* LIGAND DATABASE FILE (OPLS2005)
*
001      74    78    144    232     419
    1     0 S   NP   _N1_     1    28.74280    95.70718   -20.97067
    2     1 S   H    _HN1     2     1.02960    83.99102    22.33048
    3     1 S   H    _H1_     3     1.02837    37.24404   150.99461
    4     1 S   H    _H2_     4     1.02779    88.56293   -86.26925
    5     1 S   CT   _CA1     5     1.50108   147.72410   141.67380
    6     5 S   HC   _HA1     6     1.09567   105.25345    65.21728
    7     5 S   CO3  _C1_     7     1.53772   112.42038   -55.08631
    8     7 S   O2Z  _O11     8     1.26362   115.00205   -42.55435
    9     7 S   O2Z  _O12     9     1.26235   114.97599   136.80351
   10     5 S   CT   _CB1    10     1.53104   107.44491  -176.74731
   11    10 S   HC   HB11    11     1.09823   109.41242   -49.83990
   12    10 S   HC   HB12    12     1.09822   110.37821    66.74675
   13    10 S   CT   _CG1    13     1.53003   112.67196  -170.90824
   14    13 S   HC   HG11    14     1.09568   110.47042   -62.96894
   15    13 S   HC   HG12    15     1.09648   109.99068    56.25901
   16    13 S   C    _CD1    16     1.51805   112.32176   176.66599
   17    16 S   O    _OE1    17     1.22713   123.25725    -2.24533
   18    16 S   N    _N2_    18     1.38617   111.60085   177.84314
   19    18 S   H    _HN2    19     1.01577   119.02702     1.66894
   20    18 S   CT1  _CA2    20     1.46274   123.44658  -179.05996
   21    20 S   HC   _HA2    21     1.09730   109.42709    -7.43962
   22    20 S   C    _C2_    22     1.53444   108.37243  -123.12389
   23    22 S   O    _O2_    23     1.23015   122.23384  -145.68183
   24    20 S   CT   _CB2    32     1.53404   111.32353   114.57369
   25    24 S   HC   HB21    33     1.09586   109.66412    55.77288
   26    24 S   HC   HB22    34     1.09474   110.42241   174.80631
   27    22 S   N    _N3_    24     1.38505   113.40966    41.63410
   28    27 S   H    _HN3    25     1.01517   118.91816    -0.75847
   29    24 S   S    _SG2    35     1.82814   111.45037   -65.14603
   30    27 S   CT   _CA3    26     1.45469   123.60453   175.22267
   31    30 S   HC   HA31    27     1.09513   109.44522    20.20393
   32    30 S   HC   HA32    28     1.09503   107.06870   137.23717
   33    29 S   CT   _C20    36     1.85100    99.81899   166.31968
   34    33 S   HC   _H4_    37     1.09707   106.54434   -36.18710
   35    30 S   CO3  _C3_    29     1.52915   112.96973  -103.41881
   36    35 S   O2Z  _O31    30     1.26417   115.34637   -45.68059
   37    35 S   O2Z  _O32    31     1.26348   115.01842   135.21235
   38    33 S   CM   _C19    38     1.51331   106.54056    78.89519
   39    38 S   HC   _H17    39     1.08880   116.79120   -77.37298
   40    38 S   CMA  _C18    40     1.34911   124.22757   102.51944
   41    40 S   OM   _O33    41     1.25928   130.86282  -179.18988
   42    40 S   CM   _C17    42     1.46106   117.71593    -0.00000
   43    42 S   HC   _H16    43     1.08883   119.25562  -167.77121
   44    42 S   CM   _C16    44     1.34337   122.54070    14.36409
   45    44 S   HC   _H15    45     1.08670   118.49513   177.17894
   46    33 S   CT   _C15    46     1.57397   114.05705  -156.15145
   47    46 S   CA   _C11    47     1.52472   108.79490   145.24009
   48    46 S   CT   _C14    68     1.57990   115.29620    36.86980
   49    48 S   HC   _H13    69     1.09313   114.43824   -46.98969
   50    48 S   HC   _H14    70     1.10258   109.73581  -165.07370
   51    47 S   CR3  _C12    48     1.39964   110.24952   -98.84550
   52    51 S   CA   _C7_    49     1.39475   123.92122  -176.26566
   53    52 S   CA   _C8_    50     1.39574   117.93695    -3.06669
   54    53 S   HA   _H12    51     1.08455   121.26971   179.20722
   55    52 S   CT   _C6_    59     1.50376   118.17351   171.38090
   56    55 S   HC   _H10    60     1.09599   109.83121   134.65380
   57    55 S   HC   _H11    61     1.09741   107.69201  -108.05374
   58    53 S   CA   _C9_    52     1.39138   117.92047     0.48618
   59    55 S   CT   _C5_    62     1.54884   113.53410    12.17657
   60    59 S   HC   _H8_    63     1.09914   109.07583    82.07264
   61    59 S   HC   _H9_    64     1.09719   107.81207  -162.31007
   62    47 S   CA   _C10    53     1.37068   132.84662    81.19178
   63    59 S   NT   _N4_    65     1.48254   112.79787   -40.45832
   64    62 S   OS   _O34    54     1.35637   127.58727    -1.15454
   65    51 S   CT   _C13    66     1.49884   112.03057     2.68897
   66    65 S   HC   _H3_    67     1.09931   108.51914    88.52683
   67    63 S   CT   _C4_    71     1.46295   110.28903  -174.91130
   68    67 S   HC   _H5_    72     1.09506   110.90819   177.47540
   69    67 S   HC   _H6_    73     1.09564   110.43071    59.70977
   70    67 S   HC   _H7_    74     1.09564   112.12463   -61.17579
