* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    124    188     356
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02071   104.15928   -35.90271
    3     1 S   H    _H1_     3     1.02088    69.40283    69.10124
    4     1 S   H    _H2_     4     1.02081    43.71247  -138.24919
    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   _C11    36     1.81351    98.15339   161.76548
   34    33 S   HC   _H5_    37     1.09550   107.84125    41.36204
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.52133   114.55569   -79.96526
   39    38 S   HC   _H4_    39     1.09485   113.90977    75.19587
   40    38 S   CO   _C9_    40     1.53027   100.28769  -163.97777
   41    40 S   HC   _H3_    41     1.11273   110.26752   -80.26549
   42    38 S   OS   _O35    64     1.42635   111.07937   -48.22929
   43    40 S   N*   _N6_    42     1.50901   114.94948   161.22373
   44    40 S   OS   _O33    56     1.44403   105.80803    36.02754
   45    42 S   P2   _P1_    65     1.63474   117.68552   159.98408
   46    45 S   O2Z  _O37    66     1.51651   106.75688   155.21351
   47    45 S   O2Z  _O36    67     1.51674   108.10311   -75.93998
   48    45 S   HP   _H12    68     1.41076    97.25348    40.01905
   49    43 S   CRAB _C8_    43     1.36993   126.04734    91.44018
   50    49 S   HA   _H8_    44     1.08122   122.24672    -0.15195
   51    33 S   CT   _C12    57     1.52817   113.75833   163.86667
   52    51 S   HC   _H6_    58     1.09647   111.84000    40.87634
   53    49 S   NNA  _N7_    45     1.31682   112.14179   179.80416
   54    51 S   CT   _C13    59     1.52024   113.99199   -83.98638
   55    54 S   HC   _H9_    60     1.09188   110.26311    60.01650
   56    54 S   HC   _H10    61     1.09251   110.25650   -60.97271
   57    53 S   C56B _C6_    46     1.37219   104.84123    -0.01978
   58    54 S   OH   _O34    62     1.41857   108.75609   179.52522
   59    58 S   HO   _H11    63     0.97157   106.95010  -180.00000
   60    43 S   C56A _C7_    47     1.36529   126.87157   -88.77233
   61    60 S   NB   _N5_    48     1.34163   127.59436     0.18131
   62    61 S   CQ   _C4_    49     1.35085   110.48908  -179.96044
   63    62 S   HA   _H7_    50     1.08513   115.67337   179.96044
   64    62 S   NB   _N4_    51     1.35483   128.81382    -0.04846
   65    57 S   CA   _C5_    52     1.39138   132.35154   179.98022
   66    65 S   NND  _N8_    53     1.40468   120.72497     0.00000
   67    66 S   H    _H13    54     1.00258   119.47669    -3.12856
   68    66 S   H    _H14    55     1.00257   119.44204  -176.86631
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  15   7  14   6   7  10   8   3   2   1   1
   6   3   6   4   6   4   3   2   8   1   1   6   4   4   2   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    51    52    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    51    52    54    55    56    58    42    45  
   38    39    40    44    51    52    54    42  
   36    37  
   37  
    0  
   39    40    41    43    49    60    44    51    52    54    42    45    46    47    48  
   40    41    43    44    51    42    45  
   41    43    49    50    53    57    60    61    44    51    52    54    42    45  
   43    49    60    44    51    42  
   45    46    47    48    43    44    51  
   49    50    53    57    60    61    62    65    44    51  
   51    52    54    55    56    58    49    60  
   46    47    48  
   47    48  
   48  
    0  
   50    53    57    60    61    65  
   53    57    60  
   52    54    55    56    58    59  
   54    55    56    58  
   57    60    61    64    65    66  
   55    56    58    59  
   56    58    59  
   58    59  
   60    61    62    64    65    66    67    68  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65  
   63    64    65    66  
   64    65  
   65    66    67    68  
   66    67    68  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.7400   0.2000   1.352500   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.5000   0.0300  -0.002500   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.370000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   275.000  1.479
