* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    234     434
    1     0 S   NP   _N1_     1    28.74073    96.42053   -22.95852
    2     1 S   H    _HN1     2     1.02787   102.22120   -92.68159
    3     1 S   H    _H1_     3     1.02949    73.11961    13.04895
    4     1 S   H    _H2_     4     1.02828    38.56071   163.87698
    5     1 S   CT   _CA1     5     1.50113   141.25079   114.83027
    6     5 S   HC   _HA1     6     1.09572   105.19513    89.49630
    7     5 S   CO3  _C1_     7     1.53785   112.45073   -30.75702
    8     7 S   O2Z  _O11     8     1.26374   115.00716   -42.84923
    9     7 S   O2Z  _O12     9     1.26236   114.94233   136.26054
   10     5 S   CT   _CB1    10     1.53071   107.41909  -152.50998
   11    10 S   HC   HB11    11     1.09835   109.38460   -49.52688
   12    10 S   HC   HB12    12     1.09813   110.44477    67.08076
   13    10 S   CT   _CG1    13     1.52997   112.61112  -170.48715
   14    13 S   HC   HG11    14     1.09580   110.65599   -65.61184
   15    13 S   HC   HG12    15     1.09668   109.77662    53.63570
   16    13 S   C    _CD1    16     1.51797   112.15995   174.11191
   17    16 S   O    _OE1    17     1.22739   123.24425     7.90227
   18    16 S   N    _N2_    18     1.38643   111.71054  -172.21434
   19    18 S   H    _HN2    19     1.01572   118.99416     1.64758
   20    18 S   CT1  _CA2    20     1.46250   123.39960   177.76813
   21    20 S   HC   _HA2    21     1.09743   109.32414     3.96744
   22    20 S   C    _C2_    22     1.53604   108.59339  -111.47266
   23    22 S   O    _O2_    23     1.23055   122.33629  -147.88796
   24    20 S   CT   _CB2    32     1.53537   111.66976   125.89632
   25    24 S   HC   HB21    33     1.09509   109.43928    56.85467
   26    24 S   HC   HB22    34     1.09262   109.57205   175.47779
   27    22 S   N    _N3_    24     1.38353   113.72244    39.56211
   28    27 S   H    _HN3    25     1.01570   119.58085    -3.23991
   29    24 S   S    _SG2    35     1.83149   110.89259   -63.44379
   30    27 S   CT   _CA3    26     1.45282   123.22696   177.16828
   31    30 S   HC   HA31    27     1.09548   107.50325   -64.84304
   32    30 S   HC   HA32    28     1.09556   107.99764    51.60176
   33    29 S   CT   _C11    36     1.88171   103.18452  -169.95729
   34    30 S   CO3  _C3_    29     1.52963   114.07346   173.60613
   35    34 S   O2Z  _O31    30     1.26377   116.07330    -0.61070
   36    34 S   O2Z  _O32    31     1.26427   114.41366   179.45106
   37    33 S   CT   _C10    37     1.59033   109.35545  -166.75796
   38    37 S   HC   _H5_    38     1.10199   103.48778   171.67289
   39    33 S   CT   _C12    62     1.59213   109.74005    71.47921
   40    39 S   OM   _O34    63     1.32890   110.10262  -165.86116
   41    39 S   HC   _H6_    64     1.09818   106.88858   -38.83235
   42    33 S   CT   _C15    71     1.55639   105.95532   -47.67108
   43    42 S   HC   _H18    72     1.09671   111.61277    78.50347
   44    42 S   HC   _H19    73     1.09448   113.10035   -41.92327
   45    42 S   HC   _H20    74     1.09652   111.30679  -162.39748
   46    37 S   CT   _C9_    39     1.55022   117.03220    57.24247
   47    46 S   HC   _H4_    40     1.09746   109.65298   -71.37924
   48    46 S   CT   _C8_    41     1.52111   109.86475   165.60180
   49    48 S   HC   _H3_    42     1.10113   109.79213   -56.18204
   50    48 S   CM   _C17    43     1.48287    98.41042  -166.79720
   51    48 S   CT   _C7_    50     1.51694   111.52089    63.82901
   52    51 S   HC   _H13    51     1.09638   110.22509  -178.93210
   53    51 S   HC   _H14    52     1.09567   111.27215    62.99357
