* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    118    185     348
    1     0 S   NP   _N1_     1    28.40909    96.00468   -20.14466
    2     1 S   H    _HN1     2     1.02787    85.50007  -114.06423
    3     1 S   H    _H1_     3     1.02956    83.44423    -5.09270
    4     1 S   H    _H2_     4     1.02842    40.31004   121.38182
    5     1 S   CT   _CA1     5     1.50111   151.03375   116.25054
    6     5 S   HC   _HA1     6     1.09579   105.26869    63.01706
    7     5 S   CO3  _C1_     7     1.53946   112.04125   -57.07212
    8     7 S   O2Z  _O11     8     1.26337   115.10556   -51.93588
    9     7 S   O2Z  _O12     9     1.26305   115.08914   127.25884
   10     5 S   CT   _CB1    10     1.53223   107.34124  -179.26193
   11    10 S   HC   HB11    11     1.09811   109.64878   -50.61725
   12    10 S   HC   HB12    12     1.09808   110.39386    66.08544
   13    10 S   CT   _CG1    13     1.52885   112.33386  -171.63930
   14    13 S   HC   HG11    14     1.09218   109.98944   -58.55237
   15    13 S   HC   HG12    15     1.09631   110.10299    60.30057
   16    13 S   C    _CD1    16     1.51757   112.73261  -178.92662
   17    16 S   O    _OE1    17     1.22739   123.23858    -8.51022
   18    16 S   N    _N2_    18     1.38632   111.70329   172.19073
   19    18 S   H    _HN2    19     1.01596   118.92484     3.99552
   20    18 S   CT1  _CA2    20     1.45781   122.87931   176.67693
   21    20 S   HC   _HA2    21     1.09715   108.95621    24.87095
   22    20 S   C    _C2_    22     1.52933   106.79249   -92.15191
   23    22 S   O    _O2_    23     1.22976   123.02343   -28.20130
   24    20 S   CT   _CB2    32     1.53154   112.33745   148.34349
   25    24 S   HC   HB21    33     1.09515   110.35422    53.94611
   26    24 S   HC   HB22    34     1.09552   110.34819   171.65451
   27    22 S   N    _N3_    24     1.38480   112.55783   154.65864
   28    27 S   H    _HN3    25     1.01651   120.38171    -2.34644
   29    24 S   S    _SG2    35     1.82907   111.61224   -69.70918
   30    27 S   CT   _CA3    26     1.45356   122.49536   178.55166
   31    30 S   HC   HA31    27     1.09566   107.81357   -55.79545
   32    30 S   HC   HA32    28     1.09561   107.61748    60.55159
   33    29 S   CT   _C10    36     1.84288   100.10125   128.63670
   34    33 S   HC   _H3_    37     1.09682   106.25101    43.81647
   35    30 S   CO3  _C3_    29     1.52892   114.29024  -177.70288
   36    35 S   O2Z  _O31    30     1.26339   116.04350    -0.26761
   37    35 S   O2Z  _O32    31     1.26432   114.41769   179.70261
   38    33 S   CA   _C9_    38     1.51899   111.35401   -75.68081
   39    33 S   CT   _C11    50     1.53793   108.87648   159.95667
   40    39 S   HC   _H8_    51     1.09726   111.21503   -50.77052
   41    39 S   HC   _H9_    52     1.09596   111.43318    68.85378
   42    38 S   CA   _C4_    39     1.40419   119.72636   119.36871
   43    42 S   HA   _H4_    40     1.08754   120.38850     0.42567
   44    39 S   CO4  _C12    53     1.52239   111.59786  -168.89883
   45    44 S   O    _O33    54     1.23213   121.62820    42.20404
   46    42 S   CA   _C5_    41     1.39590   120.77280  -179.28728
   47    46 S   HA   _H5_    42     1.08619   119.87708   179.38770
   48    44 S   CT   _C13    55     1.51585   117.42956  -137.97305
   49    48 S   HC   _H10    56     1.09539   109.06462   -36.40687
   50    48 S   HC   _H11    57     1.09570   108.76097  -152.47667
   51    46 S   CA   _C6_    43     1.39019   119.62873     0.08156
   52    48 S   CM   _C14    58     1.49491   109.12275    87.09188
   53    51 S   CA   _C7_    44     1.39082   120.67906    -1.34538
   54    53 S   HA   _H6_    45     1.08621   120.94491  -179.18723
   55    51 S   OH   _O37    48     1.36580   118.38637   178.15974
