* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    184     347
    1     0 S   NP   _N1_     1    28.79415    94.56054   -23.48102
    2     1 S   H    _HN1     2     1.02952    83.00631    23.87794
    3     1 S   H    _H1_     3     1.02830    28.37914   171.95048
    4     1 S   H    _H2_     4     1.02779   102.48554   -83.44693
    5     1 S   CT   _CA1     5     1.50114   135.22644   135.90446
    6     5 S   HC   _HA1     6     1.09566   105.23945    76.63471
    7     5 S   CO3  _C1_     7     1.53833   112.41293   -43.68998
    8     7 S   O2Z  _O11     8     1.26373   114.99653   -42.01822
    9     7 S   O2Z  _O12     9     1.26234   114.96501   137.16399
   10     5 S   CT   _CB1    10     1.53085   107.43567  -165.27631
   11    10 S   HC   HB11    11     1.09823   109.51636   -48.81433
   12    10 S   HC   HB12    12     1.09822   110.36523    67.83585
   13    10 S   CT   _CG1    13     1.52969   112.58446  -169.81856
   14    13 S   HC   HG11    14     1.09549   110.50916   -61.71435
   15    13 S   HC   HG12    15     1.09652   109.98035    57.46541
   16    13 S   C    _CD1    16     1.51777   112.30369   177.82192
   17    16 S   O    _OE1    17     1.22722   123.30895    -3.36569
   18    16 S   N    _N2_    18     1.38624   111.57389   176.85266
   19    18 S   H    _HN2    19     1.01585   118.98491     1.96523
   20    18 S   CT1  _CA2    20     1.46223   123.42243  -179.67494
   21    20 S   HC   _HA2    21     1.09734   109.37838    -5.02516
   22    20 S   C    _C2_    22     1.53408   108.55586  -120.61858
   23    22 S   O    _O2_    23     1.23036   122.35731  -148.31315
   24    20 S   CT   _CB2    32     1.53378   111.35375   116.90930
   25    24 S   HC   HB21    33     1.09583   109.78915    56.30605
   26    24 S   HC   HB22    34     1.09444   110.30665   175.40138
   27    22 S   N    _N3_    24     1.38357   113.55225    39.19693
   28    27 S   H    _HN3    25     1.01628   119.51455    -3.62671
   29    24 S   S    _SG2    35     1.82706   111.29747   -64.62179
   30    27 S   CT   _CA3    26     1.45289   123.12773   176.94937
   31    30 S   HC   HA31    27     1.09552   107.52284   -63.84419
   32    30 S   HC   HA32    28     1.09558   107.95015    52.56372
   33    29 S   CT   _C17    36     1.83240    99.76353   165.51434
   34    33 S   HC   _H3_    37     1.09647   110.64989   -37.17595
   35    30 S   CO3  _C3_    29     1.52933   114.13825   174.54037
   36    35 S   O2Z  _O31    30     1.26366   116.06030    -1.04642
   37    35 S   O2Z  _O32    31     1.26430   114.41172   179.01762
   38    33 S   CM   _C13    38     1.52038   109.50596  -156.60891
   39    38 S   CMA  _C11    39     1.36012   121.88975  -104.37894
   40    39 S   OM   _O17    40     1.26092   131.90704  -179.78150
   41    38 S   CT   _C19    51     1.54554   114.03607    77.50954
   42    41 S   HC   _H34    52     1.10159   106.96976     1.02144
   43    39 S   CM   _C10    41     1.46312   118.62635     0.62055
   44    43 S   HC   _H26    42     1.09119   118.18894   171.41538
   45    41 S   CA   _C9_    53     1.52997   112.96290   114.40073
   46    41 S   CM   _C16    64     1.51727   112.18417  -113.58863
   47    46 S   HC   _H29    65     1.08752   118.02656   -57.36896
   48    43 S   CM   _C12    43     1.33948   124.91168    -9.60054
   49    45 S   CA   _C7_    54     1.40709   118.87442   -75.89131
   50    49 S   HA   _H24    55     1.08749   120.24277    -0.52526
   51    46 S   CM   _C15    66     1.33963   124.23117   121.87123
   52    51 S   HC   _H27    67     1.08486   120.52711  -179.62832
   53    51 S   HC   _H28    68     1.08424   121.74005     0.60458
   54    33 S   CO4  _C14    44     1.51970   107.94718    79.35563
   55    54 S   O    _O18    45     1.23131   121.55911   -82.08639
   56    48 S   OS   _O19    46     1.38044   121.49524  -176.42149
   57    49 S   CA   _C5_    56     1.39637   121.02490   179.50150
   58    57 S   HA   _H22    57     1.08611   119.93667   179.94065
   59    56 S   CT   _C18    47     1.42584   111.17085  -115.24971
   60    59 S   HC   _H31    48     1.09407   107.85393   172.50095
   61    59 S   HC   _H32    49     1.09577   111.12135    54.21811
