* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    120    190     351
    1     0 S   NP   _N1_     1    28.58191    95.19036   -22.22199
    2     1 S   H    _HN1     2     1.02780    96.26706   -84.16891
    3     1 S   H    _H1_     3     1.02958    83.52471    23.63773
    4     1 S   H    _H2_     4     1.02838    31.77396   161.66510
    5     1 S   CT   _CA1     5     1.50108   140.85538   138.25917
    6     5 S   HC   _HA1     6     1.09574   105.24357    72.08290
    7     5 S   CO3  _C1_     7     1.53790   112.39504   -48.17118
    8     7 S   O2Z  _O11     8     1.26359   115.00918   -44.14633
    9     7 S   O2Z  _O12     9     1.26238   114.92163   135.08648
   10     5 S   CT   _CB1    10     1.53099   107.44438  -169.98019
   11    10 S   HC   HB11    11     1.09825   109.36804   -50.70661
   12    10 S   HC   HB12    12     1.09819   110.40404    65.85223
   13    10 S   CT   _CG1    13     1.53013   112.65826  -171.79599
   14    13 S   HC   HG11    14     1.09595   110.46051   -63.39654
   15    13 S   HC   HG12    15     1.09652   109.97473    55.82909
   16    13 S   C    _CD1    16     1.51810   112.32044   176.22229
   17    16 S   O    _OE1    17     1.22721   123.27417    -1.51155
   18    16 S   N    _N2_    18     1.38647   111.64236   178.57070
   19    18 S   H    _HN2    19     1.01588   119.01922     1.36458
   20    18 S   CT1  _CA2    20     1.46166   123.34131   179.97202
   21    20 S   HC   _HA2    21     1.09736   109.37634    -7.71605
   22    20 S   C    _C2_    22     1.53458   108.45509  -123.32116
   23    22 S   O    _O2_    23     1.23028   122.15388  -145.96329
   24    20 S   CT   _CB2    32     1.53417   111.63257   114.27813
   25    24 S   HC   HB21    33     1.09595   110.04147    56.10525
   26    24 S   HC   HB22    34     1.09440   110.02082   174.99798
   27    22 S   N    _N3_    24     1.38475   113.46320    41.39402
   28    27 S   H    _HN3    25     1.01516   118.96546    -0.65402
   29    24 S   S    _SG2    35     1.82760   111.84408   -64.72463
   30    27 S   CT   _CA3    26     1.45462   123.50975   175.07439
   31    30 S   HC   HA31    27     1.09517   109.32857    22.73272
   32    30 S   HC   HA32    28     1.09497   107.10374   139.75955
   33    29 S   CT   _C11    36     1.83601    99.37341   176.53937
   34    33 S   HC   _H5_    37     1.09531   107.92614   -46.45731
   35    30 S   CO3  _C3_    29     1.52920   113.03336  -100.80034
   36    35 S   O2Z  _O31    30     1.26407   115.37263   -44.94821
   37    35 S   O2Z  _O32    31     1.26349   114.99895   135.94982
   38    33 S   CT   _C10    38     1.52272   111.14293    78.39587
   39    38 S   HC   _H4_    39     1.09391   115.87292   -36.44202
   40    38 S   CO   _C9_    40     1.53079   102.27244    85.48320
   41    40 S   HC   _H3_    41     1.09724   109.94489   -87.18428
   42    38 S   OH   _O36    65     1.42802   108.43200  -156.67352
   43    42 S   HO   _H12    66     0.97259   107.62524    67.81241
   44    40 S   N*   _N7_    42     1.44825   116.01358   151.30075
   45    40 S   OS   _O34    57     1.43897   107.58931    27.24380
   46    44 S   CRAB _C4_    43     1.37617   124.28757    93.74914
   47    46 S   HA   _H7_    44     1.08188   122.24455     0.20842
   48    33 S   CT   _C12    58     1.53754   114.31112  -168.01273
   49    48 S   HC   _H6_    59     1.09857   108.80929   161.79332
   50    46 S   NNA  _N4_    45     1.31770   112.38184  -179.76179
   51    48 S   CT   _C13    60     1.52398   117.34966    38.09315
   52    51 S   HC   _H9_    61     1.09417   111.06106    48.38562
   53    51 S   HC   _H10    62     1.09424   111.70602   -74.96040
   54    50 S   CB   _C5_    46     1.36405   103.96913     0.18767
   55    51 S   OH   _O35    63     1.42617   108.92459   166.86946
   56    55 S   HO   _H11    64     0.97246   106.98352   178.57687
   57    44 S   CN   _C8_    47     1.36745   128.92521   -85.65825
   58    57 S   NNC  _N6_    48     1.35386   127.17189     0.02798
   59    58 S   CDX  _C7_    49     1.31242   113.60679   179.78971
   60    59 S   NNB  _N5_    50     1.40689   122.79541    -0.09487
   61    60 S   H    _H8_    51     1.01370   117.98569   180.00000
   62    59 S   NND  _N8_    54     1.36694   121.61631   179.89165
