* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    132    200     388
    1     0 S   NP   _N1_     1    28.84486    94.95271   -25.58432
    2     1 S   H    _HN1     2     1.02943    82.69791    -2.01383
    3     1 S   H    _H1_     3     1.02823    24.46215   177.91869
    4     1 S   H    _H2_     4     1.02779   117.06967  -108.95438
    5     1 S   CT   _CA1     5     1.50160   121.22539   107.43992
    6     5 S   HC   _HA1     6     1.09566   105.19098    84.10832
    7     5 S   CO3  _C1_     7     1.53838   112.16159   -36.19771
    8     7 S   O2Z  _O11     8     1.26407   114.97601   -45.57537
    9     7 S   O2Z  _O12     9     1.26201   115.02003   133.16557
   10     5 S   CT   _CB1    10     1.53075   107.37317  -157.80184
   11    10 S   HC   HB11    11     1.09838   109.63301   -47.18667
   12    10 S   HC   HB12    12     1.09805   110.41721    69.50237
   13    10 S   CT   _CG1    13     1.52989   112.48907  -167.96245
   14    13 S   HC   HG11    14     1.09572   110.76640   -63.35404
   15    13 S   HC   HG12    15     1.09653   109.62322    55.81719
   16    13 S   C    _CD1    16     1.51861   112.00104   176.50352
   17    16 S   O    _OE1    17     1.22765   123.14967    12.55908
   18    16 S   N    _N2_    18     1.38488   111.82115  -168.19405
   19    18 S   H    _HN2    19     1.02037   118.95782     3.55985
   20    18 S   CT1  _CA2    20     1.45962   123.67936   178.51338
   21    20 S   HC   _HA2    21     1.09717   109.15561     5.06941
   22    20 S   C    _C2_    22     1.53735   110.33267  -111.00794
   23    22 S   O    _O2_    23     1.23169   121.45246  -160.67065
   24    20 S   CT   _CB2    32     1.53441   111.30766   126.86595
   25    24 S   HC   HB21    33     1.09505   109.94866    56.82217
   26    24 S   HC   HB22    34     1.09515   110.18929   175.75947
   27    22 S   N    _N3_    24     1.38205   114.59404    25.47356
   28    27 S   H    _HN3    25     1.01464   119.01226    -1.74294
   29    24 S   S    _SG2    35     1.82687   111.99998   -64.16805
   30    27 S   CT   _CA3    26     1.45392   123.44067   176.69601
   31    30 S   HC   HA31    27     1.09540   109.03381    28.23631
   32    30 S   HC   HA32    28     1.09501   107.16370   145.06186
   33    29 S   CT   _C18    36     1.81523    99.22069  -173.36324
   34    33 S   Cl   Cl1_    37     1.78217   110.42456   171.04873
   35    33 S   HC   _H5_    38     1.09311   109.71535    53.75695
   36    30 S   CO3  _C3_    29     1.52893   113.19532   -95.21012
   37    36 S   O2Z  _O31    30     1.26412   115.45239   -46.40562
   38    36 S   O2Z  _O32    31     1.26380   115.00691   134.52061
   39    33 S   C    _C17    39     1.51879   110.34160   -70.48618
   40    39 S   O    _O37    40     1.22970   122.74358   -63.16365
   41    39 S   N    _N4_    41     1.38816   112.70115   117.24591
   42    41 S   H    _H16    42     1.01506   118.96198    -0.61102
   43    41 S   CT   _C11    43     1.47323   124.91238   177.74337
   44    43 S   HC   _H4_    44     1.09825   103.31559   178.82148
   45    43 S   CT   _C12    45     1.53755   111.48419    62.98396
   46    45 S   HC   _H10    46     1.09511   111.58369   -61.97655
   47    45 S   HC   _H11    47     1.09536   110.37120   176.78923
   48    43 S   CT   _C10    60     1.54797   111.08498   -64.25671
   49    48 S   HC   _H3_    61     1.09577   109.96473    60.23280
   50    45 S   OS   _O33    48     1.43991   108.81292    58.24818
   51    48 S   CA   _C9_    62     1.51516   113.97024  -176.51749
   52    48 S   OH   _O38    75     1.43374   108.57686   -55.42696
   53    52 S   HO   _H17    76     0.97271   107.84645  -170.87105
   54    50 S   CO4  _C13    49     1.36602   115.45830   175.50721
   55    54 S   O    _O34    50     1.22343   125.66189    -2.97025
   56    51 S   CA   _C4_    63     1.40373   119.97125  -114.54280
   57    56 S   HA   _H6_    64     1.08784   120.34294    -0.07913
   58    54 S   CT   _C14    51     1.51244   109.13249   178.67988
   59    58 S   HC   _H12    52     1.09488   108.86499   -38.14571
   60    58 S   HC   _H13    53     1.09551   107.38904    78.91192
   61    56 S   CA   _C5_    65     1.39639   120.77244   179.62206
   62    61 S   HA   _H7_    66     1.08668   118.79505  -179.58316
   63    58 S   CT   _C15    54     1.52325   112.89497  -160.13669
   64    63 S   HC   _H14    55     1.09735   108.26287  -170.10717
   65    63 S   HC   _H15    56     1.09687   110.17191   -53.31815
   66    61 S   CA   _C6_    67     1.39701   119.26027     0.01978
   67    63 S   CO3  _C16    57     1.53243   116.12902    69.54438
   68    67 S   O2Z  _O36    58     1.26462   114.21780   174.51881
   69    67 S   O2Z  _O35    59     1.26155   116.59061    -5.24740
   70    66 S   CA   _C7_    68     1.39693   120.99298     0.03426
   71    70 S   HA   _H8_    69     1.08664   121.95713   179.60833
   72    66 S   NO2  _N5_    72     1.45854   119.50381  -179.98022
   73    72 S   ON   _O40    73     1.23865   117.69127   -20.47674
   74    72 S   ON   _O39    74     1.23864   117.68970   159.54065
