* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    194     363
    1     0 S   NP   _N1_     1    29.00534    98.86302   -18.49066
    2     1 S   H    _HN1     2     1.02778    80.73306   -95.72625
    3     1 S   H    _H1_     3     1.02956    69.62104    17.89670
    4     1 S   H    _H2_     4     1.02839    56.97279   145.76995
    5     1 S   CT   _CA1     5     1.50092   165.38273   110.77553
    6     5 S   HC   _HA1     6     1.09577   105.22360    90.01593
    7     5 S   CO3  _C1_     7     1.53670   112.47415   -30.18350
    8     7 S   O2Z  _O11     8     1.26348   114.94302   -43.21538
    9     7 S   O2Z  _O12     9     1.26235   114.88849   136.01163
   10     5 S   CT   _CB1    10     1.53076   107.47300  -152.07644
   11    10 S   HC   HB11    11     1.09824   109.15408   -51.61153
   12    10 S   HC   HB12    12     1.09816   110.50954    64.90835
   13    10 S   CT   _CG1    13     1.53012   112.69069  -172.74937
   14    13 S   HC   HG11    14     1.09609   110.49678   -67.19851
   15    13 S   HC   HG12    15     1.09666   109.89556    51.97224
   16    13 S   C    _CD1    16     1.51845   112.31284   172.23393
   17    16 S   O    _OE1    17     1.22728   123.31902     2.50507
   18    16 S   N    _N2_    18     1.38485   111.63917  -177.58038
   19    18 S   H    _HN2    19     1.01621   118.93168     4.06616
   20    18 S   CT1  _CA2    20     1.45725   123.18488   175.93789
   21    20 S   HC   _HA2    21     1.09706   109.26509    18.82366
   22    20 S   C    _C2_    22     1.52938   106.62715   -98.00207
   23    22 S   O    _O2_    23     1.22979   123.02516   -27.09005
   24    20 S   CT   _CB2    32     1.53120   111.93547   142.44668
   25    24 S   HC   HB21    33     1.09276   110.19520    50.97142
   26    24 S   HC   HB22    34     1.09553   110.24028   168.46691
   27    22 S   N    _N3_    24     1.38485   112.57235   155.65170
   28    27 S   H    _HN3    25     1.01654   120.38881    -2.11933
   29    24 S   S    _SG2    35     1.82888   111.38231   -73.57806
   30    27 S   CT   _CA3    26     1.45364   122.48502   178.60759
   31    30 S   HC   HA31    27     1.09566   107.81002   -55.91852
   32    30 S   HC   HA32    28     1.09563   107.61326    60.42070
   33    29 S   CT   _C5_    36     1.84068   102.16127   120.48557
   34    30 S   CO3  _C3_    29     1.52893   114.31051  -177.80688
   35    34 S   O2Z  _O31    30     1.26339   116.05026     0.40056
   36    34 S   O2Z  _O32    31     1.26436   114.41776  -179.63523
   37    33 S   CO4  _C8_    37     1.51821   108.01968   179.79729
   38    37 S   O    _O34    38     1.22240   126.61765   -45.04408
   39    33 S   CT   _C4_    66     1.53218   111.72334    61.76081
   40    39 S   HC   _H5_    67     1.09359   112.91707   -66.63125
   41    39 S   HC   _H6_    68     1.09675   111.06329   173.26085
   42    39 S   HC   _H7_    69     1.09679   111.33810    54.96137
   43    37 S   OS   _O33    39     1.36755   110.05848   137.46938
   44    43 S   CT   _C7_    40     1.43553   110.38500    -0.03956
   45    44 S   HC   _H4_    41     1.09702   106.55880    99.11654
   46    44 S   CA   _C9_    42     1.51975   111.04540  -141.94605
   47    33 S   CT   _C6_    62     1.52962   112.04847   -69.46525
   48    47 S   HC   _H3_    63     1.09706   111.37226   -26.79784
   49    46 S   CA   _C10    43     1.41009   120.19416    28.43212
   50    49 S   HA   _H8_    44     1.08828   119.88845    -0.04846
   51    47 S   OH   _O38    64     1.41891   112.48438    95.23048
   52    51 S   HO   _H15    65     0.97337   107.82078   170.09309
   53    49 S   CA   _C11    45     1.39549   120.90814   179.73093
   54    53 S   CA   _C15    46     1.38788   118.76034    -0.19383
   55    54 S   CA   _C16    47     1.39358   121.88759    -0.67202
   56    55 S   HA   _H11    48     1.08499   118.35339  -179.07783
   57    54 S   OS   _O36    55     1.41046   120.66662   179.96044
   58    46 S   CA   _C17    49     1.41386   120.66816  -153.32288
   59    57 S   CO4  _C14    56     1.39024   121.48414     0.83063
   60    59 S   O    _O35    57     1.22626   122.09737   179.76427
   61    58 S   OS   _O37    50     1.37294   115.91927    -0.39117
   62    59 S   CM   _C13    58     1.47444   116.82761    -0.80113
   63    62 S   HC   _H10    59     1.08411   117.11066  -179.80218
   64    61 S   CT   _C18    51     1.42269   117.32882  -175.91002
   65    64 S   HC   _H12    52     1.09427   107.69603   177.68244
   66    64 S   HC   _H13    53     1.09505   111.20332    59.96913
   67    64 S   HC   _H14    54     1.09482   111.07204   -64.66373
   68    53 S   CM   _C12    60     1.45308   122.27407  -179.92087
   69    68 S   HC   _H9_    61     1.08427   119.12589    -0.15323
