* LIGAND DATABASE FILE (OPLS2005)
*
001      67    67    122    179     355
    1     0 S   NP   _N1_     1    28.70091    96.43911   -20.80592
    2     1 S   H    _HN1     2     1.02961    80.41021    29.88412
    3     1 S   H    _H1_     3     1.02841    41.22897   159.92817
    4     1 S   H    _H2_     4     1.02782    87.59877   -79.14953
    5     1 S   CT   _CA1     5     1.50118   151.35587   145.29227
    6     5 S   HC   _HA1     6     1.09572   105.23537    69.39440
    7     5 S   CO3  _C1_     7     1.53735   112.40185   -50.83890
    8     7 S   O2Z  _O11     8     1.26365   115.03069   -43.61938
    9     7 S   O2Z  _O12     9     1.26235   114.96395   135.73164
   10     5 S   CT   _CB1    10     1.53107   107.44175  -172.66840
   11    10 S   HC   HB11    11     1.09825   109.29827   -50.58340
   12    10 S   HC   HB12    12     1.09821   110.42423    65.95513
   13    10 S   CT   _CG1    13     1.53026   112.72923  -171.68795
   14    13 S   HC   HG11    14     1.09590   110.45849   -64.41959
   15    13 S   HC   HG12    15     1.09650   109.98375    54.81729
   16    13 S   C    _CD1    16     1.51835   112.29143   175.15232
   17    16 S   O    _OE1    17     1.22720   123.25664    -1.20122
   18    16 S   N    _N2_    18     1.38597   111.65375   178.85825
   19    18 S   H    _HN2    19     1.01605   119.01071     0.86411
   20    18 S   CT1  _CA2    20     1.46302   123.45940  -179.52276
   21    20 S   HC   _HA2    21     1.09731   109.43707   -10.81965
   22    20 S   C    _C2_    22     1.53427   108.41181  -126.52210
   23    22 S   O    _O2_    23     1.23019   122.21364  -146.37509
   24    20 S   CT   _CB2    32     1.53434   111.17045   111.34361
   25    24 S   HC   HB21    33     1.09354   109.11696    55.00616
   26    24 S   HC   HB22    34     1.09493   110.58472   173.50695
   27    22 S   N    _N3_    24     1.38502   113.41289    41.05844
   28    27 S   H    _HN3    25     1.01517   118.93018    -0.63118
   29    24 S   S    _SG2    35     1.82977   111.24661   -67.29354
   30    27 S   CT   _CA3    26     1.45449   123.45433   175.15604
   31    30 S   HC   HA31    27     1.09523   109.25605    24.09303
   32    30 S   HC   HA32    28     1.09497   107.11735   141.09341
   33    29 S   CT   _C9_    36     1.86166   101.82081   153.75691
   34    30 S   CO3  _C3_    29     1.52920   113.09945   -99.40201
   35    34 S   O2Z  _O31    30     1.26403   115.40006   -44.78944
   36    34 S   O2Z  _O32    31     1.26354   114.99237   136.15302
   37    33 S   CO4  _C7_    37     1.53585   107.06509   -66.86803
   38    37 S   O    _O14    38     1.23239   122.06670   103.35493
   39    33 S   CT   _C12    52     1.55238   112.22959    54.12572
   40    39 S   HC   _H26    53     1.09753   110.25818   -62.76501
   41    39 S   HC   _H27    54     1.09956   108.29998  -176.84582
   42    37 S   CM   _C5_    39     1.49863   119.04163   -74.14230
   43    39 S   CT   _C14    55     1.53539   116.07531    61.42105
   44    43 S   HC   _H30    56     1.09549   110.08174    60.45121
   45    43 S   HC   _H31    57     1.09506   110.53047   -58.03372
   46    42 S   CM   _C4_    40     1.34150   119.17972   -18.52800
   47    46 S   HC   _H17    41     1.08406   122.54936   179.05851
   48    42 S   OS   _O15    47     1.37957   114.60984   161.29078
   49    43 S   CT   _C15    58     1.53180   110.98336  -178.95189
   50    49 S   HC   _H32    59     1.09687   109.56415    58.87262
   51    49 S   HC   _H33    60     1.09682   109.58747   -58.44571
   52    46 S   CO4  _C6_    42     1.47983   122.49667    -2.62458
   53    52 S   O    _O13    43     1.22991   119.49599   179.54329
   54    48 S   CT   _C11    48     1.42250   117.72958  -179.17409
