* LIGAND DATABASE FILE (OPLS2005)
*
001      67    70    122    195     352
    1     0 S   NP   _N1_     1    28.73761    95.78779   -22.25805
    2     1 S   H    _HN1     2     1.02957    80.64205    13.13664
    3     1 S   H    _H1_     3     1.02828    35.50229   151.14993
    4     1 S   H    _H2_     4     1.02778    94.95538   -94.67417
    5     1 S   CT   _CA1     5     1.50121   144.14641   125.14522
    6     5 S   HC   _HA1     6     1.09562   105.26653    75.07125
    7     5 S   CO3  _C1_     7     1.53829   112.31144   -45.32766
    8     7 S   O2Z  _O11     8     1.26371   114.98400   -43.58499
    9     7 S   O2Z  _O12     9     1.26227   115.00830   135.50458
   10     5 S   CT   _CB1    10     1.53075   107.41640  -166.79732
   11    10 S   HC   HB11    11     1.09827   109.61379   -48.45098
   12    10 S   HC   HB12    12     1.09822   110.31639    68.19401
   13    10 S   CT   _CG1    13     1.52984   112.57765  -169.40415
   14    13 S   HC   HG11    14     1.09598   110.53883   -61.01343
   15    13 S   HC   HG12    15     1.09646   109.95604    58.25544
   16    13 S   C    _CD1    16     1.51783   112.21070   178.85346
   17    16 S   O    _OE1    17     1.22733   123.28789     1.06899
   18    16 S   N    _N2_    18     1.38632   111.64012  -179.46955
   19    18 S   H    _HN2    19     1.01588   119.03439     3.13856
   20    18 S   CT1  _CA2    20     1.46253   123.33037  -177.54106
   21    20 S   HC   _HA2    21     1.09729   109.33953    -4.54166
   22    20 S   C    _C2_    22     1.53350   108.80444  -120.34348
   23    22 S   O    _O2_    23     1.23044   122.28339  -148.63726
   24    20 S   CT   _CB2    32     1.53417   111.27209   117.14678
   25    24 S   HC   HB21    33     1.09590   109.67726    58.57674
   26    24 S   HC   HB22    34     1.09490   110.49623   177.66871
   27    22 S   N    _N3_    24     1.38338   113.57757    38.84946
   28    27 S   H    _HN3    25     1.01630   119.50160    -3.66217
   29    24 S   S    _SG2    35     1.82734   111.24991   -62.04198
   30    27 S   CT   _CA3    26     1.45288   123.12530   176.94360
   31    30 S   HC   HA31    27     1.09553   107.52639   -63.75752
   32    30 S   HC   HA32    28     1.09559   107.94228    52.64304
   33    29 S   CT   _C10    36     1.84386    99.73280   169.17431
   34    33 S   HC   _H3_    37     1.09729   105.82272   -36.75247
   35    30 S   CO3  _C3_    29     1.52935   114.15167   174.62502
   36    35 S   O2Z  _O31    30     1.26365   116.06632    -0.84279
   37    35 S   O2Z  _O32    31     1.26431   114.40926   179.22167
   38    33 S   CA   _C7_    38     1.51859   111.45140    80.53643
   39    33 S   CT   _C11    49     1.54330   112.24238  -152.29690
   40    39 S   HC   _H4_    50     1.09778   110.99956  -172.15888
   41    38 S   CA   _C6_    39     1.40404   122.15675    63.10550
   42    41 S   HA   _H7_    40     1.08693   120.74379    -0.58115
   43    39 S   CO4  _C12    51     1.51532   112.22020    67.47358
   44    43 S   O    _O33    52     1.21531   127.70141    55.24487
   45    41 S   CA   _C5_    41     1.39663   120.75525   179.85463
   46    45 S   HA   _H6_    42     1.08635   119.88616   179.87489
   47    43 S   CA   _C13    53     1.43565   106.89001  -124.84790
   48    45 S   CA   _C4_    43     1.39255   120.14183    -0.02798
   49    48 S   HA   _H5_    44     1.08607   120.07209   179.96044
   50    47 S   CA   _C14    54     1.38172   106.10571     0.68242
   51    48 S   CA   _C9_    45     1.39240   119.84926     0.03956
   52    51 S   HA   _H9_    46     1.08632   119.98807   179.94405
   53    50 S   CA   _C15    55     1.39046   121.12352   179.46186
   54    53 S   HA   _H10    56     1.08477   120.47516  -179.76845
   55    39 S   OS   _O37    67     1.45224   113.01646   -51.77750
