* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    126    211     374
    1     0 S   NP   _N1_     1    29.13322    95.77274   -23.44683
    2     1 S   H    _HN1     2     1.02948    77.86162    10.27667
    3     1 S   H    _H1_     3     1.02838    32.99902   162.70959
    4     1 S   H    _H2_     4     1.02790   103.85687   -95.81463
    5     1 S   CT   _CA1     5     1.50082   137.16568   117.47777
    6     5 S   HC   _HA1     6     1.09586   105.23943    84.02443
    7     5 S   CO3  _C1_     7     1.53769   112.04394   -36.05948
    8     7 S   O2Z  _O11     8     1.26332   115.07845   -54.44485
    9     7 S   O2Z  _O12     9     1.26215   114.88056   124.45880
   10     5 S   CT   _CB1    10     1.53067   107.37771  -158.33388
   11    10 S   HC   HB11    11     1.09832   109.36565   -51.59302
   12    10 S   HC   HB12    12     1.09809   110.54745    64.97860
   13    10 S   CT   _CG1    13     1.52953   112.49663  -172.58556
   14    13 S   HC   HG11    14     1.09571   110.52151   -63.68008
   15    13 S   HC   HG12    15     1.09657   109.91787    55.51929
   16    13 S   C    _CD1    16     1.51787   112.16743   175.96672
   17    16 S   O    _OE1    17     1.22725   123.31963     2.97677
   18    16 S   N    _N2_    18     1.38562   111.66293  -177.18172
   19    18 S   H    _HN2    19     1.01652   118.97872     0.81805
   20    18 S   CT1  _CA2    20     1.46107   123.53861   179.32334
   21    20 S   HC   _HA2    21     1.09731   109.31654     0.85363
   22    20 S   C    _C2_    22     1.53448   108.74267  -114.77133
   23    22 S   O    _O2_    23     1.23058   122.24095  -147.96081
   24    20 S   CT   _CB2    32     1.53335   111.49448   122.68630
   25    24 S   HC   HB21    33     1.09499   110.43637    60.12768
   26    24 S   HC   HB22    34     1.09550   110.19777   177.86788
   27    22 S   N    _N3_    24     1.38325   113.69295    39.54223
   28    27 S   H    _HN3    25     1.01600   119.58716    -3.63997
   29    24 S   S    _SG2    35     1.82962   111.62482   -63.60599
   30    27 S   CT   _CA3    26     1.45293   123.14509   176.96688
   31    30 S   HC   HA31    27     1.09552   107.54436   -63.30452
   32    30 S   HC   HA32    28     1.09557   107.92700    53.10453
   33    29 S   CT   _C22    36     1.82629   100.47175   128.54460
   34    33 S   HC   _H3_    37     1.09615   110.95538    39.44402
   35    30 S   CO3  _C3_    29     1.52946   114.13178   175.06338
   36    35 S   O2Z  _O31    30     1.26367   116.06973    -1.00444
   37    35 S   O2Z  _O32    31     1.26432   114.41309   179.05188
   38    33 S   CO4  _C23    38     1.51191   109.51845   -79.69306
   39    38 S   O    _O35    39     1.23363   119.95597    70.51157
   40    38 S   CM   _C18    40     1.50665   120.22610  -109.95274
   41    40 S   CM   _C19    41     1.35229   121.09192     1.34581
   42    41 S   CM   _C14    42     1.47235   119.79833   179.64502
   43    41 S   CO4  _C20    68     1.48388   119.84732     7.09821
   44    43 S   O    _O37    69     1.22174   124.30919   152.42772
   45    42 S   CO4  _C15    43     1.50281   113.24783   -32.74651
   46    45 S   O    _O39    44     1.22241   124.48341  -137.26287
   47    42 S   CM   _C12    50     1.35486   127.05677   144.72314
   48    33 S   CO4  _C21    70     1.49290   106.86287   155.28943
   49    48 S   O    _O36    71     1.22242   125.11792   -84.79190
   50    45 S   CM   _C16    45     1.48108   113.52375    42.21769
   51    50 S   HC   _H6_    46     1.08336   118.29321   156.14799
   52    47 S   CO4  _C13    51     1.49547   121.94667    -3.38084
   53    52 S   O    _O34    52     1.22510   122.51311   -34.43824
   54    40 S   CM   _C17    47     1.47209   120.23072   177.38461
   55    52 S   CA   _C8_    53     1.48352   116.64740   147.91928
   56    54 S   OH   _O38    48     1.38213   119.25670    17.64399
   57    56 S   HO   _H7_    49     0.97231   109.43870    -2.14740
   58    55 S   CA   _C9_    54     1.39510   120.89211    15.23510
   59    58 S   CA   _C4_    55     1.40755   120.44659  -179.15443
