* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    138    214     410
    1     0 S   NP   _N1_     1    28.80477    95.09915   -21.55902
    2     1 S   H    _HN1     2     1.02804    97.78236   -84.26898
    3     1 S   H    _H1_     3     1.02944    79.92767    22.96658
    4     1 S   H    _H2_     4     1.02848    34.26822   165.51923
    5     1 S   CT   _CA1     5     1.50090   141.88732   133.62654
    6     5 S   HC   _HA1     6     1.09587   105.19302    78.03218
    7     5 S   CO3  _C1_     7     1.53695   112.18247   -42.02182
    8     7 S   O2Z  _O11     8     1.26321   115.13948   -52.52676
    9     7 S   O2Z  _O12     9     1.26231   114.95107   126.60253
   10     5 S   CT   _CB1    10     1.53103   107.40064  -164.34465
   11    10 S   HC   HB11    11     1.09834   109.18683   -51.66563
   12    10 S   HC   HB12    12     1.09809   110.60704    64.86049
   13    10 S   CT   _CG1    13     1.53021   112.61656  -172.68627
   14    13 S   HC   HG11    14     1.09607   110.57907   -66.86512
   15    13 S   HC   HG12    15     1.09671   109.82519    52.33115
   16    13 S   C    _CD1    16     1.51877   112.15552   172.62190
   17    16 S   O    _OE1    17     1.22732   123.26131     6.00081
   18    16 S   N    _N2_    18     1.38610   111.73352  -174.05637
   19    18 S   H    _HN2    19     1.01600   118.94786     0.66823
   20    18 S   CT1  _CA2    20     1.46342   123.44156   176.83090
   21    20 S   HC   _HA2    21     1.09739   109.41057    -5.23357
   22    20 S   C    _C2_    22     1.53470   108.25662  -120.54351
   23    22 S   O    _O2_    23     1.23024   122.39432  -148.02241
   24    20 S   CTL  _CB2    32     1.53298   111.48906   117.07073
   25    24 S   HC   HB21    33     1.09574   109.59617    53.88138
   26    24 S   HC   HB22    34     1.09516   110.60672   172.99669
   27    22 S   N    _N3_    24     1.38359   113.49202    39.46619
   28    27 S   H    _HN3    25     1.01619   119.51256    -3.41357
   29    24 S   S    _SG2    35     1.82613   111.11627   -67.48098
   30    27 S   CT   _CA3    26     1.45281   123.22412   177.09572
   31    30 S   HC   HA31    27     1.09548   107.51568   -64.54330
   32    30 S   HC   HA32    28     1.09555   107.98619    51.90330
   33    29 S   S    _S1_    36     2.05782   102.16069   166.61800
   34    30 S   CO3  _C3_    29     1.52954   114.04936   173.89318
   35    34 S   O2Z  _O31    30     1.26378   116.04133    -0.70332
   36    34 S   O2Z  _O32    31     1.26423   114.42046   179.35290
   37    33 S   CT   _C11    37     1.83378   102.82730   -81.16501
   38    37 S   HC   _H17    38     1.09456   108.25547    56.21146
   39    37 S   HC   _H18    39     1.09458   105.26244   171.67588
   40    37 S   CT   _C10    40     1.53926   112.86066   -67.64607
   41    40 S   HC   _H7_    41     1.09497   108.62562    44.90595
   42    40 S   CT   _C9_    42     1.55812   114.12974   163.14114
   43    42 S   SM   _S2_    43     1.86232   110.89710    60.42104
   44    42 S   HC   _H6_    44     1.09639   105.80879   -60.41627
   45    40 S   OH   _O33    72     1.42870   110.47839   -71.10861
   46    45 S   HO   _H19    73     0.97264   107.30865    50.37106
   47    42 S   CT   _C8_    45     1.54965   111.67707  -179.62570
   48    47 S   HC   _H5_    46     1.10072   110.35887   -73.53822
   49    47 S   CT   _C7_    47     1.52406   116.79731    50.44023
   50    49 S   HC   _H15    48     1.09584   111.69470    51.38207
   51    49 S   HC   _H16    49     1.09392   112.81189   -70.91246
   52    49 S   CT   _C6_    50     1.51830   102.12839   170.07653
   53    52 S   HC   _H13    51     1.09701   109.21963    80.66214
   54    52 S   HC   _H14    52     1.09424   111.89603  -160.85575
   55    52 S   CT   _C5_    53     1.53506   105.61398   -38.94673
   56    55 S   HC   _H4_    54     1.09676   109.68351   -97.95019
   57    55 S   CT   _C12    55     1.53939   112.99151   136.72742
   58    57 S   HC   _H8_    56     1.09757   109.73721   -60.92468
   59    47 S   NP   _N4_    66     1.53616   114.43508   168.70133