   62    59 S   HC   _H33    50     1.09425   111.43975   -69.23936
   63    57 S   CA   _C4_    58     1.39187   120.02465    -0.19180
   64    63 S   HA   _H21    59     1.08590   120.11486  -179.87333
   65    63 S   CA   _C6_    60     1.39247   119.80471    -0.12033
   66    65 S   HA   _H23    61     1.08629   119.98038  -179.57896
   67    45 S   CA   _C8_    62     1.40375   123.03525   103.07842
   68    67 S   HA   _H25    63     1.08658   120.96375    -0.06256
  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   8   5   4   3
  13   6   2   1   1  15  10   4  15   6   6   3  12   6   3   7
   8   4   2   1   1   3   1   4   6   3   3   2   1   1   5   3
   3   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    54    55    56    41    42    45    46  
   38    39    48    54    55    41  
   36    37  
   37  
    0  
   39    40    43    44    48    54    55    41    42    45    49    67    46    47    51  
   40    43    44    48    54    56    41    42    45    46  
   43    44    48    41  
   42    45    49    50    57    65    67    68    46    47    51    52    53    43    54  
   45    49    67    46    47    51  
   44    48    54    55    56    59  
   48    54    56  
   49    50    57    58    63    65    66    67    68    46    47    51  
   47    51    52    53    49    67  
   51    52    53  
   54    55    56    59    60    61    62  
   50    57    58    63    64    65    67    68  
   57    58    63    67  
   52    53  
   53  
    0  
   55    56    59  
   56  
   59    60    61    62  
   58    63    64    65    66    67  
   63    64    65  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67    68  
   67    68  
   68  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.716200   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    54   317.000  1.522
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    54   320.000  1.462
   48    56   440.000  1.360
   54    55   570.000  1.229
   56    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    42   340.000  1.090
   41    45   317.000  1.510
   41    46   317.000  1.510
   45    49   469.000  1.400
   45    67   469.000  1.400
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   46    47   340.000  1.080
   46    51   549.000  1.340
   51    52   340.000  1.080
   51    53   340.000  1.080
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  112.20000
   29    33    54    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    54    48    65.00000  118.62400
   33    54    55    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    45    70.00000  112.99600
   38    41    46    70.00000  110.12100
   39    43    44    40.00000  120.50800
   39    43    48    70.00000  117.34000
   43    39    40    65.00000  137.10300
   43    48    54    65.00000  118.96000
   43    48    56    80.00000  120.01400
   48    43    44    35.00000  120.00000
   48    54    55    80.00000  123.72100
   48    56    59    90.00000  111.18400
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  109.06800
   56    48    54    85.00000  116.28000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    45    49    70.00000  120.00000
   41    45    67    70.00000  120.00000
   41    46    47    35.00000  117.00000
   41    46    51    70.00000  124.00000
   45    41    42    35.00000  109.50000
   45    49    50    35.00000  120.00000
   45    49    57    63.00000  120.00000
   45    67    65    63.00000  120.00000
   45    67    68    35.00000  120.00000
   49    57    58    35.00000  120.00000
   49    57    63    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    65    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   67    45    49    63.00000  120.00000
   67    65    66    35.00000  120.00000
   46    41    42    35.00000  109.50000
   46    41    45    70.00000  112.99600
   46    51    52    35.00000  120.00000
   46    51    53    35.00000  120.00000
   51    46    47    35.00000  120.00000
   53    51    52    35.00000  117.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    54    48   0.65300  1.0 1.0
   29    33    54    48  -0.03850 -1.0 2.0