   71    64 S   CO   _C21    55     1.43963   101.33275   179.87646
   72    71 S   HC   _H18    56     1.09600   108.68110  -121.71504
   73    71 S   HC   _H19    57     1.09610   108.71342   120.15078
   74    58 S   OS   _O35    58     1.36405   124.92770   179.95154
  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
  16   7   2   1   1   9   4   6   3   6   3   9   3  12  15  10
   5   4  14  14  11   4   9   5   4   6   9   4   3   6   6   4
   5   1   3   2   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    51    62    65    48    49    50  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    48  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    51    62    65    48    49    50  
   46    47    48  
   47    51    52    58    62    64    63    65    66    48    49    50  
   51    52    53    58    62    64    71    74    55    63    65    66    48    49    50  
   49    50    67    51    52    59    62    63    65    66  
   50    51    63    65    66  
   51    63    65    66  
   52    53    54    58    62    64    55    56    57    59    63    65    66    67  
   53    54    58    62    74    55    56    57    59    60    61    63    65    66  
   54    58    62    64    71    74    55    56    57    59    65  
   58    62    74    55  
   56    57    59    60    61    63    65    67    58  
   57    59    60    61    63  
   59    60    61    63  
   62    64    71    72    73    74  
   60    61    63    65    66    67    68    69    70  
   61    63    65    67  
   63    65    67  
   64    71    72    73    74    65  
   65    66    67    68    69    70  
   71    72    73    74  
   66    67    68    69    70  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   317.000  1.510
   46    48   268.000  1.529
   47    51   490.000  1.398
   47    62   469.000  1.400
   51    52   490.000  1.398
   51    65   317.000  1.510
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    74   450.000  1.364
   62    64   450.000  1.364
   64    71   320.000  1.380
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   320.000  1.380
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   382.000  1.448
   63    65   382.000  1.448
   63    67   382.000  1.448
   65    66   340.000  1.090
   65    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    70.00000  112.17500
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.99600
   44    46    48    70.00000  112.02700
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    51    80.00000  105.07000
   46    47    62    70.00000  120.00000
   46    48    65    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   47    51    52    60.00000  130.80000
   47    51    65    70.00000  120.00000
   47    62    58    63.00000  120.00000
   47    62    64    70.00000  120.00000
   51    52    53    70.00000  112.88000
   51    52    55    80.00000  105.07000
   51    65    63    75.00000  112.33000
   51    65    66    35.00000  109.50000
   51    65    48    70.00000  112.17500
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.17500
   53    58    62    63.00000  120.00000
   53    58    74    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    64    70.00000  120.00000
   58    74    71   100.00000  112.36700
   62    47    51    70.00000  112.88000
   62    64    71   100.00000  112.36700
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    92.60000  111.55000
   73    71    72    33.00000  109.50000
   74    58    62    70.00000  120.00000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   55    52    53    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    63    56.20000  109.47000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    65    51.80000  107.20000
   59    63    67    51.80000  107.20000
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   63    65    66    35.00000  109.50000
   63    65    48    56.20000  109.47000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   65    51    52    70.00000  120.00000
   65    48    49    37.50000  110.70000
   65    48    50    37.50000  110.70000
   48    46    47    70.00000  112.17500
   48    65    66    37.50000  110.70000
   50    48    49    33.00000  107.80000
   67    63    65    51.80000  107.20000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    51   0.04150 -1.0 2.0
   33    46    47    62   0.04150 -1.0 2.0
   33    46    48    65   0.56750  1.0 1.0
   33    46    48    65  -0.07550 -1.0 2.0
   33    46    48    65   0.20000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.43200  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.21200  1.0 1.0
   38    33    46    47   0.16900 -1.0 2.0
   38    33    46    47  -1.15100  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   1.44450  1.0 1.0
   42    44    46    47   0.06600 -1.0 2.0
   42    44    46    47   0.29250  1.0 3.0
