* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    128    208     380
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02118    55.67124    87.85088
    3     1 S   H    _H1_     3     1.02118    56.45802  -115.47959
    4     1 S   H    _H2_     4     1.02132   106.63634   -13.74877
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C10    36     1.80585    98.13950   161.76202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CD   _C11    37     1.51194   108.66584   -80.00234
   38    37 S   HC   _H12    38     1.10206   120.51777    64.44199
   39    33 S   CT   _C9_    51     1.52009   112.72099    43.62820
   40    39 S   HC   _H10    52     1.09057   111.41607    57.77670
   41    39 S   HC   _H11    53     1.09090   111.38989   -65.72273
   42    37 S   NI   _N5_    39     1.29760   117.07213  -115.83624
   43    39 S   NP   _N4_    54     1.48006   108.95698   176.07016
   44    43 S   H    _H8_    55     1.03192   109.50354    56.78322
   45    43 S   H    _H9_    56     1.03189   109.51644   -58.34176
   46    42 S   CM   _C12    40     1.37528   104.91251    -0.12195
   47    43 S   CT   _C8_    57     1.47929   114.53500   179.23434
   48    47 S   HC   _H5_    58     1.09683   107.21850   -40.77813
   49    33 S   CM   _C13    41     1.48749   112.61275   176.31406
   50    47 S   CM   _C4_    59     1.49696   115.06322  -162.87744
   51    50 S   HC   _H6_    60     1.08016   124.41503    43.10652
   52    49 S   C    _C14    42     1.48656   127.98316   -68.60798
   53    52 S   O    _O33    43     1.22758   119.90081     0.21850
   54    50 S   CM   _C5_    61     1.33833   111.12379  -139.56580
   55    54 S   HC   _H7_    62     1.08012   124.40433  -177.15139
   56    52 S   NI   _N6_    44     1.38917   116.83936  -179.73980
   57    54 S   CT   _C6_    63     1.49830   111.13336     0.03956
   58    57 S   HC   _H3_    64     1.10118   109.03010   -99.19180
   59    56 S   CDX  _C15    45     1.31082   119.70850     0.75950
   60    47 S   CT   _C7_    65     1.53753   111.18515    81.45627
   61    60 S   HC   _H4_    66     1.09613   112.28444   -85.98733
   62    57 S   OH   _O35    69     1.41402   112.39256   139.68923
   63    62 S   HO   _H17    70     0.97328   107.22192    60.07709
   64    46 S   NE   _N7_    46     1.36984   129.35404  -179.60534
   65    64 S   H    _H13    47     1.01380   117.54514    -0.29871
   66    59 S   NE   _N8_    48     1.37161   122.72177   179.91844
   67    66 S   H    _H14    49     0.99370   118.22188    -0.01978
   68    66 S   H    _H15    50     0.99311   118.26302   179.95577
   69    60 S   OH   _O34    67     1.42729   110.43860    34.60707
   70    69 S   HO   _H16    68     0.96929   106.38256    59.94336
  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  11   5   4   3
  16   2   1   1  10   4  13   6   5   6  12   5   4   8  12   7
   6   9   4   5   2   8   4   6   7   5   5   5   3   2   1   4
   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    49    52    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    49    52    53    56    64    39    40    41    43    44    45    47  
   35    36  
   36  
    0  
   38    42    46    49    52    64    39    40    41    43  
   42    46    49    39  
   40    41    43    44    45    47    48    50    60    42    46    49    52  
   41    43    44    45    47    49  
   43    44    45    47    49  
   46    49    52    59    64    65  
   44    45    47    48    50    51    54    57    60    61    69    49  
   45    47    48    50    60  
   47    48    50    60  
   49    52    53    56    59    64    65    66  
   48    50    51    54    55    57    58    60    61    69    70    62  
   50    51    54    57    60    61    69  
   52    53    56    59    64    65  
   51    54    55    57    58    60    61    69    62  
   54    55    57    60  
   53    56    59    64    66  
   56    59  
   55    57    58    60    61    69    62    63  
   57    58    60    62  
   59    64    65    66    67    68  
   58    60    61    69    70    62    63  
   60    61    69    62    63  
   64    65    66    67    68  
   61    69    70    62    63  
   69    70    62  
   63    69  
    0  
   65    66    67    68  
   66  
   67    68  
   68  
    0  
   70  
    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   0.203600   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   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   43   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   44   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760   0.245000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.723800   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.617900   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2800   0.1700  -0.795000   1.9250   1.7000   0.054801302  -2.445846770
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.7500   0.1050   0.729100   2.1120   1.8750   0.001000000  -0.126889456
