    69    76  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    76    72    73    74    75  
   69    70    72  
   70    71    76    77    72    73    74    75  
   71    76    77    72    73    74    75  
   76    77    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5000   0.0660   0.132100   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.083300   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.652700   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   52   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   64   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   317.000  1.522
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   300.000  1.458
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   367.000  1.471
   63    64   434.000  1.010
   63    65   434.000  1.010
   63    66   434.000  1.010
   46    47   500.000  1.020
   46    51   245.000  1.722
   51    52   735.000  1.471
   51    53   735.000  1.471
   51    57   225.000  1.779
   57    61   469.000  1.400
   57    76   469.000  1.400
   61    62   367.000  1.080
   61    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   469.000  1.400
   69    72   317.000  1.510
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   367.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  110.18000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    63.00000  111.10000
   39    41    46    75.00000  113.29000
   41    39    40    80.00000  120.40000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    45.00000  110.67700
   41    46    51    75.00000  117.08200
   43    41    42    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    63    80.00000  111.20000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   65    63    64    35.00000  109.50000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   46    41    42    50.00000  109.35000
   46    41    43    80.00000  110.21000
   46    51    52   115.00000  107.22500
   46    51    53   115.00000  107.22500
   46    51    57    95.00000  101.59200
   51    46    47    50.00000  110.93800
   51    57    61    65.00000  117.06700
   51    57    76    65.00000  117.06700
   53    51    52   115.00000  120.17200
   57    51    52   100.00000  107.67100
   57    51    53   100.00000  107.67100
   57    61    62    35.00000  120.00000
   57    61    67    63.00000  120.00000
   57    76    70    63.00000  120.00000
   57    76    77    35.00000  120.00000
   61    67    68    35.00000  120.00000
   61    67    69    63.00000  120.00000
   67    61    62    35.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    72    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    76    63.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   70    76    77    35.00000  120.00000
   76    57    61    63.00000  120.00000
   76    70    71    35.00000  120.00000
   72    69    70    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.65300  1.0 1.0
   29    33    39    41  -0.03850 -1.0 2.0
   29    33    39    41   0.33900  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    43   0.60050  1.0 1.0
   33    39    41    43   0.05600 -1.0 2.0
   33    39    41    43   0.26150  1.0 3.0
   33    39    41    46  -0.05600  1.0 1.0
   33    39    41    46   0.24350 -1.0 2.0
   33    39    41    46   1.01150  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44  -0.11250  1.0 3.0
   39    41    43    45  -0.11250  1.0 3.0
   39    41    43    48  -0.95700  1.0 1.0
   39    41    43    48  -0.18200 -1.0 2.0
   39    41    43    48   0.29450  1.0 3.0
   39    41    46    47   0.21900  1.0 1.0
   39    41    46    47  -0.24900 -1.0 2.0
   39    41    46    47   0.15200  1.0 3.0
   39    41    46    51   0.23200  1.0 1.0
   39    41    46    51   0.02100 -1.0 2.0
   39    41    46    51   0.24950  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.30150 -1.0 2.0
   40    39    41    46   0.30150 -1.0 2.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    54   0.56750  1.0 1.0
   41    43    48    54  -0.07550 -1.0 2.0
   41    43    48    54   0.20000  1.0 3.0
   41    46    51    52  -0.30400  1.0 1.0
   41    46    51    52   0.50450 -1.0 2.0
   41    46    51    52   0.65550  1.0 3.0
   41    46    51    53  -0.30400  1.0 1.0
   41    46    51    53   0.50450 -1.0 2.0
   41    46    51    53   0.65550  1.0 3.0
   41    46    51    57  -0.64500  1.0 1.0