   56    55 S   HO   _H15    49     0.97665   108.46068  -164.49664
   57    52 S   CM   _C15    59     1.33916   124.04266  -114.27430
   58    57 S   HC   _H12    60     1.08443   121.79361     0.26541
   59    38 S   CA   _C8_    46     1.40517   121.77590   -60.98598
   60    59 S   HA   _H7_    47     1.08737   120.64983    -0.13562
   61    57 S   CM   _C16    61     1.43330   119.15958   179.54889
   62    61 S   CM   _C17    62     1.33712   121.23319     0.22642
   63    62 S   HC   _H13    63     1.08331   122.42468  -179.53775
   64    61 S   OH   _O36    67     1.37391   115.03692  -179.21565
   65    64 S   HO   _H14    68     0.97283   108.25120   178.75040
   66    62 S   CO4  _C18    64     1.47604   120.06010     0.17914
   67    66 S   O    _O34    65     1.22650   120.59954   179.82529
   68    52 S   OS   _O35    66     1.41855   114.77674    66.11244
  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   9   5   4   3
  14   7   2   1   1  13  10   4   3   8   4   7   4   7   3   8
   4   3   6   8   5   3   2   1   8   4   1   1   7   6   4   2
   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    51    53    54    59    60    39    40    41    44  
   40    41    44    45    48    49    50    52    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    51    53    59    60    55  
   46    47    51    59  
   45    48    49    50    52    57    68  
   48    49    50    52  
   47    51    53    54    59    55    56  
   51    53    55  
   49    50    52    57    58    61    66    68  
   50    52    57    68  
   52    57    68  
   53    54    59    60    55    56  
   57    58    61    62    66    67    68    64  
   54    59    60    55    56  
   59    60    55  
   56    59  
    0  
   58    61    62    63    66    68    64    65  
   61    62    68    64  
   60  
    0  
   62    63    66    67    68    64    65  
   63    66    67    68    64    65  
   66    67    68    64  
   65    66  
    0  
   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
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    39   268.000  1.529
   38    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    53   469.000  1.400
   51    55   450.000  1.364
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   55    56   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    57   549.000  1.340
   52    68   440.000  1.360
   57    58   340.000  1.080
   57    61   380.000  1.444
   61    62   549.000  1.340
   61    64   510.000  1.338
   62    63   340.000  1.080
   62    66   320.000  1.462
   66    67   570.000  1.229
   66    68   214.000  1.327
   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    53    63.00000  120.00000
   38    59    60    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    51    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    51    53    63.00000  120.00000
   46    51    55    70.00000  120.00000
   51    46    47    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    59    63.00000  120.00000
   51    55    56    35.00000  113.00000
   53    59    60    35.00000  120.00000
   59    38    42    63.00000  120.00000
   59    53    54    35.00000  120.00000
   55    51    53    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    70.00000  109.06800
   48    44    45    80.00000  120.40000
   48    52    57    70.00000  124.00000
   48    52    68    85.00000  112.85300
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    57    58    35.00000  120.00000
   52    57    61    70.00000  123.01800
   52    68    66    90.00000  114.22900
   57    61    62    70.00000  123.01800
   57    61    64    80.00000  121.38400
   61    57    58    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    65.00000  118.96000
   61    64    65    70.00000  107.45700
   62    66    67    80.00000  123.72100
