* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    121    190     359
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02142    47.51159  -130.35464
    3     1 S   H    _H1_     3     1.02134   105.52439   -29.02207
    4     1 S   H    _H2_     4     1.02083    65.03905    74.71348
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.82117    98.15423   -78.11725
   34    33 S   HC   _H13    37     1.09354   107.83432    59.93416
   35    33 S   HC   _H14    38     1.09616   106.49939   -55.21455
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C12    39     1.53721   114.50594  -176.12369
   40    39 S   HC   _H4_    40     1.09700   107.02048   -38.96514
   41    39 S   CT   _C11    41     1.54046   115.45422  -162.27305
   42    41 S   HC   _H12    42     1.09637   109.54834    65.85235
   43    39 S   OH   _O34    67     1.43159   107.19416    75.07260
   44    43 S   HO   _H15    68     0.96864   106.19598   -59.95927
   45    41 S   CDS  _C10    43     1.52828   113.88995   -58.48809
   46    45 S   SD   _S1_    44     1.68552   120.27434   -58.19572
   47    41 S   SH   _S2_    65     1.83996   110.95572  -179.67374
   48    47 S   HS   _H16    66     1.33734    95.01946   -55.06043
   49    45 S   CT   _C5_    45     1.49085   120.29462   123.75903
   50    49 S   HC   _H3_    46     1.07816   109.45055  -180.00000
   51    49 S   CT   _C4_    47     1.51325   111.54033   -56.00195
   52    51 S   HC   _H5_    48     1.09116   111.35138   -67.45117
   53    51 S   HC   _H6_    49     1.09040   110.97931    53.78708
   54    51 S   NE   _N8_    50     1.47239   110.21926   173.20116
   55    54 S   H    _H11    51     1.01361   119.12422   135.59191
   56    54 S   CM   _C7_    52     1.32962   123.96930   -40.01788
   57    56 S   CM   _C6_    53     1.42625   119.01972     5.72170
   58    57 S   C    _C9_    54     1.49183   117.95639  -171.78006
   59    58 S   O    _O33    55     1.22719   115.05224   168.64124
   60    49 S   NE   _N4_    63     1.46357   107.17711    62.77282
   61    60 S   H    _H7_    64     1.01134   125.30449     8.31895
   62    58 S   NI   _N6_    56     1.37439   121.06571   -11.84204
   63    62 S   CDX  _C8_    57     1.29847   117.77919     7.16900
   64    56 S   NE   _N5_    58     1.32670   125.23623  -174.99665
   65    64 S   H    _H8_    59     1.01691   116.48451    -1.99292
   66    63 S   NE   _N7_    60     1.36808   124.17264   179.46698
   67    66 S   H    _H9_    61     0.99602   118.42501    -0.03426
   68    66 S   H    _H10    62     0.99527   118.43213   179.92867
  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   7   5   4   3
  10   5   4   2   1   1  10   6  11   6   3   1  12   5   2   1
  11   7   9   5   4   8   3  10   8   7   3   3   1   6   5   4
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    60    47    48    43    44  
   45    46    49    47    48    43  
   44    45    47  
    0  
   46    49    50    51    52    53    54    57    60    61    47    48  
   49    50    51    60    47  
   48    49  
    0  
   50    51    52    53    54    55    56    57    58    60    61  
   51    52    53    54    57    60    61  
   52    53    54    55    56    57    64    60    61  
   53    54    55    56    60  
   54    55    56    60  
   55    56    57    58    63    64    65    60  
   56    57    64  
   57    58    59    62    63    64    65    66    60    61  
   58    59    62    63    64    65    60    61  
   59    62    63    64    66    60    61  
   62    63    60  
   61    62    64  
    0  
   63    64    65    66    67    68  
   64    65    66    67    68  
   65    66    67    68  
   66  
   67    68  
   68  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.476200   2.0020   1.7750   0.023028004  -0.852763146
   46   4.1000   0.3950  -0.476200   2.3050   2.0500   0.025682759  -1.666211680