   56    38 S   CA   _C8_    47     1.40454   119.49088  -117.05391
   57    56 S   HA   _H8_    48     1.08759   120.47701     0.18452
   58    53 S   CA   _C16    57     1.40046   118.09291     0.05234
   59    58 S   CA   _C17    58     1.39009   119.36368    -0.12972
   60    58 S   OH   _O36    65     1.36343   121.20900   179.94065
   61    60 S   HO   _H13    66     0.97225   108.65600     0.66411
   62    47 S   CA   _C18    59     1.36537   132.99894   179.92087
   63    62 S   OS   _O34    60     1.35371   128.29306     0.59578
   64    63 S   CO   _C19    61     1.44257   100.84014  -179.88809
   65    64 S   HC   _H11    62     1.09533   108.79820   120.95666
   66    64 S   HC   _H12    63     1.09611   108.59688  -120.98085
   67    59 S   OS   _O35    64     1.36235   126.39403  -179.94766
  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
  15   7   2   1   1  13  10   5   8   4   8   4   6   3  10   5
   3   8   3   2   8   4   2   1   1   7   8   3   1   5   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47    50    55  
   38    41    56    39    40    43    55  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    56    57    39    40    43    55  
   40    43    44    47    50    53    62    55    41    56  
   43    44    47    50    55  
   42    45    46    48    49    51    56    57  
   45    46    48    56  
   44    47    50    53    59    62    63    55  
   47    50    62    55  
   46    48    49    51    52    56  
   48    49    51  
   50    53    54    58    59    62    63    64    67    55  
   49    51    52    56    57  
   51    52    56  
   53    54    58    59    62    63    60    55  
   52    56    57  
   56    57  
   54    58    59    62    67    60    61    55  
   58    59    60    55  
   58    62  
   57  
    0  
   59    62    63    64    67    60    61  
   62    63    64    65    66    67    60    61  
   61    62    67  
    0  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   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    39   268.000  1.529
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    55   320.000  1.410
   43    44   570.000  1.229
   43    47   310.000  1.470
   47    50   469.000  1.400
   47    62   469.000  1.400
   50    53   469.000  1.400
   50    55   450.000  1.364
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    62   469.000  1.400
   59    67   450.000  1.364
   62    63   450.000  1.364
   63    64   320.000  1.380
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   320.000  1.380
   60    61   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    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    51    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    56    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    56    57    35.00000  120.00000
   56    38    41    63.00000  120.00000
   56    51    52    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    47    65.00000  115.47100
   39    55    50    75.00000  111.00000
   43    39    40    35.00000  109.50000
   43    47    50    60.00000  119.52600
   43    47    62    60.00000  119.52600
   47    43    44    75.00000  123.78400
   47    50    53    63.00000  120.00000
   47    50    55    70.00000  120.00000
   47    62    59    63.00000  120.00000
   47    62    63    70.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    58    63.00000  120.00000
   53    58    59    63.00000  120.00000
   53    58    60    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    59    62    63.00000  120.00000
   58    59    67    70.00000  120.00000
   58    60    61    35.00000  113.00000
   59    62    63    70.00000  120.00000
   59    67    64   100.00000  112.36700
   62    47    50    63.00000  120.00000
   62    63    64   100.00000  112.36700
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    67    92.60000  111.55000