   54    50 S   CO4  _C16    44     1.48646   105.86373    33.19266
   55    54 S   O    _O36    45     1.21687   127.22220   165.08200
   56    50 S   CM   _C18    47     1.33366   130.81717  -145.10473
   57    56 S   HC   _H21    48     1.08453   121.02983    -1.08083
   58    56 S   HC   _H22    49     1.08512   121.45674   178.96827
   59    51 S   CT   _C6_    53     1.53696   108.57384   -59.25162
   60    59 S   HC   _H11    54     1.09731   109.12081   179.12464
   61    59 S   HC   _H12    55     1.09761   107.49331   -66.32338
   62    46 S   OS   _O35    46     1.43175   116.87251    49.24592
   63    37 S   CT   _C5_    56     1.59320   116.11075   -73.28546
   64    63 S   CT   _C14    57     1.55303   110.11359   -50.38624
   65    64 S   HC   _H7_    58     1.09688   109.30613   171.99499
   66    63 S   CT   _C4_    67     1.55402   114.72217    70.78722
   67    66 S   HC   _H8_    68     1.09055   113.33165   -72.08055
   68    66 S   HC   _H9_    69     1.09756   110.26655   170.05711
   69    66 S   HC   _H10    70     1.09233   113.19301    50.89055
   70    64 S   CT   _C13    59     1.53999   112.96498    51.44139
   71    70 S   HC   _H15    60     1.10068   108.62097  -177.52425
   72    70 S   HC   _H16    61     1.09647   109.07792    68.21967
   73    64 S   OH   _O33    65     1.42928   111.08920   -72.22719
   74    73 S   HO   _H17    66     0.97539   107.10275    83.74437
  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  13   5   4   3
  20   2   1   1  28  10  14   6   5   6   2   1   1  15   7  15
   8  10  11   5   4   5   2   3   1   1  11   4   3   1  11  10
   6   5   2   1   1   4   2   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    63    70    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    62    59    63    64    70    71    72    39    40    41    66    42    43    44    45  
   35    36  
   36  
    0  
   38    46    47    48    49    50    54    62    51    59    60    61    63    64    65    70    39    40    41    73    66    67    68    69    42    43    44    45  
   46    47    48    62    59    63    64    39    66    42  
   40    41    73    42    43    44    45    46    63    64    65    70    71    72  
   41    42    64    70    71    72  
   42    64    70    71    72  
   43    44    45    46    63    70  
   44    45  
   45  
    0  
   47    48    49    50    54    55    62    56    51    52    53    59    63    64    66  
   48    49    50    54    62    51    63  
   49    50    54    55    62    56    57    58    51    52    53    59    60    61    63  
   50    54    62    56    51    52    53    59  
   54    55    62    56    57    58    51    52    53    59  
   52    53    59    60    61    63    64    66    54    56    62  
   53    59    60    61    63  
   59    60    61    63  
   55    62    56    57    58  
   62    56  
   57    58    62  
   58  
    0  
   60    61    63    64    65    70    73    66    67    68    69  
   61    63    64    66  
   63    64    66  
   63  
   64    65    70    71    72    73    74    66    67    68    69  
   65    70    71    72    73    74    66    67    68    69  
   70    71    72    73    74    66  
   67    68    69    70    73  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73  
   73  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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   268.000  1.529
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    46   268.000  1.529
   37    63   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    62   320.000  1.410
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    51   268.000  1.529
   50    54   320.000  1.462