   75    51 S   CA   _C8_    70     1.40453   121.08013    65.12743
   76    75 S   HA   _H9_    71     1.08775   120.24974     0.56302
  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
   7   4   3   2   1   1   7   3  11   4  13   8  10   4   3  11
   5   6  11   3   1   8   4   8   4   8   5   4   8   3   5   4
   3   7   2   1   1   6   3   3   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  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48  
   41    42    43  
   42    43    44    45    46    47    50    48    49    51    52  
   43    44    45    48  
   44    45    46    47    50    54    48    49    51    56    75    52    53  
   45    46    47    50    48    49    51    52  
   46    47    50    54    55    58    48    49    51    52  
   47    50    54    48  
   50    54    48  
   49    51    56    57    61    70    75    76    52    53    50  
   51    56    75    52    53  
   54    55    58    59    60    63  
   56    57    61    62    66    70    71    75    76    52    53  
   53    56    75  
    0  
   55    58    59    60    63    64    65    67  
   58    59    60    63  
   57    61    62    66    70    75    76    72  
   61    62    66    75  
   59    60    63    64    65    67    68    69  
   60    63    64    65    67  
   63    64    65    67  
   62    66    70    71    75    72    73    74  
   66    70    72  
   64    65    67    68    69  
   65    67    68    69  
   67    68    69  
   70    71    75    76    72    73    74  
   68    69  
   69  
    0  
   71    75    76    72    73    74  
   75    76    72  
   73    74    75  
   74  
    0  
   76  
    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   3.5000   0.0660   0.104500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   2.5000   0.0300   0.103000   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   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   42   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   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   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   73   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   74   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   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   245.000  1.781
   33    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   434.000  1.010
   41    43   337.000  1.449
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    54   214.000  1.327
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   317.000  1.522
   67    68   656.000  1.250
   67    69   656.000  1.250
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    52   320.000  1.410
   51    56   469.000  1.400
   51    75   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    70   469.000  1.400
   66    72   400.000  1.460
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   367.000  1.080
   72    73   550.000  1.225
   72    74   550.000  1.225
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  110.65400
   29    33    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    51.00000  107.60000
   39    33    34    75.00000  109.32700
   39    33    35    35.00000  109.50000
   39    41    42    35.00000  119.80000
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  110.72300
   41    43    48    70.00000  110.72300
   43    41    42    38.00000  118.40000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    51    70.00000  112.17500
   43    48    52    50.00000  109.50000
   45    43    44    37.50000  110.70000
   45    50    54    83.00000  116.90000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    54    55    83.00000  123.40000
   50    54    58    81.00000  111.40000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    63    63.00000  111.10000
   58    54    55    80.00000  120.40000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    67    70.00000  109.69300
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    67    68    70.00000  117.00000
   63    67    69    70.00000  117.00000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   69    67    68    80.00000  126.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    51    56    70.00000  120.00000
   48    51    75    70.00000  120.00000
   48    52    53    55.00000  108.50000
   51    48    49    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    61    63.00000  120.00000
   51    75    70    63.00000  120.00000
   51    75    76    35.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    66    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    66    70    63.00000  120.00000
   61    66    72    85.00000  120.00000
   66    61    62    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    75    63.00000  120.00000
   66    72    73    80.00000  117.50000
   66    72    74    80.00000  117.50000
   70    75    76    35.00000  120.00000
   75    51    56    63.00000  120.00000
   75    70    71    35.00000  120.00000
   72    66    70    85.00000  120.00000
   74    72    73    80.00000  125.30000
   52    48    49    35.00000  109.50000
   52    48    51    90.00000  112.51600