   47   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   48   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.723800   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.617900   1.6780   1.4800   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2800   0.1700  -0.795000   1.9250   1.7000   0.054801302  -2.445846770
   63   3.7500   0.1050   0.729100   2.1120   1.8750   0.001000000  -0.126889456
   64   3.2500   0.1700  -0.507500   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   285.000  1.501
   41    47   222.000  1.810
   45    46   340.000  1.659
   45    49   285.000  1.501
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    60   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   382.000  1.448
   54    55   434.000  1.010
   54    56   425.000  1.378
   56    57   549.000  1.340
   56    64   425.000  1.378
   57    58   410.000  1.444
   57    60   425.000  1.378
   58    59   570.000  1.229
   58    62   415.000  1.368
   62    63   650.000  1.285
   63    64   445.000  1.380
   63    66   445.000  1.380
   64    65   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   60    61   434.000  1.010
   47    48   274.000  1.336
   43    44   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    70.00000  110.64500
   39    41    47    50.00000  108.60000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    65.00000  123.03400
   41    45    49    65.00000  115.26000
   41    47    48    44.00000   96.00000
   45    41    42    45.00000  109.11000
   45    49    50    45.00000  109.11000
   45    49    51    70.00000  110.64500
   45    49    60    75.00000  111.62000
   49    45    46    65.00000  123.03400
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    80.00000  111.61500
   49    60    57    50.00000  121.00000
   49    60    61    35.00000  112.50000
   51    49    50    37.50000  110.70000
   51    54    55    35.00000  112.50000
   51    54    56    50.00000  121.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    56    57    70.00000  124.03900
   54    56    64    80.00000  126.31400
   56    54    55    35.00000  114.50000
   56    57    58    70.00000  118.70000
   56    57    60    70.00000  124.03900
   56    64    63    75.00000  119.57500
   56    64    65    35.00000  114.50000
   57    58    59    80.00000  125.30000
   57    58    62    75.00000  112.93000
   57    60    61    35.00000  114.50000
   58    62    63    75.00000  109.13600
   62    58    59    80.00000  126.08800
   62    63    64    75.00000  124.36500
   62    63    66    75.00000  124.36500
   63    64    65    35.00000  119.50000
   63    66    67    35.00000  119.50000
   63    66    68    35.00000  119.50000
   64    56    57    70.00000  124.03900
   66    63    64    85.00000  116.27000
   68    66    67    35.00000  109.00000
   60    49    50    35.00000  109.50000
   60    49    51    80.00000  111.61500
   60    57    58    70.00000  117.92000
   47    41    42    35.00000  109.50000
   47    41    45    70.00000  113.82000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  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
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45  -0.95700  1.0 1.0
   33    39    41    45  -0.18200 -1.0 2.0
   33    39    41    45   0.29450  1.0 3.0
   33    39    41    47   0.43650  1.0 1.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46  -0.72750  1.0 1.0
   39    41    45    46   0.84450 -1.0 2.0
   39    41    45    49   0.60050  1.0 1.0
   39    41    45    49   0.05600 -1.0 2.0
   39    41    45    49   0.26150  1.0 3.0
   39    41    47    48  -0.37950  1.0 1.0
   39    41    47    48  -0.15600 -1.0 2.0
   39    41    47    48   0.18750  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45  -0.11250  1.0 3.0
   40    39    41    47   0.15000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.60050  1.0 1.0
   41    45    49    51   0.05600 -1.0 2.0
   41    45    49    51   0.26150  1.0 3.0
   41    45    49    60   0.65300  1.0 1.0
   41    45    49    60  -0.03850 -1.0 2.0
   41    45    49    60   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    49   0.00000  1.0 1.0