   50    56   549.000  1.340
   54    55   570.000  1.229
   54    62   214.000  1.327
   56    57   340.000  1.080
   56    58   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    39   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   73    74   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    37    63    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    58.35000  112.70000
   37    46    62    50.00000  109.50000
   37    63    59    58.35000  112.70000
   37    63    64    58.35000  112.70000
   37    63    66    58.35000  112.70000
   46    37    38    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    70.00000  112.02700
   46    48    51    58.35000  112.70000
   46    62    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    50    54    65.00000  116.34900
   48    50    56    70.00000  124.00000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    59    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    54    55    80.00000  123.72100
   50    54    62    90.00000  111.29400
   50    56    57    35.00000  120.00000
   50    56    58    35.00000  120.00000
   62    46    47    35.00000  109.50000
   62    46    48    50.00000  109.50000
   62    54    55    83.00000  123.40000
   56    50    54    65.00000  118.96000
   58    56    57    35.00000  117.00000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.02700
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    63    58.35000  112.70000
   53    51    52    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    53    37.50000  110.70000
   59    63    64    58.35000  112.70000
   59    63    66    58.35000  112.70000
   61    59    60    33.00000  107.80000
   63    37    38    37.50000  110.70000
   63    37    46    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    50.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    39    58.35000  112.70000
   64    73    74    55.00000  108.50000
   70    64    65    37.50000  110.70000
   70    39    40    50.00000  109.50000
   70    39    41    37.50000  110.70000
   72    70    71    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    70    71    37.50000  110.70000
   39    70    72    37.50000  110.70000
   41    39    40    45.00000  125.66300
   73    64    65    35.00000  109.50000
   73    64    70    50.00000  109.50000
   66    63    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    39    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    37    63   0.44750  1.0 1.0
   29    33    37    63  -0.17800 -1.0 2.0
   29    33    37    63   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.56750  1.0 1.0
   33    37    46    48  -0.07550 -1.0 2.0
   33    37    46    48   0.20000  1.0 3.0
   33    37    46    62   0.62750  1.0 1.0
   33    37    46    62  -0.30950 -1.0 2.0
   33    37    46    62   0.27300  1.0 3.0
   33    37    63    59   0.56750  1.0 1.0
   33    37    63    59  -0.07550 -1.0 2.0
   33    37    63    59   0.20000  1.0 3.0
   33    37    63    64   0.56750  1.0 1.0
   33    37    63    64  -0.07550 -1.0 2.0
   33    37    63    64   0.20000  1.0 3.0
   33    37    63    66   0.56750  1.0 1.0
   33    37    63    66  -0.07550 -1.0 2.0
   33    37    63    66   0.20000  1.0 3.0
   37    33    39    70   0.56750  1.0 1.0
   37    33    39    70  -0.07550 -1.0 2.0
   37    33    39    70   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.15000  1.0 3.0
   37    46    48    50   0.34400  1.0 1.0
   37    46    48    50   0.09450 -1.0 2.0
   37    46    48    50   0.11100  1.0 3.0
   37    46    48    51   0.56750  1.0 1.0
   37    46    48    51  -0.07550 -1.0 2.0
   37    46    48    51   0.20000  1.0 3.0
