* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    138    203     394
    1     0 S   NP   _N1_     1    29.85851    94.88309   -25.54554
    2     1 S   H    _HN1     2     1.02818    37.44938  -157.13881
    3     1 S   H    _H1_     3     1.02820   122.46298   -80.49180
    4     1 S   H    _H2_     4     1.02945    69.74462    18.80524
    5     1 S   CT   _CA1     5     1.50122   122.37146   120.70782
    6     5 S   HC   _HA1     6     1.09567   105.20029    99.01602
    7     5 S   CO3  _C1_     7     1.53748   112.62592   -21.35702
    8     7 S   O2Z  _O11     8     1.26374   115.02050   -41.18840
    9     7 S   O2Z  _O12     9     1.26242   114.94895   138.01549
   10     5 S   CT   _CB1    10     1.52983   107.34077  -142.95462
   11    10 S   HC   HB11    11     1.09858   109.30666   -49.33823
   12    10 S   HC   HB12    12     1.09823   110.42939    67.14682
   13    10 S   CT   _CG1    13     1.53091   112.78557  -170.29230
   14    13 S   HC   HG11    14     1.09543   110.90142   -68.11357
   15    13 S   HC   HG12    15     1.09650   109.74163    51.37378
   16    13 S   C    _CD1    16     1.51657   111.38498   171.88149
   17    16 S   O    _OE1    17     1.22769   122.77579    17.54018
   18    16 S   N    _N2_    18     1.38571   112.24961  -162.88243
   19    18 S   H    _HN2    19     1.01566   119.29449    -1.76336
   20    18 S   CT1  _CA2    20     1.46030   122.72652   173.67628
   21    20 S   HC   _HA2    21     1.09158   108.38640    -9.62169
   22    20 S   C    _C2_    22     1.53299   107.83678  -123.19226
   23    22 S   O    _O2_    23     1.22956   122.81143  -140.52709
   24    20 S   CT   _CB2    32     1.53158   112.69945   113.23262
   25    24 S   HC   HB21    33     1.09664   109.34618    58.11804
   26    24 S   HC   HB22    34     1.09470   111.19553   174.96110
   27    22 S   N    _N3_    24     1.38487   112.92603    46.62918
   28    27 S   H    _HN3    25     1.01633   119.48267    -3.64024
   29    24 S   S    _SG2    35     1.83124   114.89718   -61.33759
   30    27 S   CT   _CA3    26     1.45214   123.13245   176.27217
   31    30 S   HC   HA31    27     1.09564   107.68912   -57.87333
   32    30 S   HC   HA32    28     1.09541   107.79751    58.51595
   33    29 S   CT   _C5_    36     1.83854   101.43336   -65.57522
   34    33 S   HC   _H3_    37     1.09114   107.54822    50.42066
   35    30 S   CO3  _C3_    29     1.52923   114.02831  -179.85735
   36    35 S   O2Z  _O31    30     1.26376   116.06494    -7.81316
   37    35 S   O2Z  _O32    31     1.26419   114.44919   172.23484
   38    33 S   CM   _C6_    38     1.53375   111.67441   -72.05806
   39    33 S   CT   _C4_    74     1.53292   108.35379   162.96681
   40    39 S   HC   _H6_    75     1.09577   112.73984    57.83816
   41    39 S   HC   _H7_    76     1.09654   110.83049   -62.92096
   42    39 S   HC   _H8_    77     1.09614   110.50512   178.51681
   43    38 S   CMA  _C7_    39     1.36850   122.90484   107.74815
   44    43 S   OM   _O33    40     1.26848   125.61599   177.41192
   45    38 S   CT   _C21    70     1.52033   115.26411   -74.20295
   46    45 S   HC   _H20    71     1.09468   110.34282   -69.62090
   47    45 S   HC   _H21    72     1.09429   113.40549   170.09730
   48    45 S   HC   _H22    73     1.09446   110.83178    50.66136
   49    43 S   OS   _O34    41     1.41221   111.54340    -5.13003
   50    49 S   CT   _C8_    42     1.42977   116.66014   141.19551
   51    50 S   HC   _H4_    43     1.09686   112.43994   -32.08337
   52    50 S   CA   _C9_    44     1.48753   106.37412  -154.03095
   53    50 S   CT   _C15    54     1.54982   111.10806    98.17183
   54    53 S   HC   _H5_    55     1.09834   109.64310   -11.23565
   55    52 S   CA   _C10    45     1.38752   128.76289    67.08671
   56    55 S   HA   _H9_    46     1.08461   119.13415     2.26079
   57    53 S   CM   _C16    56     1.52004   113.72875  -134.02656
   58    55 S   CA   _C11    47     1.40147   118.51786  -175.69129
   59    57 S   CM   _C17    57     1.34303   121.03371   113.42866
   60    59 S   HC   _H12    58     1.08488   121.53669   179.97202
   61    59 S   HC   _H13    59     1.08536   121.37331    -0.42104
   62    57 S   CT   _C18    60     1.50364   118.11306   -66.75533
   63    62 S   HC   _H14    61     1.09446   110.64434   -61.51625
   64    62 S   HC   _H15    62     1.09419   110.79008    59.05135
   65    62 S   HC   _H16    63     1.09547   111.95694   178.79894
