* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    111    168     331
    1     0 S   NP   _N1_     1    30.92970    99.76606   -21.68714
    2     1 S   H    _HN1     2     1.02735    67.65044  -101.84923
    3     1 S   H    _H1_     3     1.02841    63.93838   133.72822
    4     1 S   H    _H2_     4     1.03485   166.73285  -172.92321
    5     1 S   CT   _CA1     5     1.50621    81.06869    15.98663
    6     5 S   HC   _HA1     6     1.09549   104.24435   118.66610
    7     5 S   CO3  _C1_     7     1.54353   111.83135     3.02032
    8     7 S   O2Z  _O11     8     1.26083   116.64778  -135.92185
    9     7 S   O2Z  _O12     9     1.26635   114.06941    43.61482
   10     5 S   CT   _CB1    10     1.53115   106.72200  -124.93607
   11    10 S   HC   HB11    11     1.09589   109.46660   -36.89133
   12    10 S   HC   HB12    12     1.09798   110.18873    78.52263
   13    10 S   CT   _CG1    13     1.53311   113.12072  -159.42165
   14    13 S   HC   HG11    14     1.09526   110.95424   -94.91454
   15    13 S   HC   HG12    15     1.09611   111.66896    24.55149
   16    13 S   C    _CD1    16     1.51546   109.84483   144.88637
   17    16 S   O    _OE1    17     1.22778   122.17453    98.75170
   18    16 S   N    _N2_    18     1.38407   112.31773   -78.95319
   19    18 S   H    _HN2    19     1.02007   118.78655    -2.29797
   20    18 S   CT1  _CA2    20     1.45899   123.42782   173.03987
   21    20 S   HC   _HA2    21     1.09676   108.79784    28.49873
   22    20 S   C    _C2_    22     1.53211   108.61897   -88.25911
   23    22 S   O    _O2_    23     1.23127   121.04369   151.63347
   24    20 S   CT   _CB2    32     1.53345   111.77981   151.93609
   25    24 S   HC   HB21    33     1.09177   109.48217    60.76440
   26    24 S   HC   HB22    34     1.09540   109.92448   178.56441
   27    22 S   N    _N3_    24     1.38430   114.48838   -35.97914
   28    27 S   H    _HN3    25     1.01664   119.48872     2.10896
   29    24 S   S    _SG2    35     1.82706   110.90161   -61.80009
   30    27 S   CT   _CA3    26     1.45289   123.13724  -177.44925
   31    30 S   HC   HA31    27     1.09562   108.25138   -44.53888
   32    30 S   HC   HA32    28     1.09550   107.16863    71.80042
   33    29 S   CT   _C9_    36     1.87265   102.58998   154.95502
   34    30 S   CO3  _C3_    29     1.53019   114.53657  -166.79148
   35    34 S   O2Z  _O31    30     1.26392   116.41542     2.62682
   36    34 S   O2Z  _O32    31     1.26457   114.35065  -177.64075
   37    33 S   CT   _C4_    37     1.54040   110.95891    56.39951
   38    37 S   HC   _H6_    38     1.09538   111.82145   -56.60711
   39    37 S   HC   _H7_    39     1.09719   110.83226  -174.73039
   40    33 S   CT   _C10    54     1.54924   109.84102   -64.22212
   41    40 S   HC   _H8_    55     1.09604   110.58046  -176.00252
   42    40 S   HC   _H9_    56     1.09360   111.72267    66.84229
   43    37 S   CO4  _C5_    40     1.51412   112.09348    66.04084
   44    43 S   O    _O33    41     1.23087   121.08979  -131.88728
   45    40 S   OS   _O34    57     1.42350   111.16487   -57.10669
   46    43 S   CT   _C6_    42     1.52074   116.56100    52.55424
   47    46 S   HC   _H3_    43     1.09520   108.94390    73.25522
   48    45 S   P2   _P1_    58     1.63157   119.29493   143.86279
   49    48 S   O2Z  _O37    59     1.51084   108.46975   176.65701
   50    48 S   O2Z  _O35    60     1.51228   110.01325   -49.55949
   51    46 S   CT   _C7_    44     1.52856   110.78663   -49.69539
   52    51 S   HC   _H4_    45     1.09610   109.31368   -74.96029
   53    46 S   OH   _O40    52     1.42139   109.28363  -169.65601
   54    53 S   HO   _H13    53     0.97295   107.42337   -58.38639
   55    48 S   OS   _O36    61     1.63000    99.26408    64.40454
   56    55 S   HO   _H10    62     0.97902   116.04540    82.61497
   57    33 S   CT   _C8_    46     1.56037   106.88214   175.88172
   58    57 S   HC   _H5_    47     1.09723   110.46449    54.93029
   59    51 S   OH   _O39    50     1.43141   108.35772   169.79803