   37    46    62    54  -0.25900  1.0 1.0
   37    46    62    54  -0.47000 -1.0 2.0
   37    46    62    54   0.11750  1.0 3.0
   37    63    64    65   0.15000  1.0 3.0
   37    63   -64    70   0.56750  1.0 1.0
   37    63   -64    70  -0.07550 -1.0 2.0
   37    63   -64    70   0.20000  1.0 3.0
   37    63    64    73   0.86500  1.0 1.0
   37    63    64    73  -0.17500 -1.0 2.0
   37    63    64    73   0.20800  1.0 3.0
   37    63    66    67   0.15000  1.0 3.0
   37    63    66    68   0.15000  1.0 3.0
   37    63    66    69   0.15000  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    62   0.23400  1.0 3.0
   38    37    63    59   0.15000  1.0 3.0
   38    37    63    64   0.15000  1.0 3.0
   38    37    63    66   0.15000  1.0 3.0
   46    37    63    59   0.56750  1.0 1.0
   46    37    63    59  -0.07550 -1.0 2.0
   46    37    63    59   0.20000  1.0 3.0
   46    37    63    64   0.56750  1.0 1.0
   46    37    63    64  -0.07550 -1.0 2.0
   46    37    63    64   0.20000  1.0 3.0
   46    37    63    66   0.56750  1.0 1.0
   46    37    63    66  -0.07550 -1.0 2.0
   46    37    63    66   0.20000  1.0 3.0
   46    48   -50    54   0.09700  1.0 1.0
   46    48   -50    54   0.15600 -1.0 2.0
   46    48   -50    54  -0.50800  1.0 3.0
   46    48    50    56   0.09850  1.0 1.0
   46    48    50    56   0.15250 -1.0 2.0
   46    48    50    56  -0.50650  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48   -51    59   0.56750  1.0 1.0
   46    48   -51    59  -0.07550 -1.0 2.0
   46    48   -51    59   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    62    54   0.08050  1.0 3.0
   48    46   -62    54  -0.25900  1.0 1.0
   48    46   -62    54  -0.47000 -1.0 2.0
   48    46   -62    54   0.11750  1.0 3.0
   48    50    54    55  -0.64400  1.0 1.0
   48    50    54    55   0.26850 -1.0 2.0
   48    50   -54    62  -0.15000  1.0 1.0
   48    50   -54    62   0.89550 -1.0 2.0
   48    50   -54    62  -0.06900  1.0 3.0
   48    50    56    57   7.00000 -1.0 2.0
   48    50    56    58   7.00000 -1.0 2.0
   48    51    59    60   0.15000  1.0 3.0
   48    51    59    61   0.15000  1.0 3.0
   48    51    59    63   0.56750  1.0 1.0
   48    51    59    63  -0.07550 -1.0 2.0
   48    51    59    63   0.20000  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    50    56   0.00000  1.0 1.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    59   0.34400  1.0 1.0
   50    48    51    59   0.09450 -1.0 2.0
   50    48    51    59   0.11100  1.0 3.0
   50    54   -62    46   2.00000 -1.0 2.0
   54    50    56    57   7.00000 -1.0 2.0
   54    50    56    58   7.00000 -1.0 2.0
   55    54    62    46   3.00000 -1.0 2.0
   62    46    48    49   0.23400  1.0 3.0
   62    46   -48    50   0.61850  1.0 1.0
   62    46   -48    50  -0.22750 -1.0 2.0
   62    46   -48    50   0.15300  1.0 3.0
   62    46    48    51   0.62750  1.0 1.0
   62    46    48    51  -0.30950 -1.0 2.0
   62    46    48    51   0.27300  1.0 3.0
   56    50    54    55   1.00000 -1.0 2.0
   56    50    54    62  -0.56150  1.0 1.0
   56    50    54    62   2.19150 -1.0 2.0
   51    48    50    54   0.09700  1.0 1.0
   51    48    50    54   0.15600 -1.0 2.0
   51    48    50    54  -0.50800  1.0 3.0
   51    48    50    56   0.09850  1.0 1.0
   51    48    50    56   0.15250 -1.0 2.0
   51    48    50    56  -0.50650  1.0 3.0
   51    59   -63    37   0.56750  1.0 1.0
   51    59   -63    37  -0.07550 -1.0 2.0
   51    59   -63    37   0.20000  1.0 3.0
   51    59    63    64   0.56750  1.0 1.0
   51    59    63    64  -0.07550 -1.0 2.0
   51    59    63    64   0.20000  1.0 3.0
