* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    120    186     351
    1     0 S   NP   _N1_     1    28.71221    96.24882   -20.28834
    2     1 S   H    _HN1     2     1.02957    84.68954    25.42313
    3     1 S   H    _H1_     3     1.02838    41.72842   148.48064
    4     1 S   H    _H2_     4     1.02777    82.62849   -83.88999
    5     1 S   CT   _CA1     5     1.50077   152.43794   150.82131
    6     5 S   HC   _HA1     6     1.09566   105.28798    57.45505
    7     5 S   CO3  _C1_     7     1.53738   112.49231   -62.94418
    8     7 S   O2Z  _O11     8     1.26360   115.00881   -41.93221
    9     7 S   O2Z  _O12     9     1.26216   114.93270   137.59058
   10     5 S   CT   _CB1    10     1.53086   107.49921   175.56915
   11    10 S   HC   HB11    11     1.09819   109.42236   -49.98359
   12    10 S   HC   HB12    12     1.09827   110.37676    66.61250
   13    10 S   CT   _CG1    13     1.52991   112.64355  -171.08000
   14    13 S   HC   HG11    14     1.09526   110.48479   -61.92051
   15    13 S   HC   HG12    15     1.09643   110.04121    57.25793
   16    13 S   C    _CD1    16     1.51746   112.28099   177.55215
   17    16 S   O    _OE1    17     1.22716   123.25621    -6.12865
   18    16 S   N    _N2_    18     1.38578   111.60251   174.29257
   19    18 S   H    _HN2    19     1.01595   119.01598     0.59413
   20    18 S   CT1  _CA2    20     1.46192   123.39852  -179.51705
   21    20 S   HC   _HA2    21     1.09727   109.44126   -12.11307
   22    20 S   C    _C2_    22     1.53416   108.25065  -127.82526
   23    22 S   O    _O2_    23     1.23011   122.24669  -145.50959
   24    20 S   CT   _CB2    32     1.53297   111.26918   110.06913
   25    24 S   HC   HB21    33     1.09475   109.65633    55.89359
   26    24 S   HC   HB22    34     1.09519   110.67592   173.97419
   27    22 S   N    _N3_    24     1.38509   113.36167    41.79867
   28    27 S   H    _HN3    25     1.01524   118.92560    -0.57573
   29    24 S   S    _SG2    35     1.82892   111.78183   -67.03467
   30    27 S   CT   _CA3    26     1.45453   123.47954   175.15677
   31    30 S   HC   HA31    27     1.09520   109.28552    23.48246
   32    30 S   HC   HA32    28     1.09497   107.11075   140.49484
   33    29 S   CT   _C18    36     1.84821    99.92592   140.22084
   34    33 S   HC   _H3_    37     1.09734   107.10871    37.02607
   35    30 S   CO3  _C3_    29     1.52921   113.07507  -100.02762
   36    35 S   O2Z  _O31    30     1.26405   115.39008   -44.77369
   37    35 S   O2Z  _O32    31     1.26352   114.99177   136.15138
   38    33 S   CA   _C13    38     1.52505   109.87375   -80.58884
   39    33 S   CT   _C17    51     1.55543   111.28863   154.37513
   40    39 S   HC   _H33    52     1.09700   110.97417    66.02383
   41    38 S   CA   _C4_    39     1.40665   121.79717   -67.21782
   42    41 S   HA   _H22    40     1.08756   120.56757     1.14021
   43    39 S   CA   _C12    53     1.51633   114.15410   -57.83875
   44    39 S   OH   _O19    68     1.43418   109.62789  -176.71753
   45    44 S   HO   _H35    69     0.97228   107.70018   -68.59531
   46    41 S   CA   _C8_    41     1.39647   120.92984  -178.84648
   47    46 S   HA   _H26    42     1.08669   119.08223   179.90935
   48    43 S   CA   _C6_    54     1.40062   120.10861   116.63814
   49    48 S   HA   _H24    55     1.08729   120.51855     0.17694
   50    46 S   CA   _C14    43     1.39519   119.14964    -0.53119
   51    48 S   CA   _C10    56     1.39689   120.56244  -179.54158
   52    51 S   HA   _H28    57     1.08745   119.21349   179.84934
   53    50 S   CA   _C9_    44     1.39565   121.18209    -0.02798
   54    53 S   HA   _H27    45     1.08661   121.82161   179.56299
   55    50 S   NO2  _N16    48     1.45533   119.48567   179.27368
   56    55 S   ON   _O17    49     1.23851   117.53166   -29.90803
   57    55 S   ON   _O18    50     1.23877   117.50672   151.00228
   58    51 S   CA   _C15    58     1.39764   120.66844    -0.09487
   59    38 S   CA   _C5_    46     1.40564   119.57553   113.28226
   60    59 S   HA   _H23    47     1.08784   120.32476    -0.40734
   61    58 S   CA   _C11    59     1.39544   119.15669    -0.07662
   62    61 S   HA   _H29    60     1.08542   121.94984  -179.84934
   63    58 S   OS   _O20    63     1.36937   114.95809   179.97202
   64    43 S   CA   _C7_    61     1.40255   121.41651   -63.13715
   65    64 S   HA   _H25    62     1.08758   120.25590    -0.67115
   66    63 S   CT   _C16    64     1.42271   116.77117  -179.92087
   67    66 S   HC   _H30    65     1.09428   107.75424   179.91153
   68    66 S   HC   _H31    66     1.09502   111.13785    62.15251
   69    66 S   HC   _H32    67     1.09501   111.13171   -62.32840
  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   9   5   4   3
  15   7   2   1   1  13  12   5   8   4  11   3   1   8   3   8
   4   7   7   3   6   3   3   1   1   9   1   1   5   3   5   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    53    59    60    39    40    43    48    64    44    45  
   38    41    59    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    47    50    53    54    59    60    39    40    43    44  
   40    43    48    49    51    61    64    65    44    45    41    59  
   43    48    64    44    45  
   42    46    47    50    53    59    60    55  
   46    47    50    59  
   48    49    51    52    58    61    62    64    65    44    45  
   45    48    64  
    0  
   47    50    53    54    59    55    56    57  
   50    53    55  
   49    51    52    58    61    64    65    63  
   51    52    58    64  
   53    54    59    60    55    56    57  
   52    58    61    62    64    63    66  
   58    61    63  
   54    59    60    55    56    57  
   59    60    55  
   56    57    59  