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   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    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   270.000  1.508
   33    49   317.000  1.510
   33    39   268.000  1.529
   37    38   370.000  1.093
   37    42   500.000  1.261
   42    46   405.000  1.380
   46    49   549.000  1.340
   46    64   425.000  1.378
   49    52   410.000  1.444
   52    53   570.000  1.229
   52    56   415.000  1.368
   56    59   650.000  1.285
   59    64   445.000  1.380
   59    66   445.000  1.380
   64    65   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    45   434.000  1.010
   43    47   367.000  1.471
   47    48   340.000  1.090
   47    50   317.000  1.510
   47    60   268.000  1.529
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    62   320.000  1.410
   60    61   340.000  1.090
   60    69   320.000  1.410
   69    70   553.000  0.945
   62    63   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    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  114.43000
   29    33    49    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  113.58700
   33    37    42    65.00000  122.10100
   33    49    46    70.00000  124.00000
   33    49    52    70.00000  119.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    80.00000  111.20000
   37    42    46    75.00000  115.77100
   42    37    38    45.00000  120.55300
   42    46    49    70.00000  120.83400
   42    46    64    85.00000  113.56000
   46    49    52    70.00000  118.70000
   46    64    59    75.00000  119.57500
   46    64    65    35.00000  114.50000
   49    33    37    70.00000  110.51600
   49    52    53    80.00000  125.30000
   49    52    56    75.00000  112.93000
   52    56    59    75.00000  109.13600
   56    52    53    80.00000  126.08800
   56    59    64    75.00000  124.36500
   56    59    66    75.00000  124.36500
   59    64    65    35.00000  119.50000
   59    66    67    35.00000  119.50000
   59    66    68    35.00000  119.50000
   64    46    49    70.00000  124.03900
   66    59    64    85.00000  116.27000
   68    66    67    35.00000  109.00000
   39    33    37    70.00000  111.76100
   39    33    49    70.00000  112.02700
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   39    43    47    75.00000  113.01200
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    50    75.00000  110.06800
   43    47    60    80.00000  111.20000
   45    43    44    35.00000  109.50000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
   47    50    51    35.00000  117.00000
   47    50    54    70.00000  124.00000
   47    60    57    58.35000  112.70000
   47    60    61    37.50000  110.70000
   47    60    69    50.00000  109.50000
   50    47    48    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    60    70.00000  112.02700
   54    57    62    90.00000  110.39200
   57    54    55    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    69    50.00000  109.50000
   57    62    63    55.00000  108.50000
   60    47    48    37.50000  110.70000
   60    47    50    70.00000  112.02700
   60    57    58    37.50000  110.70000
   60    69    70    55.00000  108.50000
   69    60    61    35.00000  109.50000
   62    57    58    35.00000  109.50000
   62    57    60    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  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   0.00000  1.0 1.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    49    46   0.42700  1.0 1.0
   29    33    49    46  -0.70350 -1.0 2.0
   29    33    49    46  -0.43150  1.0 3.0
   29    33    49    52   0.09700  1.0 1.0
   29    33    49    52   0.15600 -1.0 2.0
   29    33    49    52  -0.50800  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   0.56750  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    37   -42    46   6.00000 -1.0 2.0
   33    49    52    53  -0.64400  1.0 1.0
   33    49    52    53   0.26850 -1.0 2.0
   33    49    52    56   1.50000 -1.0 2.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    45   0.17350  1.0 3.0
   33    39    43    47   0.47100  1.0 1.0
   37    33   -49    46  -0.28300  1.0 1.0
   37    33   -49    46   0.26700 -1.0 2.0
   37    33   -49    46  -0.63300  1.0 3.0
   37    33    49    52   0.09700  1.0 1.0
   37    33    49    52   0.15600 -1.0 2.0
   37    33    49    52  -0.50800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    43  -0.47300  1.0 1.0
   37    33    39    43   0.29700 -1.0 2.0
   37    33    39    43   0.83300  1.0 3.0
   37    42   -46    49   1.00000 -1.0 2.0
   37    42    46    64   1.00000 -1.0 2.0
   38    37    42    46   4.00000 -1.0 2.0
   42    46   -49    33   7.00000 -1.0 2.0
   42    46    49    52   7.00000 -1.0 2.0
   42    46    64    59   1.00000 -1.0 2.0
   42    46    64    65   1.00000 -1.0 2.0
   46    49    52    53   1.00000 -1.0 2.0
   46    49    52    56   0.50400  1.0 1.0
   46    49    52    56   1.60000 -1.0 2.0
   46    49    52    56  -0.01800  1.0 3.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    42   0.00000  1.0 1.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    43  -0.47300  1.0 1.0