  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  12   5   4   3
  14   2   1   1  12   4   8   3   2   1   8  12   6  13   5   2
  10   4   1   1  10  10   7   3   6   5   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    48    51    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    47    48    51    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    48    51    39    40    41    42  
   43    44    47    39  
   40    41    42    43    44    47    48    51  
   41    42    47  
   42    47  
   47  
   44    45    46    49    58    47    48    51  
   45    46    49    50    53    55    58    61    47    48    51    52  
   46    49    58    47    48    51  
   49    50    53    54    55    56    58    61    64    68    47    48    51  
   48    51    52    49    58  
   51    52  
   50    53    54    55    58    61    57    62    68    69  
   53    54    58    68  
   52  
    0  
   54    55    56    58    57    59    62    63    68    69  
   55    56    58    61    57    59    60    62    68    69  
   56    58    61    64    57    59    68  
   58    61    57  
   59    60    62    63    68    58  
   61    64    65    66    67  
   60    62    63    68    69  
   62    63    68  
   64    65    66    67  
   63    68    69  
   68    69  
   65    66    67  
   66    67  
   67  
    0  
   69  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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    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   317.000  1.522
   33    47   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    47   268.000  1.529
   46    49   469.000  1.400
   46    58   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   469.000  1.400
   53    68   320.000  1.460
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    61   450.000  1.364
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    62   320.000  1.462
   62    63   340.000  1.080
   62    68   549.000  1.340
   68    69   340.000  1.080
   47    48   340.000  1.090
   47    51   320.000  1.410
   51    52   553.000  0.945
   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    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  110.18000
   29    33    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    81.00000  111.40000
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    51    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    83.00000  116.90000
   43    37    38    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  111.85700
   43    44    47    50.00000  109.50000
   44    46    49    70.00000  120.00000
   44    46    58    70.00000  120.00000
   44    47    48    37.50000  110.70000
   44    47    51    50.00000  109.50000
   46    44    45    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   46    58    55    63.00000  120.00000
   46    58    61    70.00000  120.00000
   49    53    54    63.00000  120.00000
   49    53    68    60.00000  120.93500
   53    49    50    35.00000  120.00000
   53    54    55    63.00000  120.00000
   53    54    57    70.00000  120.00000
   53    68    62    60.00000  123.20500
   53    68    69    40.00000  117.26300
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    59    85.00000  115.98000
   55    58    61    70.00000  120.00000
   58    46    49    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    64    75.00000  111.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   57    54    55    70.00000  120.00000
   57    59    60    83.00000  123.40000
   57    59    62    90.00000  111.29400
   59    62    63    40.00000  117.72500
   59    62    68    65.00000  118.96000
   62    59    60    80.00000  123.72100
   62    68    69    35.00000  120.00000
   68    53    54    60.00000  120.93500
   68    62    63    35.00000  120.00000
   47    33    37    63.00000  111.10000
   47    44    45    37.50000  110.70000
   47    44    46    70.00000  112.17500
   47    51    52    55.00000  108.50000
   51    47    48    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    47    58.35000  112.70000
   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    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.40000  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    51   0.56750  1.0 1.0
   29    33    47    51  -0.07550 -1.0 2.0
   29    33    47    51   0.20000  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    37   -43    44   1.63150  1.0 1.0
   33    37   -43    44   2.92000 -1.0 2.0
   33    47    51    52  -0.11600  1.0 1.0
   33    47    51    52  -0.09450 -1.0 2.0
   33    47    51    52   0.21250  1.0 3.0
   37    33   -47    44  -0.95700  1.0 1.0
   37    33   -47    44  -0.18200 -1.0 2.0
   37    33   -47    44   0.29450  1.0 3.0
   37    33    47    48  -0.11250  1.0 3.0