   29    33    54    48   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    45   0.09700  1.0 1.0
   33    38    41    45   0.15600 -1.0 2.0
   33    38    41    45  -0.50800  1.0 3.0
   33    38    41    46   0.09700  1.0 1.0
   33    38    41    46   0.15600 -1.0 2.0
   33    38    41    46  -0.50800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    54    48   0.00000  1.0 1.0
   34    33    54    55   0.00000  1.0 1.0
   38    33    54    48   0.65300  1.0 1.0
   38    33    54    48  -0.03850 -1.0 2.0
   38    33    54    48   0.33900  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    48   7.00000 -1.0 2.0
   38    41    45    49   0.18050 -1.0 2.0
   38    41    45    67   0.18050 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    51  -0.28300  1.0 1.0
   38    41    46    51   0.26700 -1.0 2.0
   38    41    46    51  -0.63300  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   1.44450  1.0 1.0
   39    38    41    45   0.06600 -1.0 2.0
   39    38    41    45   0.29250  1.0 3.0
   39    38    41    46  -0.28300  1.0 1.0
   39    38    41    46   0.26700 -1.0 2.0
   39    38    41    46  -0.63300  1.0 3.0
   39    43    48    54   7.00000 -1.0 2.0
   39    43    48    56   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    48   7.00000 -1.0 2.0
   43    48   -54    33  -0.33500  1.0 1.0
   43    48   -54    33   1.06600 -1.0 2.0
   43    48   -54    33  -0.14000  1.0 3.0
   43    48    54    55   1.00000 -1.0 2.0
   43    48    56    59  -2.26850  1.0 1.0
   43    48    56    59   3.39050 -1.0 2.0
   44    43    48    54   7.00000 -1.0 2.0
   44    43    48    56   7.00000 -1.0 2.0
   48    56    59    60   0.08050  1.0 3.0
   48    56    59    61   0.08050  1.0 3.0
   48    56    59    62   0.08050  1.0 3.0
   54    33   -38    39  -0.51250  1.0 1.0
   54    33   -38    39  -0.88800 -1.0 2.0
   54    33   -38    39   0.08850  1.0 3.0
   54    33    38    41   0.17250  1.0 1.0
   54    33    38    41  -0.04100 -1.0 2.0
   54    33    38    41  -0.33850  1.0 3.0
   54    48    56    59   0.15100 -1.0 2.0
   56    48    54    33   0.32450 -1.0 2.0
   56    48    54    33   0.17400  1.0 3.0
   56    48    54    55  -0.11900  1.0 1.0
   56    48    54    55   0.76850 -1.0 2.0
   56    48    54    55   0.14100  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45    49    57   3.62500 -1.0 2.0
   41    45    67    65   3.62500 -1.0 2.0
   41    45    67    68   3.62500 -1.0 2.0
   41    46    51    52   7.00000 -1.0 2.0
   41    46    51    53   7.00000 -1.0 2.0
   42    41    45    49   0.00000  1.0 1.0
   42    41    45    67   0.00000  1.0 1.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    51   0.00000  1.0 1.0
   45    41    46    47   0.00000  1.0 1.0
   45    41    46    51   1.44450  1.0 1.0
   45    41    46    51   0.06600 -1.0 2.0
   45    41    46    51   0.29250  1.0 3.0
   45    49    57    58   3.62500 -1.0 2.0
   45    49    57    63   3.62500 -1.0 2.0
   49    45    67    65   3.62500 -1.0 2.0
   49    45    67    68   3.62500 -1.0 2.0
   49    57    63    64   3.62500 -1.0 2.0
   49    57   -63    65   3.62500 -1.0 2.0
   50    49    57    58   3.62500 -1.0 2.0
   50    49    57    63   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    67   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   63    65   -67    45   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   66    65    67    45   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    45    49    50   3.62500 -1.0 2.0
   67    45   -49    57   3.62500 -1.0 2.0
   46    41    45    49   0.18050 -1.0 2.0
   46    41    45    67   0.18050 -1.0 2.0
   47    46    51    52   7.00000 -1.0 2.0
   47    46    51    53   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    44    43    48   1.10000 -1.0 2.0
   54    56    48    43   1.10000 -1.0 2.0
   33    48    54    55  10.50000 -1.0 2.0
   49    67    45    41   4.00000 -1.0 2.0
   57    50    49    45   1.10000 -1.0 2.0
   63    58    57    49   1.10000 -1.0 2.0
   65    64    63    57   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    45   1.10000 -1.0 2.0
   41    47    46    51  15.00000 -1.0 2.0
   52    53    51    46  15.00000 -1.0 2.0
END