   60    59 S   HO   _H12    51     0.97257   107.52613  -178.11467
   61    57 S   OH   _O38    48     1.43547   110.10617   169.99669
   62    61 S   HO   _H11    49     0.97051   109.31715    72.27833
  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  13   5   4   3
  18   2   1   1  15   6   5  12   4   3   9   4   6  10   6   4
   3   2   9   6   3   1   1   1   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    57    58    61    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    46    51    52    57    58    61    62    59    40    41    42    45    48  
   35    36  
   36  
    0  
   38    39    43    44    46    47    51    57    58    61    53    40    41    42    45  
   39    43    44    46    57    40  
   43    44    46    57    40  
   41    42    45    48    49    50    55    43    51    57    58    61  
   42    45    48    57  
   45    48    57  
   44    46    47    51    52    57    59    53    54  
   46    47    51    53  
   48    49    50    55    56    57  
   47    51    52    57    58    61    59    60    53    54  
   51    52    57    59    53    54  
   49    50    55    56  
   50    55    56  
   55    56  
   52    57    58    61    62    59    60    53    54  
   57    58    61    59    60    53  
   54    57    59  
    0  
   56  
    0  
   58    61    62    59    60  
   61    62    59  
   60    61  
    0  
   62  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    57   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    53   320.000  1.410
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   320.000  1.410
   57    58   340.000  1.090
   57    61   320.000  1.410
   61    62   553.000  0.945
   59    60   553.000  0.945
   53    54   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   320.000  1.410
   45    48   230.000  1.697
   48    49   525.000  1.480
   48    50   525.000  1.480
   48    55   230.000  1.697
   55    56   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    57    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    57    51    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    50.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    51    63.00000  111.10000
   43    46    53    90.00000  109.61100
   46    43    44    80.00000  120.40000
   46    51    52    37.50000  110.70000
   46    51    57    58.35000  112.70000
   46    51    59    50.00000  109.50000
   46    53    54    55.00000  108.50000
   51    46    47    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    61    50.00000  109.50000
   51    59    60    55.00000  108.50000
   57    33    37    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    61    62    55.00000  108.50000
   61    57    58    35.00000  109.50000
   59    51    52    35.00000  109.50000
   59    51    57    50.00000  109.50000
   53    46    47    35.00000  109.50000
   53    46    51    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    57    58.35000  112.70000
   40    45    48   100.00000  120.50000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49   100.00000  108.23000
   45    48    50   100.00000  108.23000
   45    48    55    45.00000  102.60000
   48    55    56    45.00000  108.50000
   50    48    49   140.00000  119.90000
   55    48    49   100.00000  108.23000
   55    48    50   100.00000  108.23000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    57    51   0.44750  1.0 1.0
   29    33    57    51  -0.17800 -1.0 2.0
   29    33    57    51   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.56750  1.0 1.0
   29    33    57    61  -0.07550 -1.0 2.0
   29    33    57    61   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    46   0.60050  1.0 1.0
   33    37    43    46   0.05600 -1.0 2.0
   33    37    43    46   0.26150  1.0 3.0
   33    57    61    62  -0.11600  1.0 1.0
   33    57    61    62  -0.09450 -1.0 2.0
   33    57    61    62   0.21250  1.0 3.0
   33    40    45    48  -2.65550  1.0 1.0
   33    40    45    48  -0.22350 -1.0 2.0
   33    40    45    48   0.24150  1.0 3.0