   63    62 S   H    _H13    55     1.01389   120.29353    -0.23490
   64    62 S   H    _H14    56     1.01270   122.12607  -179.92598
   65    54 S   C    _C6_    52     1.43858   128.60206   179.69417
   66    65 S   O    _O33    53     1.22511   124.13306     0.28667
  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  10   5   4   3
  15   8   2   1   1  12   7  14   6   4   1  10   8   6   3   6
   4   6   4   3   2   7   1   1   6   7   7   6   3   3   1   1
   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    45    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    51    52    53    55    42    43  
   38    39    40    45    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    46    57    45    48    49    51    42    43  
   40    41    44    45    48    42    43  
   41    44    46    47    50    54    57    58    45    48    49    51    42    43  
   44    46    57    45    48    42  
   43    44    45    48  
    0  
   46    47    50    54    57    58    59    65    45    48  
   48    49    51    52    53    55    46    57  
   47    50    54    57    58    65  
   50    54    57  
   49    51    52    53    55    56  
   51    52    53    55  
   54    57    58    60    65    66  
   52    53    55    56  
   53    55    56  
   55    56  
   57    58    59    60    61    65    66  
   56  
    0  
   58    59    60    65    66    62  
   59    60    61    65    62    63    64  
   60    61    65    66    62    63    64  
   61    65    66    62    63    64  
   65    66    62  
   63    64    65  
   64  
    0  
   66  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   59   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   275.000  1.479
   40    45   320.000  1.380
   44    46   440.000  1.371
   44    57   436.000  1.374
   46    47   367.000  1.080
   46    50   529.000  1.304
   50    54   414.000  1.391
   54    57   520.000  1.370
   54    65   447.000  1.419
   57    58   461.000  1.354
   58    59   585.000  1.311
   59    60   427.000  1.381
   59    62   481.000  1.340
   60    61   434.000  1.010
   60    65   418.000  1.388
   65    66   570.000  1.229
   62    63   434.000  1.010
   62    64   434.000  1.010
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   320.000  1.410
   55    56   553.000  0.945
   42    43   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    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    48    45    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    44    75.00000  107.44000
   38    40    45    90.00000  108.56700
   38    42    43    55.00000  108.50000
   40    38    39    45.00000  108.72000
   40    44    46    70.00000  128.80000
   40    44    57    70.00000  125.80000
   40    45    48    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    47    35.00000  123.05000
   44    46    50    70.00000  113.90000
   44    57    54    70.00000  106.20000
   44    57    58    70.00000  126.20000
   46    50    54    70.00000  103.80000
   50    46    47    35.00000  123.05000
   50    54    57    70.00000  110.40000
   50    54    65    70.00000  130.00000
   54    57    58    70.00000  127.70000
   54    65    60    70.00000  111.30000
   54    65    66    80.00000  128.80000
   57    44    46    70.00000  105.40000
   57    58    59    70.00000  112.20000
   58    59    60    70.00000  123.30000
   58    59    62    70.00000  119.30000
   59    60    61    35.00000  118.00000
   59    60    65    70.00000  125.20000
   59    62    63    35.00000  120.00000
   59    62    64    35.00000  120.00000
   60    65    66    80.00000  120.60000
   65    54    57    85.00000  119.20000
   65    60    61    35.00000  116.80000
   62    59    60    70.00000  116.00000
   64    62    63    35.00000  120.00000
   45    40    41    35.00000  109.50000
   45    40    44   105.00000  106.22000
   45    48    49    35.00000  109.50000
   45    48    51    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    50.00000  109.50000
   51    48    49    37.50000  110.70000
   51    55    56    55.00000  108.50000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  111.58700
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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.64600  1.0 1.0