   49    33    39    43   0.29700 -1.0 2.0
   49    33    39    43   0.83300  1.0 3.0
   49    46    64    59  -0.54500  1.0 1.0
   49    46    64    59   1.14150 -1.0 2.0
   49    46    64    65   1.00000 -1.0 2.0
   49    52   -56    59   1.50000 -1.0 2.0
   52    56    59    64   6.00000 -1.0 2.0
   52    56    59    66   6.00000 -1.0 2.0
   53    52    56    59   3.09300 -1.0 2.0
   56    59   -64    46   1.00000 -1.0 2.0
   56    59    64    65   1.50000 -1.0 2.0
   56    59    66    67   1.50000 -1.0 2.0
   56    59    66    68   1.50000 -1.0 2.0
   64    46    49    33   7.00000 -1.0 2.0
   64    46   -49    52   7.00000 -1.0 2.0
   64    59    66    67   1.00000 -1.0 2.0
   64    59    66    68   1.00000 -1.0 2.0
   66    59    64    46   1.00000 -1.0 2.0
   66    59    64    65   1.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.00000  1.0 1.0
   39    33    49    46   0.09850  1.0 1.0
   39    33    49    46   0.15250 -1.0 2.0
   39    33    49    46  -0.50650  1.0 3.0
   39    33    49    52   0.09700  1.0 1.0
   39    33    49    52   0.15600 -1.0 2.0
   39    33    49    52  -0.50800  1.0 3.0
   39    43    47    48   0.15000  1.0 3.0
   39    43    47    50   0.08000 -1.0 2.0
   39    43    47    60   0.47100  1.0 1.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    45   0.13050  1.0 3.0
   40    39    43    47   0.15000  1.0 3.0
   41    39    43    44   0.13050  1.0 3.0
   41    39    43    45   0.13050  1.0 3.0
   41    39    43    47   0.15000  1.0 3.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    54   0.80850  1.0 1.0
   43    47    50    54  -0.47300 -1.0 2.0
   43    47    50    54  -0.52300  1.0 3.0
   43    47    60    57   1.36600  1.0 1.0
   43    47    60    57  -0.11450 -1.0 2.0
   43    47    60    57   0.24250  1.0 3.0
   43    47    60    61   0.19200  1.0 3.0
   43    47    60    69   1.69300  1.0 1.0
   43    47    60    69  -0.48450 -1.0 2.0
   44    43    47    48   0.13050  1.0 3.0
   44    43    47    50   0.17350  1.0 3.0
   44    43    47    60   0.17350  1.0 3.0
   45    43    47    48   0.13050  1.0 3.0
   45    43    47    50   0.17350  1.0 3.0
   45    43    47    60   0.17350  1.0 3.0
   47    50    54    55   7.00000 -1.0 2.0
   47    50   -54    57   7.00000 -1.0 2.0
   47    60    69    70  -0.11600  1.0 1.0
   47    60    69    70  -0.09450 -1.0 2.0
   47    60    69    70   0.21250  1.0 3.0
   48    47    50    51   0.33100  1.0 3.0
   48    47    50    54   0.00000  1.0 1.0
   48    47    60    57   0.15000  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    69   0.23400  1.0 3.0
   50    47   -60    57   0.34400  1.0 1.0
   50    47   -60    57   0.09450 -1.0 2.0
   50    47   -60    57   0.11100  1.0 3.0
   50    47    60    61   0.15000  1.0 3.0
   50    47    60    69   1.05650  1.0 1.0
   50    47    60    69   0.15600 -1.0 2.0
   50    47    60    69   0.53150  1.0 3.0
   50    54    57    58   0.00000  1.0 1.0
   50    54   -57    60   0.09850  1.0 1.0
   50    54   -57    60   0.15250 -1.0 2.0
   50    54   -57    60  -0.50650  1.0 3.0
   50    54    57    62   0.67800  1.0 1.0
   50    54    57    62   0.47050 -1.0 2.0
   50    54    57    62  -0.62500  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   54    57   -60    47   0.34400  1.0 1.0
   54    57   -60    47   0.09450 -1.0 2.0
   54    57   -60    47   0.11100  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    69   1.05650  1.0 1.0
   54    57    60    69   0.15600 -1.0 2.0
   54    57    60    69   0.53150  1.0 3.0
   54    57    62    63  -0.07800  1.0 1.0
   54    57    62    63  -0.21500 -1.0 2.0
   54    57    62    63  -0.03150  1.0 3.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    60   0.00000  1.0 1.0
   55    54    57    62   0.00000  1.0 1.0
   57    60    69    70  -0.11600  1.0 1.0
   57    60    69    70  -0.09450 -1.0 2.0
   57    60    69    70   0.21250  1.0 3.0
   58    57    60    47   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    69   0.23400  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   60    47    50    51   0.00000  1.0 1.0
   60    47   -50    54   0.09850  1.0 1.0
   60    47   -50    54   0.15250 -1.0 2.0
   60    47   -50    54  -0.50650  1.0 3.0
   60    57    62    63  -0.11600  1.0 1.0
   60    57    62    63  -0.09450 -1.0 2.0
   60    57    62    63   0.21250  1.0 3.0
   61    60    69    70   0.19450  1.0 3.0
   62    57    60    47   0.86500  1.0 1.0
   62    57    60    47  -0.17500 -1.0 2.0
   62    57    60    47   0.20800  1.0 3.0
   62    57    60    61   0.23400  1.0 3.0
   62    57    60    69   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42  10.50000 -1.0 2.0
   42    64    46    49   1.10000 -1.0 2.0
   33    52    49    46   1.10000 -1.0 2.0
   49    56    52    53  10.50000 -1.0 2.0
   64    66    59    56  10.50000 -1.0 2.0
   65    59    64    46   1.00000 -1.0 2.0
   68    59    66    67   1.00000 -1.0 2.0
   47    51    50    54   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
END
