* LIGAND DATABASE FILE (OPLS2005)
*
001      66    69    124    202     357
    1     0 S   NP   _N1_     1    30.36087   101.27028   -19.35300
    2     1 S   H    _HN1     2     1.02819    77.63025   162.53552
    3     1 S   H    _H1_     3     1.02813    90.11408   -89.08599
    4     1 S   H    _H2_     4     1.02921    42.05019    29.02698
    5     1 S   CT   _CA1     5     1.50230   150.90059    52.21298
    6     5 S   HC   _HA1     6     1.09561   104.95674   161.70043
    7     5 S   CO3  _C1_     7     1.53891   112.92833    41.98078
    8     7 S   O2Z  _O11     8     1.26409   115.01231   -25.48126
    9     7 S   O2Z  _O12     9     1.26246   115.12301   153.50855
   10     5 S   CT   _CB1    10     1.53068   107.30351   -80.08898
   11    10 S   HC   HB11    11     1.09855   109.53436   -42.93685
   12    10 S   HC   HB12    12     1.09766   110.30557    73.63604
   13    10 S   CT   _CG1    13     1.53030   112.80369  -163.60529
   14    13 S   HC   HG11    14     1.09368   111.22912   -68.93989
   15    13 S   HC   HG12    15     1.09659   109.40652    50.14227
   16    13 S   C    _CD1    16     1.51815   111.48091   170.72312
   17    16 S   O    _OE1    17     1.22760   122.99699    24.12610
   18    16 S   N    _N2_    18     1.38590   112.01079  -155.71010
   19    18 S   H    _HN2    19     1.01560   118.86702    -0.32264
   20    18 S   CT1  _CA2    20     1.46326   123.45017   171.99771
   21    20 S   HC   _HA2    21     1.09732   109.52676     7.47654
   22    20 S   C    _C2_    22     1.53724   107.98878  -107.73158
   23    22 S   O    _O2_    23     1.23030   122.39236  -146.06757
   24    20 S   CT   _CB2    32     1.53173   111.38737   130.10818
   25    24 S   HC   HB21    33     1.09553   109.86533    53.05561
   26    24 S   HC   HB22    34     1.09497   110.85970   171.72315
   27    22 S   N    _N3_    24     1.38351   113.60254    41.15101
   28    27 S   H    _HN3    25     1.01525   119.56221    -2.22070
   29    24 S   S    _SG2    35     1.82785   111.10636   -69.50635
   30    27 S   CT   _CA3    26     1.45262   123.60476   177.98074
   31    30 S   HC   HA31    27     1.09536   107.43160   -68.11173
   32    30 S   HC   HA32    28     1.09546   108.16183    48.46045
   33    29 S   CT   _C18    36     1.83802   100.10398   133.69518
   34    33 S   HC   _H5_    37     1.09568   107.52500   -50.14123
   35    30 S   CO3  _C3_    29     1.53064   113.81665   170.51067
   36    35 S   O2Z  _O31    30     1.26423   116.07455    -0.85042
   37    35 S   O2Z  _O32    31     1.26416   114.43626   179.21341
   38    33 S   CT   _C17    38     1.53432   112.07473    69.36648
   39    38 S   HC   _H12    39     1.09526   111.26183   -51.49936
   40    38 S   HC   _H13    40     1.09752   109.43707  -169.91548
   41    38 S   CO4  _C16    41     1.51982   113.44159    71.45600
   42    41 S   O    _O37    42     1.22979   121.60598  -152.90867
   43    41 S   CM   _C15    43     1.48410   118.77786    30.45924
   44    43 S   HC   _H11    44     1.08270   118.61877   175.69607
   45    43 S   CM   _C14    45     1.33862   118.91312    -4.64992
   46    45 S   HC   _H10    46     1.08723   117.85236  -179.82641
   47    33 S   C3T  _C13    47     1.52027   108.51618  -169.49367
   48    47 S   C3T  _C12    48     1.53136   122.55324    76.84220
   49    48 S   HC   _H4_    49     1.08387   118.60397  -157.21997
   50    48 S   CT   _C10    50     1.49172   123.93818    -3.73591
   51    50 S   HC   _H3_    51     1.09541   113.38752    30.66706
   52    47 S   O3T  _O36    66     1.44510   111.60340   140.90937
   53    50 S   CO4  _C11    52     1.51045   112.72885   153.93518
   54    53 S   O    _O35    53     1.21564   127.82513   -56.04057
   55    50 S   OS   _O34    63     1.45289   109.21678   -89.36798
   56    53 S   CA   _C6_    54     1.43782   107.11954   123.42446
   57    56 S   CA   _C5_    55     1.37980   131.03206   177.37684
   58    57 S   HA   _H7_    56     1.08365   121.84364    -0.40926
   59    57 S   CA   _C4_    57     1.39541   116.99497  -179.81977
   60    59 S   HA   _H6_    58     1.08655   119.32193   179.26751
   61    59 S   CA   _C9_    59     1.40671   120.11115    -0.07402
   62    61 S   CA   _C8_    60     1.39647   121.58598    -0.36637
   63    62 S   HA   _H8_    61     1.08440   121.29064   179.86730
   64    61 S   OH   _O33    64     1.36809   120.55605   179.29307
   65    64 S   HO   _H9_    65     0.97254   108.39099    -2.94264
   66    56 S   CA   _C7_    62     1.37945   105.76036    -2.76116
  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  10   5   4   3