   55    54 S   HC   _H23    49     1.09394   107.94004   178.46494
   56    54 S   HC   _H24    50     1.09389   110.92701    60.34916
   57    54 S   HC   _H25    51     1.09476   110.89359   -63.43871
   58    49 S   CT   _C13    61     1.52855   111.32816  -179.81655
   59    58 S   HC   _H28    62     1.09622   109.86493   -58.83547
   60    58 S   HC   _H29    63     1.09621   109.86752    58.89529
   61    33 S   CT   _C8_    44     1.53506   108.34929   176.05434
   62    61 S   HC   _H18    45     1.09687   111.07871   -52.68566
   63    61 S   HC   _H19    46     1.09793   110.31151  -171.71549
   64    58 S   CT   _C10    64     1.52032   111.48802  -179.96044
   65    64 S   HC   _H20    65     1.09468   111.00088   -60.25768
   66    64 S   HC   _H21    66     1.09469   110.99994    60.26140
   67    64 S   HC   _H22    67     1.09449   110.26157  -180.00000
  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  12   5   4   3
  17   2   1   1  14   5  14   6   5  10  10   5   4   8   4   5
   9   5   4   4   3   3   2   1   1   6   5   4   2   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    61    62    63    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    52    53    61    62    63    48    39    40    41    43    44    45    49  
   35    36  
   36  
    0  
   38    42    46    47    52    61    62    63    48    54    39    40    41    43  
   42    46    61    48    39  
   40    41    43    44    45    49    50    51    58    42    52    61    62    63  
   41    43    44    45    49    61  
   43    44    45    49    61  
   46    47    52    53    61    48    54    55    56    57  
   44    45    49    50    51    58    59    60    64    61  
   45    49    50    51    58  
   49    50    51    58  
   47    52    53    61    62    63    48    54  
   52    53    61    48  
   54    55    56    57    52  
   50    51    58    59    60    64    65    66    67  
   51    58    59    60    64  
   58    59    60    64  
   53    61    62    63  
   61    62    63  
   55    56    57  
   56    57  
   57  
    0  
   59    60    64    65    66    67  
   60    64    65    66    67  
   64    65    66    67  
   62    63  
   63  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    61   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    46   549.000  1.340
   42    48   440.000  1.360
   46    47   340.000  1.080
   46    52   320.000  1.462
   52    53   570.000  1.229
   52    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    61    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    61    52    63.00000  111.10000
   33    61    62    37.50000  110.70000
   33    61    63    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    58.35000  112.70000
   37    42    46    65.00000  118.96000
   37    42    48    85.00000  116.28000
   42    37    38    80.00000  123.72100
   42    46    47    35.00000  120.00000
   42    46    52    65.00000  118.96000
   42    48    54    90.00000  111.18400
   46    52    53    80.00000  123.72100
   46    52    61    65.00000  118.62400
   52    46    47    40.00000  117.72500
   52    61    62    35.00000  109.50000
   52    61    63    35.00000  109.50000
   61    33    37    63.00000  111.10000
   61    52    53    80.00000  120.40000
   63    61    62    33.00000  107.80000
   48    42    46    80.00000  120.01400
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    61    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   41    39    40    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    61    52   0.56750  1.0 1.0
   29    33    61    52  -0.07550 -1.0 2.0