   40    44   320.000  1.380
   43    49   440.000  1.371
   43    60   436.000  1.374
   49    50   367.000  1.080
   49    53   529.000  1.304
   53    57   414.000  1.391
   57    60   447.000  1.419
   57    65   469.000  1.404
   60    61   461.000  1.354
   61    62   502.000  1.324
   62    63   367.000  1.080
   62    64   502.000  1.324
   64    65   483.000  1.339
   65    66   481.000  1.340
   66    67   434.000  1.010
   66    68   434.000  1.010
   44    51   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   320.000  1.410
   58    59   553.000  0.945
   42    45   230.000  1.697
   45    46   525.000  1.480
   45    47   525.000  1.480
   45    48   210.000  1.425
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    51    44    50.00000  109.50000
   33    51    52    37.50000  110.70000
   33    51    54    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    43    75.00000  107.44000
   38    40    44    90.00000  108.56700
   38    42    45   100.00000  120.50000
   40    38    39    45.00000  108.72000
   40    43    49    70.00000  128.80000
   40    43    60    70.00000  125.80000
   40    44    51    60.00000  109.50000
   43    40    41    55.00000  103.44000
   43    49    50    35.00000  123.05000
   43    49    53    70.00000  113.90000
   43    60    57    70.00000  106.20000
   43    60    61    70.00000  126.20000
   49    53    57    70.00000  103.80000
   53    49    50    35.00000  123.05000
   53    57    60    70.00000  110.40000
   53    57    65    70.00000  132.40000
   57    60    61    70.00000  127.70000
   57    65    64    70.00000  117.30000
   57    65    66    70.00000  123.50000
   60    43    49    70.00000  105.40000
   60    61    62    70.00000  111.00000
   61    62    63    35.00000  115.45000
   61    62    64    70.00000  129.10000
   62    64    65    70.00000  118.60000
   64    62    63    35.00000  115.45000
   64    65    66    70.00000  119.30000
   65    57    60    85.00000  116.20000
   65    66    67    35.00000  120.00000
   65    66    68    35.00000  120.00000
   68    66    67    35.00000  120.00000
   44    40    41    35.00000  109.50000
   44    40    43   105.00000  106.22000
   44    51    52    35.00000  109.50000
   44    51    54    50.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    58    50.00000  109.50000
   54    51    52    37.50000  110.70000
   54    58    59    55.00000  108.50000
   56    54    55    33.00000  107.80000
   58    54    55    35.00000  109.50000
   58    54    56    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.38000
   42    45    46   100.00000  108.23000
   42    45    47   100.00000  108.23000
   42    45    48    60.00000   98.85000
   47    45    46   140.00000  119.90000
   48    45    46    55.00000  110.24000
   48    45    47    55.00000  110.24000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    44   0.56750  1.0 1.0
   29    33    51    44  -0.07550 -1.0 2.0
   29    33    51    44   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    54   0.44750  1.0 1.0
   29    33    51    54  -0.17800 -1.0 2.0
   29    33    51    54   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43  -0.64600  1.0 1.0
   33    38    40    43   0.58400 -1.0 2.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    42    45  -2.65550  1.0 1.0
   33    38    42    45  -0.22350 -1.0 2.0
   33    38    42    45   0.24150  1.0 3.0
   33    51    54    55   0.15000  1.0 3.0
   33    51    54    56   0.15000  1.0 3.0
   33    51    54    58   0.86500  1.0 1.0
   33    51    54    58  -0.17500 -1.0 2.0
   33    51    54    58   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    44   0.23400  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    54   0.15000  1.0 3.0
   38    33   -51    44   0.62750  1.0 1.0
   38    33   -51    44  -0.30950 -1.0 2.0
   38    33   -51    44   0.27300  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    54   0.56750  1.0 1.0