   37    33    47    51  -0.09450  1.0 1.0
   37    33    47    51  -1.12950 -1.0 2.0
   37    33    47    51   0.54000  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43    44    45   0.08050  1.0 3.0
   37    43    44    46  -0.43900 -1.0 2.0
   37    43    44    46   0.14100  1.0 3.0
   37    43   -44    47  -0.25900  1.0 1.0
   37    43   -44    47  -0.47000 -1.0 2.0
   37    43   -44    47   0.11750  1.0 3.0
   38    37    43    44   3.00000 -1.0 2.0
   43    44    46    49   0.64500  1.0 1.0
   43    44    46    49   0.14800 -1.0 2.0
   43    44    46    49   0.20650  1.0 3.0
   43    44    46    58   0.64500  1.0 1.0
   43    44    46    58   0.14800 -1.0 2.0
   43    44    46    58   0.20650  1.0 3.0
   43    44   -47    33   0.62750  1.0 1.0
   43    44   -47    33  -0.30950 -1.0 2.0
   43    44   -47    33   0.27300  1.0 3.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    51   3.69350  1.0 1.0
   43    44    47    51  -1.82950 -1.0 2.0
   44    46    49    50   3.62500 -1.0 2.0
   44    46    49    53   3.62500 -1.0 2.0
   44    46    58    55   3.62500 -1.0 2.0
   44    46    58    61   3.62500 -1.0 2.0
   44    47    51    52  -0.11600  1.0 1.0
   44    47    51    52  -0.09450 -1.0 2.0
   44    47    51    52   0.21250  1.0 3.0
   45    44    46    49   0.00000  1.0 1.0
   45    44    46    58   0.00000  1.0 1.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.23400  1.0 3.0
   46    44    47    33  -0.03700  1.0 1.0
   46    44    47    33   0.37200 -1.0 2.0
   46    44    47    33  -0.47300  1.0 3.0
   46    44    47    48   0.43200  1.0 3.0
   46    44    47    51   1.13150  1.0 1.0
   46    44    47    51  -1.01400 -1.0 2.0
   46    49    53    54   3.62500 -1.0 2.0
   46    49    53    68   3.62500 -1.0 2.0
   46    58    61    64   1.63200 -1.0 2.0
   49    46    58    55   3.62500 -1.0 2.0
   49    46    58    61   3.62500 -1.0 2.0
   49    53   -54    55   3.62500 -1.0 2.0
   49    53    54    57   3.62500 -1.0 2.0
   49    53    68    62   0.15800  1.0 1.0
   49    53    68    62   1.85350 -1.0 2.0
   49    53    68    62  -0.48700  1.0 3.0
   49    53    68    69   0.56550  1.0 3.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    68   3.62500 -1.0 2.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54    57    59   0.01300  1.0 1.0
   53    54    57    59   0.97950 -1.0 2.0
   53    54    57    59  -0.55700  1.0 3.0
   54    53    68    62   0.15800  1.0 1.0
   54    53    68    62   1.85350 -1.0 2.0
   54    53    68    62  -0.48700  1.0 3.0
   54    53    68    69   0.56550  1.0 3.0
   54    55   -58    46   3.62500 -1.0 2.0
   54    55    58    61   3.62500 -1.0 2.0
   54    57    59    60   3.00000 -1.0 2.0
   54    57   -59    62   2.00000 -1.0 2.0
   55    54    57    59   0.01300  1.0 1.0
   55    54    57    59   0.97950 -1.0 2.0
   55    54    57    59  -0.55700  1.0 3.0
   55    58    61    64   1.63200 -1.0 2.0
   56    55    58    46   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    46    49    50   3.62500 -1.0 2.0
   58    46   -49    53   3.62500 -1.0 2.0
   58    61    64    65   0.08050  1.0 3.0
   58    61    64    66   0.08050  1.0 3.0
   58    61    64    67   0.08050  1.0 3.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    59    62    63   1.63100 -1.0 2.0
   57    59    62    68  -0.56150  1.0 1.0
   57    59    62    68   2.19150 -1.0 2.0
   59    62   -68    53   7.00000 -1.0 2.0
   59    62    68    69   7.00000 -1.0 2.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    68   1.00000 -1.0 2.0
   63    62    68    53   7.00000 -1.0 2.0
   63    62    68    69   7.00000 -1.0 2.0
   68    53    54    55   3.62500 -1.0 2.0
   68    53   -54    57   3.62500 -1.0 2.0
   47    33    37    38   0.30150 -1.0 2.0
   47    33   -37    43   0.36750  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    33    39    41   0.15000  1.0 3.0
   47    33    39    42   0.15000  1.0 3.0
   47    44    46    49   0.04150 -1.0 2.0
   47    44    46    58   0.04150 -1.0 2.0
   48    47    51    52   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.36750  1.0 3.0
   39    33    47    44   0.56750  1.0 1.0
   39    33    47    44  -0.07550 -1.0 2.0
   39    33    47    44   0.20000  1.0 3.0
   39    33    47    48   0.15000  1.0 3.0
   39    33    47    51   0.86500  1.0 1.0
   39    33    47    51  -0.17500 -1.0 2.0
   39    33    47    51   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   49    58    46    44   4.00000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   54    68    53    49   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   55    61    58    46   4.00000 -1.0 2.0
   57    62    59    60  10.50000 -1.0 2.0
   59    63    62    68   1.10000 -1.0 2.0
   53    69    68    62   1.10000 -1.0 2.0
END