   29    33    61    52   0.20000  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   29    33    61    63   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    37    42    46  -0.33500  1.0 1.0
   33    37    42    46   1.06600 -1.0 2.0
   33    37    42    46  -0.14000  1.0 3.0
   33    37    42    48   0.32450 -1.0 2.0
   33    37    42    48   0.17400  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    49   0.56750  1.0 1.0
   33    39    43    49  -0.07550 -1.0 2.0
   33    39    43    49   0.20000  1.0 3.0
   37    33    61    52   0.11950  1.0 1.0
   37    33    61    52   0.20300 -1.0 2.0
   37    33    61    52  -0.70800  1.0 3.0
   37    33    61    62  -0.11250  1.0 3.0
   37    33    61    63  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    42    46    47   7.00000 -1.0 2.0
   37    42   -46    52   7.00000 -1.0 2.0
   37    42    48    54   0.15100 -1.0 2.0
   38    37    42    46   1.00000 -1.0 2.0
   38    37    42    48  -0.11900  1.0 1.0
   38    37    42    48   0.76850 -1.0 2.0
   38    37    42    48   0.14100  1.0 3.0
   42    46    52    53   1.00000 -1.0 2.0
   42    46    52    61  -0.33500  1.0 1.0
   42    46    52    61   1.06600 -1.0 2.0
   42    46    52    61  -0.14000  1.0 3.0
   42    48    54    55   0.08050  1.0 3.0
   42    48    54    56   0.08050  1.0 3.0
   42    48    54    57   0.08050  1.0 3.0
   46    42    48    54  -2.26850  1.0 1.0
   46    42    48    54   3.39050 -1.0 2.0
   46    52   -61    33   0.65300  1.0 1.0
   46    52   -61    33  -0.03850 -1.0 2.0
   46    52   -61    33   0.33900  1.0 3.0
   46    52    61    62   0.00000  1.0 1.0
   46    52    61    63   0.00000  1.0 1.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    61   0.04550  1.0 1.0
   47    46    52    61   0.83000 -1.0 2.0
   47    46    52    61  -0.04000  1.0 3.0
   53    52    61    33   0.30150 -1.0 2.0
   53    52    61    62   0.00000  1.0 1.0
   53    52    61    63   0.00000  1.0 1.0
   61    33    37    38   0.30150 -1.0 2.0
   61    33   -37    42   0.65300  1.0 1.0
   61    33   -37    42  -0.03850 -1.0 2.0
   61    33   -37    42   0.33900  1.0 3.0
   61    33    39    40   0.15000  1.0 3.0
   61    33    39    41   0.15000  1.0 3.0
   61    33    39    43   0.56750  1.0 1.0
   61    33    39    43  -0.07550 -1.0 2.0
   61    33    39    43   0.20000  1.0 3.0
   48    42    46    47   7.00000 -1.0 2.0
   48    42    46    52   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    61    52  -0.95700  1.0 1.0
   39    33    61    52  -0.18200 -1.0 2.0
   39    33    61    52   0.29450  1.0 3.0
   39    33    61    62   0.15000  1.0 3.0
   39    33    61    63   0.15000  1.0 3.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43    49    58   0.56750  1.0 1.0
   39    43    49    58  -0.07550 -1.0 2.0
   39    43    49    58   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    49   0.15000  1.0 3.0
   43    49    58    59   0.15000  1.0 3.0
   43    49    58    60   0.15000  1.0 3.0
   43    49    58    64   0.56750  1.0 1.0
   43    49    58    64  -0.07550 -1.0 2.0
   43    49    58    64   0.20000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    58   0.15000  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    58   0.15000  1.0 3.0
   49    58    64    65   0.15000  1.0 3.0
   49    58    64    66   0.15000  1.0 3.0
   49    58    64    67   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    64   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    64   0.15000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    67   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    48    42    46   1.10000 -1.0 2.0
   52    47    46    42   1.10000 -1.0 2.0
   46    61    52    53  10.50000 -1.0 2.0
END