   42    41    47    48   0.22550  1.0 3.0
   45    41    47    48   0.00000  1.0 1.0
   45    49    51    52  -0.11250  1.0 3.0
   45    49    51    53  -0.11250  1.0 3.0
   45    49    51    54  -2.10200  1.0 1.0
   45    49    51    54  -0.31600 -1.0 2.0
   45    49    51    54   0.13050  1.0 3.0
   45    49    60    57  -0.12500  1.0 1.0
   45    49    60    57  -0.12500 -1.0 2.0
   45    49    60    57   0.25000  1.0 3.0
   45    49    60    61  -0.12500  1.0 1.0
   45    49    60    61  -0.12500 -1.0 2.0
   45    49    60    61   0.25000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51  -0.72750  1.0 1.0
   46    45    49    51   0.84450 -1.0 2.0
   46    45    49    60   0.00000  1.0 1.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56   0.25450  1.0 1.0
   49    51    54    56  -0.61700 -1.0 2.0
   49    51    54    56  -0.23550  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.22950  1.0 3.0
   50    49    60    57   0.00000  1.0 1.0
   50    49    60    61   0.00000  1.0 1.0
   51    49    60    57   0.25450  1.0 1.0
   51    49    60    57  -0.61700 -1.0 2.0
   51    49    60    57  -0.23550  1.0 3.0
   51    49    60    61   0.00000  1.0 1.0
   51    54   -56    57  -0.54700  1.0 1.0
   51    54   -56    57   1.23000 -1.0 2.0
   51    54    56    64   1.00000 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    56   0.00000  1.0 1.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    60   7.00000 -1.0 2.0
   54    56    64    63   1.00000 -1.0 2.0
   54    56    64    65   1.00000 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    64   1.00000 -1.0 2.0
   56    57    58    59   1.00000 -1.0 2.0
   56    57    58    62   0.50400  1.0 1.0
   56    57    58    62   1.60000 -1.0 2.0
   56    57    58    62  -0.01800  1.0 3.0
   56    57   -60    49  -0.54700  1.0 1.0
   56    57   -60    49   1.23000 -1.0 2.0
   56    57    60    61   1.00000 -1.0 2.0
   57    56    64    63  -0.54500  1.0 1.0
   57    56    64    63   1.14150 -1.0 2.0
   57    56    64    65   1.00000 -1.0 2.0
   57    58   -62    63   1.50000 -1.0 2.0
   58    57    60    49   1.00000 -1.0 2.0
   58    57    60    61   1.00000 -1.0 2.0
   58    62    63    64   6.00000 -1.0 2.0
   58    62    63    66   6.00000 -1.0 2.0
   59    58    62    63   3.09300 -1.0 2.0
   62    63   -64    56   1.00000 -1.0 2.0
   62    63    64    65   1.50000 -1.0 2.0
   62    63    66    67   1.50000 -1.0 2.0
   62    63    66    68   1.50000 -1.0 2.0
   64    56   -57    58   7.00000 -1.0 2.0
   64    56    57    60   7.00000 -1.0 2.0
   64    63    66    67   1.00000 -1.0 2.0
   64    63    66    68   1.00000 -1.0 2.0
   66    63    64    56   1.00000 -1.0 2.0
   66    63    64    65   1.00000 -1.0 2.0
   60    49    51    52   0.22950  1.0 3.0
   60    49    51    53   0.22950  1.0 3.0
   60    49   -51    54   2.20050  1.0 1.0
   60    49   -51    54   0.63450 -1.0 2.0
   60    49   -51    54  -0.91300  1.0 3.0
   60    57    58    59  -0.52200  1.0 1.0
   60    57    58    59   0.82950 -1.0 2.0
   60    57    58    62   1.50000 -1.0 2.0
   47    41    45    46   0.00000  1.0 1.0
   47    41    45    49   0.65300  1.0 1.0
   47    41    45    49  -0.03850 -1.0 2.0
   47    41    45    49   0.33900  1.0 3.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45  -0.09450  1.0 1.0
   43    39    41    45  -1.12950 -1.0 2.0
   43    39    41    45   0.54000  1.0 3.0
   43    39    41    47   0.56750  1.0 1.0
   43    39    41    47  -0.07550 -1.0 2.0
   43    39    41    47   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   41    49    45    46  10.50000 -1.0 2.0
   55    56    54    51   1.00000 -1.0 2.0
   54    64    56    57   1.10000 -1.0 2.0
   58    60    57    56   1.10000 -1.0 2.0
   57    62    58    59  10.50000 -1.0 2.0
   64    66    63    62  10.50000 -1.0 2.0
   65    63    64    56   1.00000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
   61    57    60    49   1.00000 -1.0 2.0
END