   66    58 S   CA   _C12    48     1.40989   119.93463    -0.41496
   67    66 S   HA   _H10    49     1.08758   120.85745   179.48414
   68    58 S   CO4  _C19    64     1.49101   121.44235   178.31704
   69    68 S   O    _O36    65     1.22917   120.11758  -171.84077
   70    66 S   CA   _C13    50     1.39716   120.70318    -0.10279
   71    70 S   HA   _H11    51     1.08461   120.67637   179.60534
   72    68 S   CT   _C20    66     1.50723   118.99899     7.89901
   73    72 S   HC   _H17    67     1.09317   110.45652    54.56511
   74    72 S   HC   _H18    68     1.09270   110.30860   -68.42331
   75    72 S   HC   _H19    69     1.09460   109.09903   172.75042
   76    52 S   CA   _C14    52     1.38182   110.21980  -109.42683
   77    76 S   OS   _O35    53     1.36750   114.09423    -2.43679
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  13   7  12  13   5  10   4   9  11   7   2   1   4   2   1
   1   8   4   6   4   3   2   3   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    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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    53    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    55    76    77    53    54    57  
   51    52    55    56    58    70    76    77    53    54    57    59    62  
   52    55    76    77    53    54    57  
   55    56    58    66    70    71    76    77    53    54    57    68  
   54    57    59    60    61    62    63    64    65    55    70    76    77  
   57    59    62    76    77  
   56    58    66    67    70    76    77    68    69    72  
   58    66    76    68  
   59    60    61    62    63    64    65    76    77  
   66    67    70    71    76    68    69    72    73    74    75  
   60    61    62    63    64    65    77  
   61    62  
   62  
   63    64    65    77  
   64    65  
   65  
    0  
   67    70    71    76    77    68    69    72  
   70    71    76    68  
   69    72    73    74    75    70  
   72    73    74    75  
   71    76    77  
   76    77  
   73    74    75  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   469.000  1.400
   52    76   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    66   469.000  1.400
   58    68   310.000  1.470
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   450.000  1.364
   77    53   320.000  1.410
   53    54   340.000  1.090
   53    57   317.000  1.510
   57    59   549.000  1.340
   57    62   317.000  1.510
   59    60   340.000  1.080
   59    61   340.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   68    69   570.000  1.229
   68    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  111.85700
   49    50    53    50.00000  109.50000
   50    52    55    70.00000  120.00000
   50    52    76    70.00000  120.00000
   50    53    77    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    57    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    55    56    35.00000  120.00000
   52    55    58    63.00000  120.00000
   52    76    70    63.00000  120.00000
   52    76    77    70.00000  120.00000
   55    58    66    63.00000  120.00000
   55    58    68    60.00000  119.52600
   58    55    56    35.00000  120.00000
   58    66    67    35.00000  120.00000
   58    66    70    63.00000  120.00000
   58    68    69    75.00000  123.78400
   58    68    72    65.00000  115.47100
   66    70    71    35.00000  120.00000
   66    70    76    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    76    77    70.00000  120.00000
   76    52    55    63.00000  120.00000
   76    70    71    35.00000  120.00000
   76    77    53    75.00000  111.00000
   77    53    54    35.00000  109.50000
   77    53    57    85.00000  110.90400
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.17500
   53    57    59    70.00000  124.00000
   53    57    62    65.00000  117.92700
   57    53    54    35.00000  109.50000
   57    59    60    35.00000  120.00000
   57    59    61    35.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   61    59    60    35.00000  117.00000
   62    57    59    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   68    58    66    60.00000  119.52600
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   72    68    69    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    53  -0.46850  1.0 1.0
   43    49    50    53   0.09300 -1.0 2.0
   43    49    50    53  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    55   0.64500  1.0 1.0