   33    38    40    44   0.58400 -1.0 2.0
   33    38   -40    45   0.62750  1.0 1.0
   33    38   -40    45  -0.30950 -1.0 2.0
   33    38   -40    45   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.86500  1.0 1.0
   33    48    51    55  -0.17500 -1.0 2.0
   33    48    51    55   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    45   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    45   0.62750  1.0 1.0
   38    33   -48    45  -0.30950 -1.0 2.0
   38    33   -48    45   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   0.20000  1.0 3.0
   38    40    44    46   1.10250  1.0 1.0
   38    40    44    46   0.01650 -1.0 2.0
   38    40    44    46   0.39100  1.0 3.0
   38    40    44    57   1.10250  1.0 1.0
   38    40    44    57   0.01650 -1.0 2.0
   38    40    44    57   0.39100  1.0 3.0
   38    40   -45    48   0.06250  1.0 1.0
   38    40   -45    48  -0.01100 -1.0 2.0
   38    40   -45    48   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    46    47   3.62500 -1.0 2.0
   40    44    46    50   3.62500 -1.0 2.0
   40    44    57    54   0.81400  1.0 1.0
   40    44    57    54   1.55550 -1.0 2.0
   40    44    57    58   3.62500 -1.0 2.0
   40    45   -48    33   0.06250  1.0 1.0
   40    45   -48    33  -0.01100 -1.0 2.0
   40    45   -48    33   0.28050  1.0 3.0
   40    45    48    49   0.37050  1.0 3.0
   40    45    48    51   0.06250  1.0 1.0
   40    45    48    51  -0.01100 -1.0 2.0
   40    45    48    51   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    57   0.00000  1.0 1.0
   41    40    45    48   0.37050  1.0 3.0
   44    40    45    48  -2.37750  1.0 1.0
   44    40    45    48  -0.08150 -1.0 2.0
   44    40    45    48   0.59000  1.0 3.0
   44    46   -50    54   3.62500 -1.0 2.0
   44    57    58    59   1.25000 -1.0 2.0
   46    44   -57    54   0.70250  1.0 1.0
   46    44   -57    54   1.56150 -1.0 2.0
   46    44    57    58   3.62500 -1.0 2.0
   46    50   -54    57   3.62500 -1.0 2.0
   46    50    54    65   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -57    44   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   50    54    65    60   5.37500 -1.0 2.0
   50    54    65    66   0.41000 -1.0 2.0
   54    57    58    59   3.62500 -1.0 2.0
   57    44    46    47   3.62500 -1.0 2.0
   57    44   -46    50   3.62500 -1.0 2.0
   57    54    65    60   1.50000 -1.0 2.0
   57    54    65    66   1.05000 -1.0 2.0
   57    58   -59    60   3.62500 -1.0 2.0
   57    58    59    62   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    60    65   3.62500 -1.0 2.0
   58    59    62    63   0.70000 -1.0 2.0
   58    59    62    64   0.70000 -1.0 2.0
   59    60   -65    54   1.52500 -1.0 2.0
   59    60    65    66   3.04450 -1.0 2.0
   60    59    62    63   1.01500 -1.0 2.0
   60    59    62    64   1.01500 -1.0 2.0
   61    60    65    54   1.52500 -1.0 2.0
   61    60    65    66   2.45000 -1.0 2.0
   65    54    57    44   3.62500 -1.0 2.0
   65    54   -57    58   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    65   3.62500 -1.0 2.0
   45    40    44    46   0.10350  1.0 1.0
   45    40    44    46  -0.15350 -1.0 2.0
   45    40    44    57   0.10350  1.0 1.0
   45    40    44    57  -0.15350 -1.0 2.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    53   0.23400  1.0 3.0
   45    48    51    55   3.69350  1.0 1.0
   45    48    51    55  -1.82950 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56  -0.11600  1.0 1.0
   48    51    55    56  -0.09450 -1.0 2.0
   48    51    55    56   0.21250  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.23400  1.0 3.0
   52    51    55    56   0.19450  1.0 3.0
   53    51    55    56   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   2.76900  1.0 1.0
   42    38    40    44  -0.24350 -1.0 2.0
   42    38    40    44  -0.78250  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -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
   46    57    44    40   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   57    65    54    50   4.00000 -1.0 2.0
   54    58    57    44   4.00000 -1.0 2.0
   60    62    59    58  10.50000 -1.0 2.0
   61    59    60    65   1.00000 -1.0 2.0
   54    60    65    66  10.50000 -1.0 2.0
   64    59    62    63   1.00000 -1.0 2.0
END