   66    64    65    33.00000  109.50000
   67    59    62    70.00000  120.00000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   60    58    59    70.00000  120.00000
   55    39    40    35.00000  109.50000
   55    39    43    90.00000  108.74100
   55    50    53    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    47   0.05850 -1.0 2.0
   33    39    43    47   0.17250  1.0 3.0
   33    39    55    50  -0.32850  1.0 1.0
   33    39    55    50  -0.35800 -1.0 2.0
   33    39    55    50   0.33950  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    55  -0.64350  1.0 1.0
   38    33    39    55  -0.04200 -1.0 2.0
   38    33    39    55   0.19800  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    56   3.62500 -1.0 2.0
   52    51    56    38   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    43   -47    50   2.26350  1.0 1.0
   39    43   -47    50   0.76750 -1.0 2.0
   39    43   -47    50   0.22500  1.0 3.0
   39    43    47    62   2.26350  1.0 1.0
   39    43    47    62   0.76750 -1.0 2.0
   39    43    47    62   0.22500  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    55    50   0.08050  1.0 3.0
   43    39   -55    50  -0.25600  1.0 1.0
   43    39   -55    50  -0.40050 -1.0 2.0
   43    39   -55    50   0.34700  1.0 3.0
   43    47    50    53   3.62500 -1.0 2.0
   43    47   -50    55   3.62500 -1.0 2.0
   43    47    62    59   3.62500 -1.0 2.0
   43    47    62    63   3.62500 -1.0 2.0
   44    43    47    50   1.05000 -1.0 2.0
   44    43    47    62   1.05000 -1.0 2.0
   47    50    53    54   3.62500 -1.0 2.0
   47    50    53    58   3.62500 -1.0 2.0
   47    50   -55    39   1.63200 -1.0 2.0
   47    62    63    64   1.63200 -1.0 2.0
   50    47    62    59   3.62500 -1.0 2.0
   50    47    62    63   3.62500 -1.0 2.0
   50    53   -58    59   3.62500 -1.0 2.0
   50    53    58    60   3.62500 -1.0 2.0
   53    50    55    39   1.63200 -1.0 2.0
   53    58    59    62   3.62500 -1.0 2.0
   53    58    59    67   3.62500 -1.0 2.0
   53    58    60    61   0.84100 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    60   3.62500 -1.0 2.0
   58    59   -62    47   3.62500 -1.0 2.0
   58    59    62    63   3.62500 -1.0 2.0
   58    59    67    64   1.63200 -1.0 2.0
   59    58    60    61   0.84100 -1.0 2.0
   59    62   -63    64   1.63200 -1.0 2.0
   62    47   -50    53   3.62500 -1.0 2.0
   62    47    50    55   3.62500 -1.0 2.0
   62    59   -67    64   1.63200 -1.0 2.0
   62    63    64    65   0.08050  1.0 3.0
   62    63    64    66   0.08050  1.0 3.0
   62    63   -64    67  -0.25600  1.0 1.0
   62    63   -64    67  -0.40050 -1.0 2.0
   62    63   -64    67   0.34700  1.0 3.0
   63    64   -67    59  -0.25600  1.0 1.0
   63    64   -67    59  -0.40050 -1.0 2.0
   63    64   -67    59   0.34700  1.0 3.0
   65    64    67    59   0.08050  1.0 3.0
   66    64    67    59   0.08050  1.0 3.0
   67    59    62    47   3.62500 -1.0 2.0
   67    59   -62    63   3.62500 -1.0 2.0
   60    58    59    62   3.62500 -1.0 2.0
   60    58    59    67   3.62500 -1.0 2.0
   55    39    43    44   0.30150 -1.0 2.0
   55    39   -43    47   0.65300  1.0 1.0
   55    39   -43    47  -0.03850 -1.0 2.0
   55    39   -43    47   0.33900  1.0 3.0
   55    50    53    54   3.62500 -1.0 2.0
   55    50    53    58   3.62500 -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
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    49    48    45   1.10000 -1.0 2.0
   56    52    51    48   1.10000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   50    62    47    43   4.00000 -1.0 2.0
   53    55    50    47   4.00000 -1.0 2.0
   58    54    53    50   1.10000 -1.0 2.0
   59    60    58    53   4.00000 -1.0 2.0
   62    67    59    58   4.00000 -1.0 2.0
   59    63    62    47   4.00000 -1.0 2.0
END