  14   8   2   1   1  10   5   4   6   3   6   3   6   3   7   9
   5   9   6   2   8   4   6   8   7   4   7   3   5   4   2   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    48    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    49    50    52  
   38    39    40    41    45    47    48    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    52  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47  
   43    44    45  
   44    45    46    47    48    52  
   45    46    47  
   46    47    48    49    50    52  
   47    48    52  
   48    49    50    51    53    55    52  
   49    50    51    53    54    56    66    55    52  
   50    51    53    55    52  
   51    53    54    56    57    62    66    55    52  
   53    54    56    66    55    52  
   53    55  
   54    56    57    58    59    62    66    55  
   56    57    66    55  
   56    57    61    62    63    66  
   57    58    59    60    61    62    63    66  
   58    59    60    61    62    66    64  
   59    60    61    66  
   60    61    62    63    66    64    65  
   61    62    64  
   62    63    66    64    65  
   63    66    64    65  
   66    64  
   65    66  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.234500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    47   275.000  1.510
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   340.000  1.080
   45    47   305.000  1.480
   47    48   260.000  1.509
   47    52   335.000  1.432
   48    49   340.000  1.088
   48    50   275.000  1.510
   48    52   335.000  1.432
   50    51   340.000  1.090
   50    53   317.000  1.522
   50    55   320.000  1.410
   53    54   570.000  1.229
   53    56   310.000  1.470
   56    57   469.000  1.400
   56    66   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    55   450.000  1.364
   64    65   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    45    65.00000  117.55000
   33    47    48    60.00000  120.94000
   33    47    52    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    35.00000  120.00000
   43    45    47    55.00000  125.06700
   45    43    44    35.00000  120.00000
   45    47    48    60.00000  120.58800
   45    47    52    85.00000  114.23300
   47    33    34    45.00000  109.38400
   47    33    38    70.00000  112.37300
   47    45    46    40.00000  117.24000
   47    48    49    37.50000  117.20000
   47    48    50    60.00000  120.94000
   47    48    52    15.00000   60.43100
   47    52    48    15.00000   59.14900
   48    50    51    45.00000  109.38400
   48    50    53    63.00000  111.10000
   48    50    55    50.00000  109.50000
   50    48    49    40.00000  115.04500
   50    53    54    80.00000  120.40000
   50    53    56    65.00000  115.47100
   50    55    66    75.00000  111.00000
   53    50    51    35.00000  109.50000
   53    56    57    60.00000  119.52600
   53    56    66    60.00000  119.52600
   56    53    54    75.00000  123.78400
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    66    62    63.00000  120.00000
   56    66    55    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   59    61    64    70.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    55    70.00000  120.00000
   66    56    57    63.00000  120.00000
   66    62    63    35.00000  120.00000
   55    50    51    35.00000  109.50000
   55    50    53    90.00000  108.74100
   64    61    62    70.00000  120.00000
   52    47    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   52    48    50    80.00000  116.47100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.44750  1.0 1.0
   29    33    47    48  -0.17800 -1.0 2.0
   29    33    47    48   0.20200  1.0 3.0
   29    33    47    52   0.56750  1.0 1.0
   29    33    47    52  -0.07550 -1.0 2.0
   29    33    47    52   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    47    48    49   0.15000  1.0 3.0
   33    47    48    50   0.56750  1.0 1.0
   33    47    48    50  -0.07550 -1.0 2.0
   33    47    48    50   0.20000  1.0 3.0
   33    47   -48    52   0.02550  1.0 1.0
   33    47   -48    52  -0.02600 -1.0 2.0
   33    47   -48    52   1.20400  1.0 3.0
   33    47   -52    48   0.06250  1.0 1.0
   33    47   -52    48  -0.01100 -1.0 2.0
   33    47   -52    48   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    52   0.23400  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48   0.07850  1.0 1.0
   38    33    47    48  -0.03950 -1.0 2.0
   38    33    47    48   0.67350  1.0 3.0
   38    33    47    52   0.02550  1.0 1.0
   38    33    47    52  -0.02600 -1.0 2.0