   60    59 S   H    _H3_    67     1.02949   107.02389    81.31545
   61    57 S   CT   _C13    57     1.54029   113.62964    61.28143
   62    61 S   HC   _H9_    58     1.09598   109.62157   -69.96512
   63    59 S   CT   _C4_    68     1.50948   116.44097   -37.60407
   64    63 S   HC   _H10    69     1.09132   108.88001   -51.24987
   65    63 S   HC   _H11    70     1.09108   108.75911    70.20632
   66    63 S   HC   _H12    71     1.09315   108.29972  -171.93111
   67    61 S   CT   _C14    59     1.52880   110.32065   170.28333
   68    67 S   HC   _H20    60     1.09468   110.77507    71.26564
   69    67 S   HC   _H21    61     1.09388   111.89529  -167.13103
   70    61 S   OH   _O34    64     1.42712   111.02084    47.12900
   71    70 S   HO   _H22    65     0.97260   107.82449  -179.83449
   72    67 S   S    _S3_    62     1.81187   107.85441   -47.25110
   73    57 S   S    _S4_    63     1.83047   111.49287  -178.62769
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4  10   6  14   6   5   2   1  16   8
  11   6   5  11   5   4  15   7  13   7   7   4   8   7   3   2
   1   1   6   4   3   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    47    45    46  
   39    40    41    42    45  
   40    41    42    45  
   41    42    43    44    47    48    49    59    45    46  
   42    43    44    47    45    46  
   43    44    47    48    49    50    51    52    55    59    60    63    45    46  
   44    47    48    49    59    45  
   47    48    49    59    45  
   46    47  
    0  
   48    49    50    51    52    53    54    55    56    57    59    60    63    64    65    66  
   49    50    51    52    55    59    60    63  
   50    51    52    53    54    55    56    57    59    60    63  
   51    52    53    54    55    59  
   52    53    54    55    59  
   53    54    55    56    57    58    61    73    59    60    63  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    61    62    67    72    73    70    59    60    63    64    65    66  
   57    58    61    73    59    60    63  
   58    61    62    67    68    69    72    73    70    71    59    60    63  
   61    62    67    72    73    70    59  
   60    63    64    65    66    61    73  
   63    64    65    66  
   62    67    68    69    72    73    70    71  
   67    68    69    72    73    70    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    72    73    70    71  
   69    72    73    70  
   72    73    70  
   71    72    73  
    0  
   73  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.200000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   44   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   73   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    45   320.000  1.410
   42    43   222.000  1.810
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    59   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   367.000  1.471
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    73   222.000  1.810
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   222.000  1.810
   72    73   166.000  2.038
   70    71   553.000  0.945
   59    60   434.000  1.010
   59    63   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    75.00000  111.63000
   37    40    41    37.50000  110.70000
   37    40    42    58.35000  112.70000
   37    40    45    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    75.00000  111.63000
   40    42    44    37.50000  110.70000
   40    42    47    58.35000  112.70000
   40    45    46    55.00000  108.50000
   42    40    41    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    58.35000  112.70000
   42    47    59    80.00000  111.20000
   44    42    43    35.00000  109.50000
   47    42    43    75.00000  111.63000
   47    42    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    59    55    75.00000  113.01200
   47    59    60    35.00000  109.50000
   47    59    63    75.00000  113.01200