   60    59 S   HA   _H4_    56     1.09211   118.82584  -179.87489
   61    58 S   CO4  _C10    64     1.47570   120.98155     2.02429
   62    61 S   O    _O33    65     1.22111   123.26961  -177.77595
   63    59 S   CA   _C5_    57     1.41148   123.11019    -0.19483
   64    63 S   OM   _O42    58     1.27637   122.71406  -179.95577
   65    47 S   CO4  _C11    66     1.48562   122.71157  -178.33823
   66    65 S   O    _O40    67     1.21934   125.63664    40.24896
   67    63 S   CA   _C6_    59     1.41051   114.54430    -0.05595
   68    67 S   HA   _H5_    60     1.09191   118.86756   179.96574
   69    55 S   CA   _C7_    61     1.39623   120.98761  -164.28129
   70    69 S   OH   _O41    62     1.36981   123.51237    -0.09691
   71    70 S   HO   _H8_    63     0.97327   109.14188    -1.68481
  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
  10   6   2   1   1  10   4  12  13  15   6   2   8   4  10   1
   1   4   2  10   4   2  12   1   1  11   9   4   5   2   5   3
   1   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    54    43    44    48    49  
   38    39    40    43    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    54    56    43    48    49  
   40    41    54    48  
   41    42    45    50    51    54    56    57    47    43    44    48  
   42    45    46    50    54    56    47    52    65    43    44    48    49  
   45    46    50    51    54    47    52    53    55    61    65    66    43    44    48  
   44    48    49    45    47    54  
   48    49  
   46    50    51    54    56    47    52    65  
   50    51    54    47  
   52    53    55    58    69    61    62    65    66    50  
   49  
    0  
   51    54    56    57  
   54    56  
   53    55    58    59    67    69    70    61    65    66  
   55    58    69    65  
   56    57  
   58    59    60    63    67    68    69    70    71    61    62    65  
   57  
    0  
   59    60    63    64    67    69    70    61    62    65    66  
   60    63    64    67    68    69    61    62    65  
   63    64    67    61  
   62    65    66    63    69  
   65    66  
   64    67    68    69    70  
   67    68    69  
   66  
    0  
   68    69    70    71  
   69    70  
   70    71  
   71  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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  1.522
   33    48   317.000  1.522
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    54   380.000  1.444
   41    42   380.000  1.444
   41    43   320.000  1.462
   42    45   320.000  1.462
   42    47   549.000  1.340
   45    46   570.000  1.229
   45    50   320.000  1.462
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    56   510.000  1.338
   56    57   553.000  0.945
   47    52   320.000  1.462
   47    65   320.000  1.462
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    58   469.000  1.400
   55    69   469.000  1.400
   58    59   469.000  1.400
   58    61   310.000  1.470
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   450.000  1.364
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   450.000  1.364
   70    71   553.000  0.945
   61    62   570.000  1.229
   61    65   250.000  1.523
   65    66   570.000  1.229
   43    44   570.000  1.229
   43    48   250.000  1.523
   48    49   570.000  1.229
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  110.18000
   29    33    48    75.00000  110.18000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    65.00000  115.45000
   33    48    49    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    54    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    43    65.00000  118.96000
   40    54    50    70.00000  123.01800
   40    54    56    80.00000  121.38400
   41    42    45    65.00000  118.96000
   41    42    47    70.00000  123.01800
   41    43    44    80.00000  123.72100
   41    43    48    65.00000  116.00000
   42    45    46    80.00000  123.72100
   42    45    50    65.00000  118.65900
   42    47    52    65.00000  118.96000
   42    47    65    65.00000  118.96000