   49    50    52    55   0.14800 -1.0 2.0
   49    50    52    55   0.20650  1.0 3.0
   49    50    52    76   0.64500  1.0 1.0
   49    50    52    76   0.14800 -1.0 2.0
   49    50    52    76   0.20650  1.0 3.0
   49    50    53    77   1.11900  1.0 1.0
   49    50    53    77  -1.16350 -1.0 2.0
   49    50    53    77  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    57   0.61850  1.0 1.0
   49    50    53    57  -0.22750 -1.0 2.0
   49    50    53    57   0.15300  1.0 3.0
   50    52    55    56   3.62500 -1.0 2.0
   50    52    55    58   3.62500 -1.0 2.0
   50    52    76    70   3.62500 -1.0 2.0
   50    52   -76    77   3.62500 -1.0 2.0
   50    53    57    59   0.09850  1.0 1.0
   50    53    57    59   0.15250 -1.0 2.0
   50    53    57    59  -0.50650  1.0 3.0
   50    53    57    62   0.46850  1.0 1.0
   50    53    57    62   0.08550 -1.0 2.0
   50    53    57    62   0.09800  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    52    76   0.00000  1.0 1.0
   51    50    53    77   0.23400  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50   -53    77  -0.64350  1.0 1.0
   52    50   -53    77  -0.04200 -1.0 2.0
   52    50   -53    77   0.19800  1.0 3.0
   52    50    53    54   0.43200  1.0 3.0
   52    50    53    57   0.21200  1.0 1.0
   52    50    53    57   0.16900 -1.0 2.0
   52    50    53    57  -1.15100  1.0 3.0
   52    55    58    66   3.62500 -1.0 2.0
   52    55    58    68   3.62500 -1.0 2.0
   52    76   -77    53   1.63200 -1.0 2.0
   55    52    76    70   3.62500 -1.0 2.0
   55    52    76    77   3.62500 -1.0 2.0
   55    58    66    67   3.62500 -1.0 2.0
   55    58   -66    70   3.62500 -1.0 2.0
   55    58    68    69   1.05000 -1.0 2.0
   55    58    68    72   2.26350  1.0 1.0
   55    58    68    72   0.76750 -1.0 2.0
   55    58    68    72   0.22500  1.0 3.0
   56    55    58    66   3.62500 -1.0 2.0
   56    55    58    68   3.62500 -1.0 2.0
   58    66    70    71   3.62500 -1.0 2.0
   58    66    70    76   3.62500 -1.0 2.0
   58    68    72    73   0.00000  1.0 1.0
   58    68    72    74   0.00000  1.0 1.0
   58    68    72    75   0.00000  1.0 1.0
   66    58    68    69   1.05000 -1.0 2.0
   66    58    68    72   2.26350  1.0 1.0
   66    58    68    72   0.76750 -1.0 2.0
   66    58    68    72   0.22500  1.0 3.0
   66    70   -76    52   3.62500 -1.0 2.0
   66    70    76    77   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    76   3.62500 -1.0 2.0
   70    76    77    53   1.63200 -1.0 2.0
   71    70    76    52   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   76    52    55    56   3.62500 -1.0 2.0
   76    52   -55    58   3.62500 -1.0 2.0
   76    77   -53    50  -0.32850  1.0 1.0
   76    77   -53    50  -0.35800 -1.0 2.0
   76    77   -53    50   0.33950  1.0 3.0
   76    77    53    54   0.08050  1.0 3.0
   76    77    53    57  -0.25600  1.0 1.0
   76    77    53    57  -0.40050 -1.0 2.0
   76    77    53    57   0.34700  1.0 3.0
   77    53    57    59   0.39000  1.0 1.0
   77    53    57    59  -0.05800 -1.0 2.0
   77    53    57    59  -0.55150  1.0 3.0
   77    53    57    62   0.09700  1.0 1.0
   77    53    57    62   0.15600 -1.0 2.0
   77    53    57    62  -0.50800  1.0 3.0
   53    50    52    55   0.04150 -1.0 2.0
   53    50   -52    76   0.04150 -1.0 2.0
   53    57    59    60   7.00000 -1.0 2.0
   53    57    59    61   7.00000 -1.0 2.0
   53    57    62    63   0.34800  1.0 3.0
   53    57    62    64   0.34800  1.0 3.0
   53    57    62    65   0.34800  1.0 3.0
   54    53    57    59   0.00000  1.0 1.0
   54    53    57    62   0.34800  1.0 3.0
   59    57    62    63   0.00000  1.0 1.0
   59    57    62    64   0.00000  1.0 1.0
   59    57    62    65   0.00000  1.0 1.0
   62    57    59    60   7.00000 -1.0 2.0
   62    57    59    61   7.00000 -1.0 2.0
   68    58    66    67   3.62500 -1.0 2.0
   68    58    66    70   3.62500 -1.0 2.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   69    68    72    75   0.00000  1.0 1.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   55    76    52    50   4.00000 -1.0 2.0
   58    56    55    52   1.10000 -1.0 2.0
   66    68    58    55   4.00000 -1.0 2.0
   70    67    66    58   1.10000 -1.0 2.0
   76    71    70    66   1.10000 -1.0 2.0
   70    77    76    52   4.00000 -1.0 2.0
   53    62    57    59  15.00000 -1.0 2.0
   60    61    59    57  15.00000 -1.0 2.0
   58    72    68    69  10.50000 -1.0 2.0
END