   37    33    57    51   0.56750  1.0 1.0
   37    33    57    51  -0.07550 -1.0 2.0
   37    33    57    51   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61   0.86500  1.0 1.0
   37    33    57    61  -0.17500 -1.0 2.0
   37    33    57    61   0.20800  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.62750  1.0 1.0
   37    33    40    45  -0.30950 -1.0 2.0
   37    33    40    45   0.27300  1.0 3.0
   37    43    46    47   0.00000  1.0 1.0
   37    43   -46    51   0.60050  1.0 1.0
   37    43   -46    51   0.05600 -1.0 2.0
   37    43   -46    51   0.26150  1.0 3.0
   37    43    46    53   0.55300  1.0 1.0
   37    43    46    53   1.25850 -1.0 2.0
   37    43    46    53  -0.23600  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    46   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    46   0.00000  1.0 1.0
   43    46    51    52  -0.11250  1.0 3.0
   43    46    51    57  -0.95700  1.0 1.0
   43    46    51    57  -0.18200 -1.0 2.0
   43    46    51    57   0.29450  1.0 3.0
   43    46    51    59  -0.09450  1.0 1.0
   43    46    51    59  -1.12950 -1.0 2.0
   43    46    51    59   0.54000  1.0 3.0
   43    46    53    54   0.91850  1.0 1.0
   43    46    53    54   0.57950  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    51   0.30150 -1.0 2.0
   44    43    46    53   0.30150 -1.0 2.0
   46    51   -57    33   0.56750  1.0 1.0
   46    51   -57    33  -0.07550 -1.0 2.0
   46    51   -57    33   0.20000  1.0 3.0
   46    51    57    58   0.15000  1.0 3.0
   46    51    57    61   0.86500  1.0 1.0
   46    51    57    61  -0.17500 -1.0 2.0
   46    51    57    61   0.20800  1.0 3.0
   46    51    59    60  -0.11600  1.0 1.0
   46    51    59    60  -0.09450 -1.0 2.0
   46    51    59    60   0.21250  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57   0.15000  1.0 3.0
   47    46    51    59   0.23400  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   51    46    53    54  -0.11600  1.0 1.0
   51    46    53    54  -0.09450 -1.0 2.0
   51    46    53    54   0.21250  1.0 3.0
   51    57    61    62  -0.11600  1.0 1.0
   51    57    61    62  -0.09450 -1.0 2.0
   51    57    61    62   0.21250  1.0 3.0
   52    51    57    33   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    61   0.23400  1.0 3.0
   52    51    59    60   0.19450  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33   -37    43  -0.95700  1.0 1.0
   57    33   -37    43  -0.18200 -1.0 2.0
   57    33   -37    43   0.29450  1.0 3.0
   57    33    40    41   0.15000  1.0 3.0
   57    33    40    42   0.15000  1.0 3.0
   57    33    40    45   0.62750  1.0 1.0
   57    33    40    45  -0.30950 -1.0 2.0
   57    33    40    45   0.27300  1.0 3.0
   57    51    59    60  -0.11600  1.0 1.0
   57    51    59    60  -0.09450 -1.0 2.0
   57    51    59    60   0.21250  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   59    51    57    33   0.86500  1.0 1.0
   59    51    57    33  -0.17500 -1.0 2.0
   59    51    57    33   0.20800  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    61   3.75450  1.0 1.0
   53    46    51    52   0.23400  1.0 3.0
   53    46    51    57   0.86500  1.0 1.0
   53    46    51    57  -0.17500 -1.0 2.0
   53    46    51    57   0.20800  1.0 3.0
   53    46    51    59   3.75450  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    57    51   0.56750  1.0 1.0
   40    33    57    51  -0.07550 -1.0 2.0
   40    33    57    51   0.20000  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    61   0.86500  1.0 1.0
   40    33    57    61  -0.17500 -1.0 2.0
   40    33    57    61   0.20800  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    55   0.05050  1.0 1.0
   40    45    48    55  -1.30700 -1.0 2.0
   40    45    48    55   0.91550  1.0 3.0
   41    40    45    48   0.03000  1.0 3.0
   42    40    45    48   0.03000  1.0 3.0
   45    48    55    56   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   50    48    55    56   0.00000  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    46    43    44  10.50000 -1.0 2.0
END