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    59    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    73    75.00000  111.63000
   55    59    60    35.00000  109.50000
   55    59    63    75.00000  113.01200
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    67    58.35000  112.70000
   57    61    70    50.00000  109.50000
   57    73    72    68.00000  103.70000
   61    57    58    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    75.00000  111.63000
   61    70    71    55.00000  108.50000
   67    61    62    37.50000  110.70000
   67    72    73    68.00000  103.70000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   73    57    58    35.00000  109.50000
   73    57    61    75.00000  111.63000
   70    61    62    35.00000  109.50000
   70    61    67    50.00000  109.50000
   59    47    48    35.00000  109.50000
   59    47    49    80.00000  111.20000
   59    55    56    35.00000  109.50000
   59    55    57    80.00000  111.20000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   63    59    60    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    50.00000  109.50000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.24000  1.0 3.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.44750  1.0 1.0
   33    37    40    42  -0.17800 -1.0 2.0
   33    37    40    42   0.20200  1.0 3.0
   33    37    40    45   0.56750  1.0 1.0
   33    37    40    45  -0.07550 -1.0 2.0
   33    37    40    45   0.20000  1.0 3.0
   37    40    42    43   0.44750  1.0 1.0
   37    40    42    43  -0.17800 -1.0 2.0
   37    40    42    43   0.20200  1.0 3.0
   37    40    42    44   0.15000  1.0 3.0
   37    40    42    47   0.56750  1.0 1.0
   37    40    42    47  -0.07550 -1.0 2.0
   37    40    42    47   0.20000  1.0 3.0
   37    40    45    46  -0.11600  1.0 1.0
   37    40    45    46  -0.09450 -1.0 2.0
   37    40    45    46   0.21250  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   38    37    40    45   0.23400  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42   0.15000  1.0 3.0
   39    37    40    45   0.23400  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.56750  1.0 1.0
   40    42    47    49  -0.07550 -1.0 2.0
   40    42    47    49   0.20000  1.0 3.0
   40    42    47    59   1.36600  1.0 1.0
   40    42    47    59  -0.11450 -1.0 2.0
   40    42    47    59   0.24250  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40    42    44   0.15000  1.0 3.0
   41    40    42    47   0.15000  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   42    40    45    46  -0.11600  1.0 1.0
   42    40    45    46  -0.09450 -1.0 2.0
   42    40    45    46   0.21250  1.0 3.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47    49    52   0.56750  1.0 1.0
   42    47    49    52  -0.07550 -1.0 2.0
   42    47    49    52   0.20000  1.0 3.0
   42    47    59    55   0.47100  1.0 1.0
   42    47    59    60   0.17350  1.0 3.0
   42    47    59    63   0.47100  1.0 1.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.44750  1.0 1.0
   43    42    47    49  -0.17800 -1.0 2.0
   43    42    47    49   0.20200  1.0 3.0
   43    42    47    59   0.71400  1.0 1.0
   43    42    47    59   0.04300 -1.0 2.0
   43    42    47    59   0.01450  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    59   0.19200  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49   -52    55   0.56750  1.0 1.0
   47    49   -52    55  -0.07550 -1.0 2.0
   47    49   -52    55   0.20000  1.0 3.0
   47    59    63    64   0.15000  1.0 3.0
   47    59    63    65   0.15000  1.0 3.0
   47    59    63    66   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    59    55   0.15000  1.0 3.0
   48    47    59    60   0.13050  1.0 3.0
   48    47    59    63   0.15000  1.0 3.0
   49    47   -59    55   0.47100  1.0 1.0
   49    47    59    60   0.17350  1.0 3.0
   49    47    59    63   0.47100  1.0 1.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.56750  1.0 1.0
   49    52    55    57  -0.07550 -1.0 2.0
   49    52    55    57   0.20000  1.0 3.0
   49    52   -55    59   1.36600  1.0 1.0