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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   0.00000  1.0 1.0
   33    39    41    42   2.45000 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.30150 -1.0 2.0
   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   0.00000  1.0 1.0
   39    41    43    45  -0.43950  1.0 1.0
   39    41    43    45  -0.08100 -1.0 2.0
   39    41    43    45   0.03350  1.0 3.0
   39    41    43    48  -0.43950  1.0 1.0
   39    41    43    48  -0.08100 -1.0 2.0
   39    41    43    48   0.03350  1.0 3.0
   40    39    41    42   2.45000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    47   0.15000  1.0 3.0
   41    43    45    50   1.12100  1.0 1.0
   41    43    45    50  -0.16500 -1.0 2.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    51   0.08550  1.0 1.0
   41    43    48    51   1.07500 -1.0 2.0
   41    43    48    51  -0.10950  1.0 3.0
   41    43    48    52   2.76900  1.0 1.0
   41    43    48    52  -0.24350 -1.0 2.0
   41    43    48    52  -0.78250  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    48   0.00000  1.0 1.0
   43    45    50    54  -0.25900  1.0 1.0
   43    45    50    54  -0.47000 -1.0 2.0
   43    45    50    54   0.11750  1.0 3.0
   43    48    51    56   0.04150 -1.0 2.0
   43    48    51    75   0.04150 -1.0 2.0
   43    48    52    53  -0.11600  1.0 1.0
   43    48    52    53  -0.09450 -1.0 2.0
   43    48    52    53   0.21250  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    51   0.43200  1.0 3.0
   44    43    48    52   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    51  -0.03700  1.0 1.0
   45    43    48    51   0.37200 -1.0 2.0
   45    43    48    51  -0.47300  1.0 3.0
   45    43    48    52   0.86500  1.0 1.0
   45    43    48    52  -0.17500 -1.0 2.0
   45    43    48    52   0.20800  1.0 3.0
   45    50    54    55   3.00000 -1.0 2.0
   45    50    54    58   1.63150  1.0 1.0
   45    50    54    58   2.92000 -1.0 2.0
   46    45    50    54   0.08050  1.0 3.0
   47    45    50    54   0.08050  1.0 3.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    63   0.36750  1.0 3.0
   54    58    63    64  -0.11250  1.0 3.0
   54    58    63    65  -0.11250  1.0 3.0
   54    58    63    67  -0.30950  1.0 1.0
   54    58    63    67   1.11150 -1.0 2.0
   54    58    63    67   0.40350  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    63   0.30150 -1.0 2.0
   58    63    67    68   0.41150 -1.0 2.0
   58    63    67    69   0.41150 -1.0 2.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    67  -0.11250  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    67  -0.11250  1.0 3.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    69   0.00000  1.0 1.0
   65    63    67    68   0.00000  1.0 1.0
   65    63    67    69   0.00000  1.0 1.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.62750  1.0 1.0
   48    43    45    50  -0.30950 -1.0 2.0
   48    43    45    50   0.27300  1.0 3.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    56    61   3.62500 -1.0 2.0
   48    51    75    70   3.62500 -1.0 2.0
   48    51    75    76   3.62500 -1.0 2.0
   49    48    51    56   0.00000  1.0 1.0
   49    48    51    75   0.00000  1.0 1.0
   49    48    52    53   0.19450  1.0 3.0
   51    48    52    53   0.31900  1.0 1.0
   51    48    52    53  -0.11800 -1.0 2.0
   51    48    52    53   0.38750  1.0 3.0
   51    56    61    62   3.62500 -1.0 2.0
   51    56    61    66   3.62500 -1.0 2.0
   56    51    75    70   3.62500 -1.0 2.0
   56    51    75    76   3.62500 -1.0 2.0
   56    61   -66    70   3.62500 -1.0 2.0
   56    61    66    72   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    66   3.62500 -1.0 2.0
   61    66    70    71   3.62500 -1.0 2.0
   61    66    70    75   3.62500 -1.0 2.0
   61    66    72    73   0.69950 -1.0 2.0
   61    66    72    74   0.69950 -1.0 2.0
   62    61    66    70   3.62500 -1.0 2.0
   62    61    66    72   3.62500 -1.0 2.0
   66    70   -75    51   3.62500 -1.0 2.0
   66    70    75    76   3.62500 -1.0 2.0
   70    66    72    73   0.69950 -1.0 2.0
   70    66    72    74   0.69950 -1.0 2.0
   71    70    75    51   3.62500 -1.0 2.0
   71    70    75    76   3.62500 -1.0 2.0
   75    51    56    57   3.62500 -1.0 2.0
   75    51   -56    61   3.62500 -1.0 2.0
   72    66    70    71   3.62500 -1.0 2.0
   72    66    70    75   3.62500 -1.0 2.0
   52    48    51    56   0.14300 -1.0 2.0
   52    48    51    56   0.00300  1.0 3.0
   52    48    51    75   0.14300 -1.0 2.0
   52    48    51    75   0.00300  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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   42    39    41    43   1.00000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   68    63    67    69  10.50000 -1.0 2.0
   56    75    51    48   4.00000 -1.0 2.0
   61    57    56    51   1.10000 -1.0 2.0
   66    62    61    56   1.10000 -1.0 2.0
   70    72    66    61   4.00000 -1.0 2.0
   75    71    70    66   1.10000 -1.0 2.0
   70    76    75    51   1.10000 -1.0 2.0
   73    66    72    74  10.50000 -1.0 2.0
END