   38    33    51    54  -0.07550 -1.0 2.0
   38    33    51    54   0.20000  1.0 3.0
   38    40    43    49   1.10250  1.0 1.0
   38    40    43    49   0.01650 -1.0 2.0
   38    40    43    49   0.39100  1.0 3.0
   38    40    43    60   1.10250  1.0 1.0
   38    40    43    60   0.01650 -1.0 2.0
   38    40    43    60   0.39100  1.0 3.0
   38    40   -44    51   0.06250  1.0 1.0
   38    40   -44    51  -0.01100 -1.0 2.0
   38    40   -44    51   0.28050  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    47   0.00000  1.0 1.0
   38    42    45    48   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    42    45   0.03000  1.0 3.0
   40    38    42    45  -2.65550  1.0 1.0
   40    38    42    45  -0.22350 -1.0 2.0
   40    38    42    45   0.24150  1.0 3.0
   40    43    49    50   3.62500 -1.0 2.0
   40    43    49    53   3.62500 -1.0 2.0
   40    43    60    57   0.81400  1.0 1.0
   40    43    60    57   1.55550 -1.0 2.0
   40    43    60    61   3.62500 -1.0 2.0
   40    44   -51    33   0.06250  1.0 1.0
   40    44   -51    33  -0.01100 -1.0 2.0
   40    44   -51    33   0.28050  1.0 3.0
   40    44    51    52   0.37050  1.0 3.0
   40    44    51    54   0.06250  1.0 1.0
   40    44    51    54  -0.01100 -1.0 2.0
   40    44    51    54   0.28050  1.0 3.0
   41    40    43    49   0.00000  1.0 1.0
   41    40    43    60   0.00000  1.0 1.0
   41    40    44    51   0.37050  1.0 3.0
   43    40    44    51  -2.37750  1.0 1.0
   43    40    44    51  -0.08150 -1.0 2.0
   43    40    44    51   0.59000  1.0 3.0
   43    49   -53    57   3.62500 -1.0 2.0
   43    60    61    62   3.62500 -1.0 2.0
   49    43   -60    57   0.70250  1.0 1.0
   49    43   -60    57   1.56150 -1.0 2.0
   49    43    60    61   3.62500 -1.0 2.0
   49    53   -57    60   3.62500 -1.0 2.0
   49    53    57    65   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57   -60    43   3.62500 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    65    64   3.62500 -1.0 2.0
   53    57    65    66   3.62500 -1.0 2.0
   57    60    61    62   3.62500 -1.0 2.0
   57    65    66    67   0.70000 -1.0 2.0
   57    65    66    68   0.70000 -1.0 2.0
   60    43    49    50   3.62500 -1.0 2.0
   60    43   -49    53   3.62500 -1.0 2.0
   60    57    65    64   3.62500 -1.0 2.0
   60    57    65    66   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61   -62    64   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   62    64   -65    57   3.62500 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    65    66    67   0.70000 -1.0 2.0
   64    65    66    68   0.70000 -1.0 2.0
   65    57    60    43   3.00000 -1.0 2.0
   65    57   -60    61   3.62500 -1.0 2.0
   44    40    43    49   0.10350  1.0 1.0
   44    40    43    49  -0.15350 -1.0 2.0
   44    40    43    60   0.10350  1.0 1.0
   44    40    43    60  -0.15350 -1.0 2.0
   44    51    54    55   0.23400  1.0 3.0
   44    51    54    56   0.23400  1.0 3.0
   44    51    54    58   3.69350  1.0 1.0
   44    51    54    58  -1.82950 -1.0 2.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   3.97050  1.0 1.0
   51    33    38    42   0.62750  1.0 1.0
   51    33    38    42  -0.30950 -1.0 2.0
   51    33    38    42   0.27300  1.0 3.0
   51    54    58    59  -0.11600  1.0 1.0
   51    54    58    59  -0.09450 -1.0 2.0
   51    54    58    59   0.21250  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.23400  1.0 3.0
   55    54    58    59   0.19450  1.0 3.0
   56    54    58    59   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43  -0.86350  1.0 1.0
   42    38    40    43   0.04750 -1.0 2.0
   42    38    40    44   1.11900  1.0 1.0
   42    38    40    44  -1.16350 -1.0 2.0
   42    38    40    44  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   49    60    43    40   4.00000 -1.0 2.0
   53    50    49    43   1.10000 -1.0 2.0
   60    65    57    53   4.00000 -1.0 2.0
   57    61    60    43   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   64    66    65    57   4.00000 -1.0 2.0
   68    65    66    67   1.00000 -1.0 2.0
END