   49    52   -55    59  -0.11450 -1.0 2.0
   49    52   -55    59   0.24250  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    61   0.56750  1.0 1.0
   52    55    57    61  -0.07550 -1.0 2.0
   52    55    57    61   0.20000  1.0 3.0
   52    55    57    73   0.44750  1.0 1.0
   52    55    57    73  -0.17800 -1.0 2.0
   52    55    57    73   0.20200  1.0 3.0
   52    55   -59    47   0.47100  1.0 1.0
   52    55    59    60   0.17350  1.0 3.0
   52    55    59    63   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    59   0.19200  1.0 3.0
   55    57    61    62   0.15000  1.0 3.0
   55    57    61    67   0.56750  1.0 1.0
   55    57    61    67  -0.07550 -1.0 2.0
   55    57    61    67   0.20000  1.0 3.0
   55    57    61    70   0.86500  1.0 1.0
   55    57    61    70  -0.17500 -1.0 2.0
   55    57    61    70   0.20800  1.0 3.0
   55    57    73    72   0.09450  1.0 1.0
   55    57    73    72  -0.17100 -1.0 2.0
   55    57    73    72   0.39100  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59    63    66   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    57    73   0.15000  1.0 3.0
   56    55    59    47   0.15000  1.0 3.0
   56    55    59    60   0.13050  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   57    55    59    47   0.47100  1.0 1.0
   57    55    59    60   0.17350  1.0 3.0
   57    55    59    63   0.47100  1.0 1.0
   57    61    67    68   0.15000  1.0 3.0
   57    61    67    69   0.15000  1.0 3.0
   57    61   -67    72   0.44750  1.0 1.0
   57    61   -67    72  -0.17800 -1.0 2.0
   57    61   -67    72   0.20200  1.0 3.0
   57    61    70    71  -0.11600  1.0 1.0
   57    61    70    71  -0.09450 -1.0 2.0
   57    61    70    71   0.21250  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    67   0.15000  1.0 3.0
   58    57    61    70   0.23400  1.0 3.0
   58    57    73    72   0.24000  1.0 3.0
   61    57   -73    72   0.09450  1.0 1.0
   61    57   -73    72  -0.17100 -1.0 2.0
   61    57   -73    72   0.39100  1.0 3.0
   61    67   -72    73   0.09450  1.0 1.0
   61    67   -72    73  -0.17100 -1.0 2.0
   61    67   -72    73   0.39100  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   62    61    70    71   0.19450  1.0 3.0
   67    61    70    71  -0.11600  1.0 1.0
   67    61    70    71  -0.09450 -1.0 2.0
   67    61    70    71   0.21250  1.0 3.0
   67    72   -73    57  -3.49700 -1.0 2.0
   67    72   -73    57   0.74750  1.0 3.0
   68    67    72    73   0.24000  1.0 3.0
   69    67    72    73   0.24000  1.0 3.0
   73    57    61    62   0.15000  1.0 3.0
   73    57   -61    67   0.44750  1.0 1.0
   73    57   -61    67  -0.17800 -1.0 2.0
   73    57   -61    67   0.20200  1.0 3.0
   73    57    61    70   0.56750  1.0 1.0
   73    57    61    70  -0.07550 -1.0 2.0
   73    57    61    70   0.20000  1.0 3.0
   70    61    67    68   0.23400  1.0 3.0
   70    61    67    69   0.23400  1.0 3.0
   70    61    67    72   0.56750  1.0 1.0
   70    61    67    72  -0.07550 -1.0 2.0
   70    61    67    72   0.20000  1.0 3.0
   59    47    49    50   0.19200  1.0 3.0
   59    47    49    51   0.19200  1.0 3.0
   59    47   -49    52   1.36600  1.0 1.0
   59    47   -49    52  -0.11450 -1.0 2.0
   59    47   -49    52   0.24250  1.0 3.0
   59    55    57    58   0.19200  1.0 3.0
   59    55    57    61   1.36600  1.0 1.0
   59    55    57    61  -0.11450 -1.0 2.0
   59    55    57    61   0.24250  1.0 3.0
   59    55    57    73   0.56750  1.0 1.0
   59    55    57    73  -0.07550 -1.0 2.0
   59    55    57    73   0.20000  1.0 3.0
   60    59    63    64   0.13050  1.0 3.0
   60    59    63    65   0.13050  1.0 3.0
   60    59    63    66   0.13050  1.0 3.0
   45    40    42    43   0.56750  1.0 1.0
   45    40    42    43  -0.07550 -1.0 2.0
   45    40    42    43   0.20000  1.0 3.0
   45    40    42    44   0.23400  1.0 3.0
   45    40    42    47   0.86500  1.0 1.0
   45    40    42    47  -0.17500 -1.0 2.0
   45    40    42    47   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
END