   38    33    47    52   1.20400  1.0 3.0
   38    41    43    44   0.04550  1.0 1.0
   38    41    43    44   0.83000 -1.0 2.0
   38    41    43    44  -0.04000  1.0 3.0
   38    41   -43    45  -0.33500  1.0 1.0
   38    41   -43    45   1.06600 -1.0 2.0
   38    41   -43    45  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   7.00000 -1.0 2.0
   41    43    45    47   7.00000 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   1.00000 -1.0 2.0
   43    45   -47    33   0.09850  1.0 1.0
   43    45   -47    33   0.15250 -1.0 2.0
   43    45   -47    33  -0.50650  1.0 3.0
   43    45    47    48   0.09850  1.0 1.0
   43    45    47    48   0.15250 -1.0 2.0
   43    45    47    48  -0.50650  1.0 3.0
   43    45    47    52   0.39000  1.0 1.0
   43    45    47    52  -0.05800 -1.0 2.0
   43    45    47    52  -0.55150  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    47    48    49   0.15000  1.0 3.0
   45    47    48    50   0.34400  1.0 1.0
   45    47    48    50   0.09450 -1.0 2.0
   45    47    48    50   0.11100  1.0 3.0
   45    47   -48    52   0.61850  1.0 1.0
   45    47   -48    52  -0.22750 -1.0 2.0
   45    47   -48    52   0.15300  1.0 3.0
   45    47   -52    48  -0.77900  1.0 1.0
   45    47   -52    48  -0.36900 -1.0 2.0
   45    47   -52    48   0.40400  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    52   0.00000  1.0 1.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    48    50    51   0.15000  1.0 3.0
   47    48    50    53  -0.95700  1.0 1.0
   47    48    50    53  -0.18200 -1.0 2.0
   47    48    50    53   0.29450  1.0 3.0
   47    48    50    55  -0.26800  1.0 1.0
   47    48    50    55   0.69150 -1.0 2.0
   47    48    50    55  -0.48750  1.0 3.0
   48    50    53    54   0.30150 -1.0 2.0
   48    50    53    56   0.05850 -1.0 2.0
   48    50    53    56   0.17250  1.0 3.0
   48    50    55    66  -0.32850  1.0 1.0
   48    50    55    66  -0.35800 -1.0 2.0
   48    50    55    66   0.33950  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53  -0.11250  1.0 3.0
   49    48    50    55   0.23400  1.0 3.0
   49    48   -52    47   0.36800  1.0 3.0
   50    48   -52    47   0.06250  1.0 1.0
   50    48   -52    47  -0.01100 -1.0 2.0
   50    48   -52    47   0.28050  1.0 3.0
   50    53    56    57   2.26350  1.0 1.0
   50    53    56    57   0.76750 -1.0 2.0
   50    53    56    57   0.22500  1.0 3.0
   50    53   -56    66   2.26350  1.0 1.0
   50    53   -56    66   0.76750 -1.0 2.0
   50    53   -56    66   0.22500  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    50    55    66   0.08050  1.0 3.0
   53    50   -55    66  -0.25600  1.0 1.0
   53    50   -55    66  -0.40050 -1.0 2.0
   53    50   -55    66   0.34700  1.0 3.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    66    62   3.62500 -1.0 2.0
   53    56   -66    55   3.62500 -1.0 2.0
   54    53    56    57   1.05000 -1.0 2.0
   54    53    56    66   1.05000 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   56    66   -55    50   1.63200 -1.0 2.0
   57    56    66    62   3.62500 -1.0 2.0
   57    56    66    55   3.62500 -1.0 2.0
   57    59   -61    62   3.62500 -1.0 2.0
   57    59    61    64   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    66   3.62500 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   61    62   -66    56   3.62500 -1.0 2.0
   61    62    66    55   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66    55    50   1.63200 -1.0 2.0
   63    62    66    56   3.62500 -1.0 2.0
   63    62    66    55   3.62500 -1.0 2.0
   66    56    57    58   3.62500 -1.0 2.0
   66    56   -57    59   3.62500 -1.0 2.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50   -53    56   0.65300  1.0 1.0
   55    50   -53    56  -0.03850 -1.0 2.0
   55    50   -53    56   0.33900  1.0 3.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   52    47   -48    49   0.23400  1.0 3.0
   52    47   -48    50   0.02550  1.0 1.0
   52    47   -48    50  -0.02600 -1.0 2.0
   52    47   -48    50   1.20400  1.0 3.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53  -0.09450  1.0 1.0
   52    48    50    53  -1.12950 -1.0 2.0
   52    48    50    53   0.54000  1.0 3.0
   52    48    50    55   1.11900  1.0 1.0
   52    48    50    55  -1.16350 -1.0 2.0
   52    48    50    55  -0.34150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   50    56    53    54  10.50000 -1.0 2.0
   57    66    56    53   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    64    61    59   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    55    66    56   4.00000 -1.0 2.0
END