   41    46    51    57  -1.19050 -1.0 2.0
   41    46    51    57  -0.04400  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.07700  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   43    41    46    47  -0.34300  1.0 1.0
   43    41    46    47  -0.06000 -1.0 2.0
   43    41    46    51  -0.71500  1.0 1.0
   43    41    46    51  -0.42400 -1.0 2.0
   43    41    46    51   0.18500  1.0 3.0
   43    48    54    55   0.15000  1.0 3.0
   43    48    54    56   0.15000  1.0 3.0
   43    48    54    58   0.65000  1.0 1.0
   43    48    54    58  -0.02500 -1.0 2.0
   43    48    54    58   0.10000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    54   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    54   0.15000  1.0 3.0
   48    54    58    59   0.15000  1.0 3.0
   48    54    58    60   0.15000  1.0 3.0
   48    54    58    63   1.36600  1.0 1.0
   48    54    58    63  -0.11450 -1.0 2.0
   48    54    58    63   0.24250  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    58   0.15000  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    58   0.15000  1.0 3.0
   54    58    63    64   0.17350  1.0 3.0
   54    58    63    65   0.17350  1.0 3.0
   54    58    63    66   0.17350  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    63   0.19200  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    63   0.19200  1.0 3.0
   59    58    63    64   0.13050  1.0 3.0
   59    58    63    65   0.13050  1.0 3.0
   59    58    63    66   0.13050  1.0 3.0
   60    58    63    64   0.13050  1.0 3.0
   60    58    63    65   0.13050  1.0 3.0
   60    58    63    66   0.13050  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    48   1.18100  1.0 1.0
   46    41    43    48  -0.23750 -1.0 2.0
   46    41    43    48   0.34300  1.0 3.0
   46    51    57    61  -0.49050  1.0 1.0
   46    51    57    61   0.22250 -1.0 2.0
   46    51    57    61  -0.39350  1.0 3.0
   46    51    57    76  -0.49050  1.0 1.0
   46    51    57    76   0.22250 -1.0 2.0
   46    51    57    76  -0.39350  1.0 3.0
   47    46    51    52   1.12100  1.0 1.0
   47    46    51    52   0.54800 -1.0 2.0
   47    46    51    52  -0.29400  1.0 3.0
   47    46    51    53   1.12100  1.0 1.0
   47    46    51    53   0.54800 -1.0 2.0
   47    46    51    53  -0.29400  1.0 3.0
   47    46    51    57   1.01100  1.0 1.0
   47    46    51    57  -0.22250 -1.0 2.0
   47    46    51    57   1.33750  1.0 3.0
   51    57    61    62   3.62500 -1.0 2.0
   51    57    61    67   3.62500 -1.0 2.0
   51    57    76    70   3.62500 -1.0 2.0
   51    57    76    77   3.62500 -1.0 2.0
   52    51    57    61   0.19500  1.0 1.0
   52    51    57    61   0.12000 -1.0 2.0
   52    51    57    76   0.19500  1.0 1.0
   52    51    57    76   0.12000 -1.0 2.0
   53    51    57    61   0.19500  1.0 1.0
   53    51    57    61   0.12000 -1.0 2.0
   53    51    57    76   0.19500  1.0 1.0
   53    51    57    76   0.12000 -1.0 2.0
   57    61    67    68   3.62500 -1.0 2.0
   57    61    67    69   3.62500 -1.0 2.0
   61    57    76    70   3.62500 -1.0 2.0
   61    57    76    77   3.62500 -1.0 2.0
   61    67   -69    70   3.62500 -1.0 2.0
   61    67    69    72   3.62500 -1.0 2.0
   62    61    67    68   3.62500 -1.0 2.0
   62    61    67    69   3.62500 -1.0 2.0
   67    69    70    71   3.62500 -1.0 2.0
   67    69    70    76   3.62500 -1.0 2.0
   67    69    72    73   0.00000  1.0 1.0
   67    69    72    74   0.00000  1.0 1.0
   67    69    72    75   0.00000  1.0 1.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    72   3.62500 -1.0 2.0
   69    70   -76    57   3.62500 -1.0 2.0
   69    70    76    77   3.62500 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   70    69    72    75   0.00000  1.0 1.0
   71    70    76    57   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   76    57    61    62   3.62500 -1.0 2.0
   76    57   -61    67   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    76   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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   47    51    46    41   1.00000 -1.0 2.0
   61    76    57    51   4.00000 -1.0 2.0
   67    62    61    57   1.10000 -1.0 2.0
   69    68    67    61   1.10000 -1.0 2.0
   70    72    69    67   4.00000 -1.0 2.0
   76    71    70    69   1.10000 -1.0 2.0
   70    77    76    57   1.10000 -1.0 2.0
END