   51    59    63    66   0.56750  1.0 1.0
   51    59    63    66  -0.07550 -1.0 2.0
   51    59    63    66   0.20000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    63   0.15000  1.0 3.0
   53    51    59    60   0.15000  1.0 3.0
   53    51    59    61   0.15000  1.0 3.0
   53    51    59    63   0.15000  1.0 3.0
   59    63    64    65   0.15000  1.0 3.0
   59    63    64    70   0.56750  1.0 1.0
   59    63    64    70  -0.07550 -1.0 2.0
   59    63    64    70   0.20000  1.0 3.0
   59    63    64    73   0.86500  1.0 1.0
   59    63    64    73  -0.17500 -1.0 2.0
   59    63    64    73   0.20800  1.0 3.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    68   0.15000  1.0 3.0
   59    63    66    69   0.15000  1.0 3.0
   60    59    63    37   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   61    59    63    37   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   63    37    46    47   0.15000  1.0 3.0
   63    37   -46    48   0.56750  1.0 1.0
   63    37   -46    48  -0.07550 -1.0 2.0
   63    37   -46    48   0.20000  1.0 3.0
   63    37    46    62   0.62750  1.0 1.0
   63    37    46    62  -0.30950 -1.0 2.0
   63    37    46    62   0.27300  1.0 3.0
   63    64    70    71   0.15000  1.0 3.0
   63    64    70    72   0.15000  1.0 3.0
   63    64    70    39   0.56750  1.0 1.0
   63    64    70    39  -0.07550 -1.0 2.0
   63    64    70    39   0.20000  1.0 3.0
   63    64    73    74  -0.11600  1.0 1.0
   63    64    73    74  -0.09450 -1.0 2.0
   63    64    73    74   0.21250  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    70   -39    33   0.56750  1.0 1.0
   64    70   -39    33  -0.07550 -1.0 2.0
   64    70   -39    33   0.20000  1.0 3.0
   64    70    39    40   0.62750  1.0 1.0
   64    70    39    40  -0.30950 -1.0 2.0
   64    70    39    40   0.27300  1.0 3.0
   64    70    39    41   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    39   0.15000  1.0 3.0
   65    64    73    74   0.19450  1.0 3.0
   70    64    73    74  -0.11600  1.0 1.0
   70    64    73    74  -0.09450 -1.0 2.0
   70    64    73    74   0.21250  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.23400  1.0 3.0
   71    70    39    41   0.15000  1.0 3.0
   72    70    39    33   0.15000  1.0 3.0
   72    70    39    40   0.23400  1.0 3.0
   72    70    39    41   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46   0.56750  1.0 1.0
   39    33    37    46  -0.07550 -1.0 2.0
   39    33    37    46   0.20000  1.0 3.0
   39    33   -37    63   0.56750  1.0 1.0
   39    33   -37    63  -0.07550 -1.0 2.0
   39    33   -37    63   0.20000  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    45   0.15000  1.0 3.0
   73    64    70    71   0.23400  1.0 3.0
   73    64    70    72   0.23400  1.0 3.0
   73    64    70    39   0.86500  1.0 1.0
   73    64    70    39  -0.17500 -1.0 2.0
   73    64    70    39   0.20800  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.86500  1.0 1.0
   66    63    64    73  -0.17500 -1.0 2.0
   66    63    64    73   0.20800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    37    63   0.56750  1.0 1.0
   42    33    37    63  -0.07550 -1.0 2.0
   42    33    37    63   0.20000  1.0 3.0
   42    33    39    70   0.56750  1.0 1.0
   42    33    39    70  -0.07550 -1.0 2.0
   42    33    39    70   0.20000  1.0 3.0
   42    33    39    40   0.62750  1.0 1.0
   42    33    39    40  -0.30950 -1.0 2.0
   42    33    39    40   0.27300  1.0 3.0
   42    33    39    41   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   48    54    50    56   1.10000 -1.0 2.0
   50    62    54    55  10.50000 -1.0 2.0
   57    58    56    50   1.10000 -1.0 2.0
END