   62    66    68    90.00000  111.29400
   66    62    63    40.00000  117.72500
   68    52    57    80.00000  120.01400
   68    66    67    83.00000  123.40000
   64    61    62    80.00000  121.38400
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    53   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.60050  1.0 1.0
   33    39    44    48   0.05600 -1.0 2.0
   33    39    44    48   0.26150  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    51   3.62500 -1.0 2.0
   42    38    59    53   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46   -51    53   3.62500 -1.0 2.0
   42    46    51    55   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    51   3.62500 -1.0 2.0
   46    51    53    54   3.62500 -1.0 2.0
   46    51    53    59   3.62500 -1.0 2.0
   46    51    55    56   0.84100 -1.0 2.0
   47    46    51    53   3.62500 -1.0 2.0
   47    46    51    55   3.62500 -1.0 2.0
   51    53   -59    38   3.62500 -1.0 2.0
   51    53    59    60   3.62500 -1.0 2.0
   53    51    55    56   0.84100 -1.0 2.0
   54    53    59    38   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   55    51    53    54   3.62500 -1.0 2.0
   55    51    53    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    50   0.00000  1.0 1.0
   39    44    48    52   0.65300  1.0 1.0
   39    44    48    52  -0.03850 -1.0 2.0
   39    44    48    52   0.33900  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    52    57  -0.51250  1.0 1.0
   44    48    52    57  -0.88800 -1.0 2.0
   44    48    52    57   0.08850  1.0 3.0
   44    48    52    68   0.09700  1.0 1.0
   44    48    52    68   0.15600 -1.0 2.0
   44    48    52    68  -0.50800  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    57    58   7.00000 -1.0 2.0
   48    52    57    61   7.00000 -1.0 2.0
   48    52    68    66   2.00000 -1.0 2.0
   49    48    52    57   0.00000  1.0 1.0
   49    48    52    68   0.00000  1.0 1.0
   50    48    52    57   0.00000  1.0 1.0
   50    48    52    68   0.00000  1.0 1.0
   52    57    61    62   0.28850  1.0 1.0
   52    57    61    62   2.61350 -1.0 2.0
   52    57    61    62   0.78400  1.0 3.0
   52    57    61    64   0.50950  1.0 1.0
   52    57    61    64   0.56650 -1.0 2.0
   52    57    61    64   0.34050  1.0 3.0
   57    52    68    66  -1.93650  1.0 1.0
   57    52    68    66   2.17750 -1.0 2.0
   57    52    68    66  -0.40250  1.0 3.0
   57    61    62    63   7.00000 -1.0 2.0
   57    61   -62    66   7.00000 -1.0 2.0
   57    61    64    65  -0.66100  1.0 1.0
   57    61    64    65   1.20850 -1.0 2.0
   57    61    64    65  -0.36000  1.0 3.0
   58    57    61    62  -0.18600  1.0 3.0
   58    57    61    64   0.00000  1.0 1.0
   61    62    66    67   1.00000 -1.0 2.0
   61    62    66    68  -0.56150  1.0 1.0
   61    62    66    68   2.19150 -1.0 2.0
   62    61    64    65  -0.66100  1.0 1.0
   62    61    64    65   1.20850 -1.0 2.0
   62    61    64    65  -0.36000  1.0 3.0
   62    66   -68    52   2.00000 -1.0 2.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   1.63100 -1.0 2.0
   67    66    68    52   3.00000 -1.0 2.0
   68    52    57    58   7.00000 -1.0 2.0
   68    52   -57    61   7.00000 -1.0 2.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    66   7.00000 -1.0 2.0
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
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   51    47    46    42   1.10000 -1.0 2.0
   53    55    51    46   4.00000 -1.0 2.0
   59    54    53    51   1.10000 -1.0 2.0
   53    60    59    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   48    68    52    57   1.10000 -1.0 2.0
   61    58    57    52   1.10000 -1.0 2.0
   57    64    61    62   1.10000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    68    66    67  10.50000 -1.0 2.0
END