   57  
    0  
   61    62    64    65    63    66    67    68    69  
   60  
    0  
   62    64    65    63    66  
   64    65    63  
   66    67    68    69    64  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    53   469.000  1.400
   50    55   400.000  1.460
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   55    56   550.000  1.225
   55    57   550.000  1.225
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   320.000  1.410
   43    48   469.000  1.400
   43    64   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    58   469.000  1.400
   58    61   469.000  1.400
   58    63   450.000  1.364
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    65   367.000  1.080
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    59    53    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    50    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    50    53    63.00000  120.00000
   46    50    55    85.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    55    56    80.00000  117.50000
   50    55    57    80.00000  117.50000
   53    59    60    35.00000  120.00000
   59    38    41    63.00000  120.00000
   59    53    54    35.00000  120.00000
   55    50    53    85.00000  120.00000
   57    55    56    80.00000  125.30000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    48    70.00000  120.00000
   39    43    64    70.00000  120.00000
   39    44    45    55.00000  108.50000
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    51    63.00000  120.00000
   43    64    61    63.00000  120.00000
   43    64    65    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    58    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    58    61    63.00000  120.00000
   51    58    63    70.00000  120.00000
   58    51    52    35.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    64    63.00000  120.00000
   58    63    66    75.00000  111.00000
   61    64    65    35.00000  120.00000
   64    43    48    63.00000  120.00000
   64    61    62    35.00000  120.00000
   63    58    61    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    43    90.00000  112.51600
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   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
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    59    53   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    48   0.04150 -1.0 2.0
   33    39    43    64   0.04150 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.43200  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.94300  1.0 1.0
   38    33    39    43   1.32550 -1.0 2.0
   38    33    39    43  -0.07100  1.0 3.0
   38    33    39    44   1.13150  1.0 1.0
   38    33    39    44  -1.01400 -1.0 2.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    50   3.62500 -1.0 2.0
   41    38    59    53   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    46   -50    53   3.62500 -1.0 2.0
   41    46    50    55   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    50   3.62500 -1.0 2.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50    53    59   3.62500 -1.0 2.0
   46    50    55    56   0.69950 -1.0 2.0
   46    50    55    57   0.69950 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    53   -59    38   3.62500 -1.0 2.0
   50    53    59    60   3.62500 -1.0 2.0
   53    50    55    56   0.69950 -1.0 2.0
   53    50    55    57   0.69950 -1.0 2.0
   54    53    59    38   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    46   3.62500 -1.0 2.0
   55    50    53    54   3.62500 -1.0 2.0
   55    50    53    59   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    43    48    49   3.62500 -1.0 2.0
   39    43    48    51   3.62500 -1.0 2.0
   39    43    64    61   3.62500 -1.0 2.0
   39    43    64    65   3.62500 -1.0 2.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    43    64   0.00000  1.0 1.0
   40    39    44    45   0.19450  1.0 3.0
   43    39    44    45   0.31900  1.0 1.0
   43    39    44    45  -0.11800 -1.0 2.0
   43    39    44    45   0.38750  1.0 3.0
   43    48    51    52   3.62500 -1.0 2.0
   43    48    51    58   3.62500 -1.0 2.0
   48    43    64    61   3.62500 -1.0 2.0
   48    43    64    65   3.62500 -1.0 2.0
   48    51   -58    61   3.62500 -1.0 2.0
   48    51    58    63   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    58   3.62500 -1.0 2.0
   51    58    61    62   3.62500 -1.0 2.0
   51    58    61    64   3.62500 -1.0 2.0
   51    58    63    66   1.63200 -1.0 2.0
   52    51    58    61   3.62500 -1.0 2.0
   52    51    58    63   3.62500 -1.0 2.0
   58    61   -64    43   3.62500 -1.0 2.0
   58    61    64    65   3.62500 -1.0 2.0
   58    63    66    67   0.08050  1.0 3.0
   58    63    66    68   0.08050  1.0 3.0
   58    63    66    69   0.08050  1.0 3.0
   61    58    63    66   1.63200 -1.0 2.0
   62    61    64    43   3.62500 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   64    43    48    49   3.62500 -1.0 2.0
   64    43   -48    51   3.62500 -1.0 2.0
   63    58    61    62   3.62500 -1.0 2.0
   63    58    61    64   3.62500 -1.0 2.0
   44    39    43    48   0.14300 -1.0 2.0
   44    39    43    48   0.00300  1.0 3.0
   44    39    43    64   0.14300 -1.0 2.0
   44    39    43    64   0.00300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   50    47    46    41   1.10000 -1.0 2.0
   53    55    50    46   4.00000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   53    60    59    38   1.10000 -1.0 2.0
   57    50    55    56  10.50000 -1.0 2.0
   48    64    43    39   4.00000 -1.0 2.0
   51    49    48    43   1.10000 -1.0 2.0
   58    52    51    48   1.10000 -1.0 2.0
   61    63    58    51   4.00000 -1.0 2.0
   64    62    61    58   1.10000 -1.0 2.0
   61    65    64    43   1.10000 -1.0 2.0
END