   45    50    51    40.00000  117.72500
   45    50    54    65.00000  118.96000
   50    45    46    80.00000  123.72100
   50    54    56    80.00000  121.38400
   54    40    41    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    56    57    70.00000  107.45700
   47    42    45    65.00000  118.96000
   47    52    53    80.00000  123.72100
   47    52    55    65.00000  117.02400
   47    65    61    65.00000  116.00000
   47    65    66    80.00000  123.72100
   52    55    58    60.00000  119.52600
   52    55    69    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    58    59    63.00000  120.00000
   55    58    61    60.00000  119.52600
   55    69    67    63.00000  120.00000
   55    69    70    70.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    63    63.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    65    60.00000  117.28700
   59    63    64    70.00000  120.00000
   59    63    67    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    69    63.00000  120.00000
   67    63    64    70.00000  120.00000
   67    69    70    70.00000  120.00000
   69    55    58    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  113.00000
   61    58    59    60.00000  119.52600
   61    65    66    80.00000  119.30300
   65    47    52    65.00000  115.30000
   65    61    62    80.00000  119.30300
   43    41    42    65.00000  118.96000
   43    48    49    80.00000  119.30300
   48    33    34    35.00000  109.50000
   48    33    38    75.00000  107.99600
   48    43    44    80.00000  119.30300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.65300  1.0 1.0
   29    33    48    43  -0.03850 -1.0 2.0
   29    33    48    43   0.33900  1.0 3.0
   29    33    48    49   0.30150 -1.0 2.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    54  -0.33500  1.0 1.0
   33    38    40    54   1.06600 -1.0 2.0
   33    38    40    54  -0.14000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.00000  1.0 1.0
   34    33    48    49   0.00000  1.0 1.0
   38    33    48    43   0.65300  1.0 1.0
   38    33    48    43  -0.03850 -1.0 2.0
   38    33    48    43   0.33900  1.0 3.0
   38    33    48    49   0.30150 -1.0 2.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    43   7.00000 -1.0 2.0
   38    40    54    50  -0.18600  1.0 3.0
   38    40    54    56   1.08500 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    54   1.00000 -1.0 2.0
   40    41    42    45  -0.18600  1.0 3.0
   40    41    42    47   0.28850  1.0 1.0
   40    41    42    47   2.61350 -1.0 2.0
   40    41    42    47   0.78400  1.0 3.0
   40    41    43    44   1.00000 -1.0 2.0
   40    41    43    48   0.50400  1.0 1.0
   40    41    43    48   1.60000 -1.0 2.0
   40    41    43    48  -0.01800  1.0 3.0
   40    54    56    57  -0.66100  1.0 1.0
   40    54    56    57   1.20850 -1.0 2.0
   40    54    56    57  -0.36000  1.0 3.0
   41    40    54    50   0.28850  1.0 1.0
   41    40    54    50   2.61350 -1.0 2.0
   41    40    54    50   0.78400  1.0 3.0
   41    40    54    56   0.50950  1.0 1.0
   41    40    54    56   0.56650 -1.0 2.0
   41    40    54    56   0.34050  1.0 3.0
   41    42    45    46   1.00000 -1.0 2.0
   41    42   -45    50  -1.18350  1.0 1.0
   41    42   -45    50   1.45950 -1.0 2.0
   41    42    47    52   7.00000 -1.0 2.0
   41    42    47    65   7.00000 -1.0 2.0
   41    43   -48    33   0.43900  1.0 1.0
   41    43   -48    33  -0.18150 -1.0 2.0
   41    43   -48    33  -0.03650  1.0 3.0
   41    43    48    49   0.03000  1.0 1.0
   41    43    48    49   0.58800 -1.0 2.0
   41    43    48    49   0.15550  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    48   0.50400  1.0 1.0
   42    41    43    48   1.60000 -1.0 2.0
   42    41    43    48  -0.01800  1.0 3.0
   42    45    50    51   0.93700 -1.0 2.0
   42    45    50    54  -1.18350  1.0 1.0
   42    45    50    54   1.45950 -1.0 2.0
   42    47    52    53   1.00000 -1.0 2.0
   42    47    52    55  -1.65800  1.0 1.0
   42    47    52    55   0.77650 -1.0 2.0