   42    44    46    48   0.09850  1.0 1.0
   42    44    46    48   0.15250 -1.0 2.0
   42    44    46    48  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    51   0.18050 -1.0 2.0
   44    46    47    62   0.18050 -1.0 2.0
   44    46    48    65   0.34400  1.0 1.0
   44    46    48    65   0.09450 -1.0 2.0
   44    46    48    65   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    65   3.62500 -1.0 2.0
   46    47    62    58   3.62500 -1.0 2.0
   46    47    62    64   3.62500 -1.0 2.0
   47    46   -48    65  -0.03700  1.0 1.0
   47    46   -48    65   0.37200 -1.0 2.0
   47    46   -48    65  -0.47300  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    65    63   0.18550 -1.0 2.0
   47    51    65    63   0.14000  1.0 3.0
   47    51    65    66   0.00000  1.0 1.0
   47    51   -65    48   0.04150 -1.0 2.0
   47    62    64    71   1.63200 -1.0 2.0
   51    47    62    58   3.62500 -1.0 2.0
   51    47    62    64   3.62500 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52   -53    58   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    59   0.04150 -1.0 2.0
   51    65   -48    46  -0.03700  1.0 1.0
   51    65   -48    46   0.37200 -1.0 2.0
   51    65   -48    46  -0.47300  1.0 3.0
   51    65    48    49   0.43200  1.0 3.0
   51    65    48    50   0.43200  1.0 3.0
   52    51    65    63   0.18550 -1.0 2.0
   52    51    65    63   0.14000  1.0 3.0
   52    51    65    66   0.00000  1.0 1.0
   52    51    65    48   0.04150 -1.0 2.0
   52    53    58    62   3.62500 -1.0 2.0
   52    53    58    74   3.62500 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55   -59    63   0.83750  1.0 1.0
   52    55   -59    63   0.32200 -1.0 2.0
   52    55   -59    63   0.70600  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    59   0.04150 -1.0 2.0
   53    58   -62    47   3.62500 -1.0 2.0
   53    58    62    64   3.62500 -1.0 2.0
   53    58    74    71   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    74   3.62500 -1.0 2.0
   58    62   -64    71   1.63200 -1.0 2.0
   62    47   -51    52   3.62500 -1.0 2.0
   62    47    51    65   3.62500 -1.0 2.0
   62    58   -74    71   1.63200 -1.0 2.0
   62    64    71    72   0.08050  1.0 3.0
   62    64    71    73   0.08050  1.0 3.0
   62    64   -71    74  -0.25600  1.0 1.0
   62    64   -71    74  -0.40050 -1.0 2.0
   62    64   -71    74   0.34700  1.0 3.0
   64    71   -74    58  -0.25600  1.0 1.0
   64    71   -74    58  -0.40050 -1.0 2.0
   64    71   -74    58   0.34700  1.0 3.0
   72    71    74    58   0.08050  1.0 3.0
   73    71    74    58   0.08050  1.0 3.0
   74    58    62    47   3.62500 -1.0 2.0
   74    58   -62    64   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    59    63    65   0.23450  1.0 1.0
   55    59    63    65   0.02050 -1.0 2.0
   55    59    63    65   0.25250  1.0 3.0
   55    59    63    67   0.58650  1.0 1.0
   55    59    63    67   0.12600 -1.0 2.0
   55    59    63    67   0.33350  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   59    63   -65    51   0.82600  1.0 1.0
   59    63   -65    51  -0.32100 -1.0 2.0
   59    63   -65    51   1.02000  1.0 3.0
   59    63    65    66   0.28000  1.0 3.0
   59    63    65    48   0.23450  1.0 1.0
   59    63    65    48   0.02050 -1.0 2.0
   59    63    65    48   0.25250  1.0 3.0
   59    63    67    68   0.28000  1.0 3.0
   59    63    67    69   0.28000  1.0 3.0
   59    63    67    70   0.28000  1.0 3.0
   60    59    63    65   0.28000  1.0 3.0
   60    59    63    67   0.28000  1.0 3.0
   61    59    63    65   0.28000  1.0 3.0
   61    59    63    67   0.28000  1.0 3.0
   63    65    48    46   1.53400  1.0 1.0
   63    65    48    46  -0.09950 -1.0 2.0
   63    65    48    46   0.05700  1.0 3.0
   63    65    48    49   0.15000  1.0 3.0
   63    65    48    50   0.15000  1.0 3.0
   65    51    52    53   3.62500 -1.0 2.0
   65    51   -52    55   3.62500 -1.0 2.0
   65    63    67    68   0.28000  1.0 3.0
   65    63    67    69   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   66    65    48    46   0.15000  1.0 3.0
   66    65    48    49   0.15000  1.0 3.0
   66    65    48    50   0.15000  1.0 3.0
   48    46   -47    51   0.04150 -1.0 2.0
   48    46    47    62   0.04150 -1.0 2.0
   67    63    65    51   0.82600  1.0 1.0
   67    63    65    51  -0.32100 -1.0 2.0
   67    63    65    51   1.02000  1.0 3.0
   67    63    65    66   0.28000  1.0 3.0
   67    63    65    48   0.58650  1.0 1.0
   67    63    65    48   0.12600 -1.0 2.0
   67    63    65    48   0.33350  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   51    62    47    46   4.00000 -1.0 2.0
   52    65    51    47   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   62    74    58    53   4.00000 -1.0 2.0
   58    64    62    47   4.00000 -1.0 2.0
END