   42    47    65    61   0.50400  1.0 1.0
   42    47    65    61   1.60000 -1.0 2.0
   42    47    65    61  -0.01800  1.0 3.0
   42    47    65    66   1.00000 -1.0 2.0
   45    42    47    52   7.00000 -1.0 2.0
   45    42    47    65   7.00000 -1.0 2.0
   45    50   -54    40   7.00000 -1.0 2.0
   45    50    54    56   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    54   1.00000 -1.0 2.0
   50    54    56    57  -0.66100  1.0 1.0
   50    54    56    57   1.20850 -1.0 2.0
   50    54    56    57  -0.36000  1.0 3.0
   51    50    54    40   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    40   -41    42   7.00000 -1.0 2.0
   54    40    41    43   7.00000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
   47    42    45    50  -1.18350  1.0 1.0
   47    42    45    50   1.45950 -1.0 2.0
   47    52    55    58  -0.11500  1.0 1.0
   47    52    55    58   1.10450 -1.0 2.0
   47    52    55    58  -0.48050  1.0 3.0
   47    52    55    69  -0.11500  1.0 1.0
   47    52    55    69   1.10450 -1.0 2.0
   47    52    55    69  -0.48050  1.0 3.0
   52    47    65    61   1.50000 -1.0 2.0
   52    47    65    66   2.50000 -1.0 2.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55   -58    61   3.62500 -1.0 2.0
   52    55    69    67   3.62500 -1.0 2.0
   52    55    69    70   3.62500 -1.0 2.0
   53    52    55    58   1.05000 -1.0 2.0
   53    52    55    69   1.05000 -1.0 2.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    63   3.62500 -1.0 2.0
   55    58    61    62   1.05000 -1.0 2.0
   55    58    61    65   0.56600 -1.0 2.0
   55    69    70    71   0.84100 -1.0 2.0
   58    55    69    67   3.62500 -1.0 2.0
   58    55    69    70   3.62500 -1.0 2.0
   58    59    63    64   3.62500 -1.0 2.0
   58    59   -63    67   3.62500 -1.0 2.0
   58    61   -65    47   0.43900  1.0 1.0
   58    61   -65    47  -0.18150 -1.0 2.0
   58    61   -65    47  -0.03650  1.0 3.0
   58    61    65    66   0.03000  1.0 1.0
   58    61    65    66   0.58800 -1.0 2.0
   58    61    65    66   0.15550  1.0 3.0
   59    58    61    62   1.05000 -1.0 2.0
   59    58    61    65   0.56600 -1.0 2.0
   59    63    67    68   3.62500 -1.0 2.0
   59    63    67    69   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   60    59    63    67   3.62500 -1.0 2.0
   63    67   -69    55   3.62500 -1.0 2.0
   63    67    69    70   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    69   3.62500 -1.0 2.0
   67    69    70    71   0.84100 -1.0 2.0
   68    67    69    55   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   69    55   -58    59   3.62500 -1.0 2.0
   69    55    58    61   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    63   3.62500 -1.0 2.0
   62    61    65    47   0.03000  1.0 1.0
   62    61    65    47   0.58800 -1.0 2.0
   62    61    65    47   0.15550  1.0 3.0
   62    61    65    66   0.06100 -1.0 2.0
   65    47    52    53   2.50000 -1.0 2.0
   65    47   -52    55   1.50000 -1.0 2.0
   43    41    42    45   1.08500 -1.0 2.0
   43    41    42    47  -0.18600  1.0 3.0
   44    43    48    33   0.49600 -1.0 2.0
   44    43    48    49   0.06100 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  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    40    38    39  10.50000 -1.0 2.0
   38    54    40    41   1.10000 -1.0 2.0
   42    43    41    40   1.10000 -1.0 2.0
   41    45    42    47   1.10000 -1.0 2.0
   42    50    45    46  10.50000 -1.0 2.0
   45    51    50    54   1.10000 -1.0 2.0
   40    56    54    50   1.10000 -1.0 2.0
   52    65    47    42   1.10000 -1.0 2.0
   47    55    52    53  10.50000 -1.0 2.0
   58    69    55    52   4.00000 -1.0 2.0
   59    61    58    55   4.00000 -1.0 2.0
   63    60    59    58   1.10000 -1.0 2.0
   67    64    63    59   4.00000 -1.0 2.0
   69    68    67    63   1.10000 -1.0 2.0
   67    70    69    55   4.00000 -1.0 2.0
   58    65    61    62  10.50000 -1.0 2.0
   47    61    65    66  10.50000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
   33    43    48    49  10.50000 -1.0 2.0
END
