* LIGAND DATABASE FILE (OPLS2005)
*
001      75    75    131    199     391
    1     0 S   NP   _N1_     1    28.95095    94.52363   -22.59849
    2     1 S   H    _HN1     2     1.02805    85.23435   -25.59627
    3     1 S   H    _H1_     3     1.02966    29.50700   113.23041
    4     1 S   H    _H2_     4     1.02823    97.30653  -133.43209
    5     1 S   CT   _CA1     5     1.50417   138.06459    91.52404
    6     5 S   HC   _HA1     6     1.09678   104.64302    73.95403
    7     5 S   CO3  _C1_     7     1.54415   111.02441   -42.19453
    8     7 S   O2Z  _O11     8     1.26083   116.60598  -117.47599
    9     7 S   O2Z  _O12     9     1.26532   113.76790    61.26464
   10     5 S   CT   _CB1    10     1.53052   107.17652  -169.76730
   11    10 S   HC   HB11    11     1.09836   110.18253   -42.02066
   12    10 S   HC   HB12    12     1.09737   110.13002    74.63233
   13    10 S   CT   _CG1    13     1.53079   112.05611  -162.42867
   14    13 S   HC   HG11    14     1.09517   111.18517   -56.32280
   15    13 S   HC   HG12    15     1.09666   109.56112    62.69376
   16    13 S   C    _CD1    16     1.51604   112.12279  -176.58218
   17    16 S   O    _OE1    17     1.22709   123.11207     9.38584
   18    16 S   N    _N2_    18     1.38557   111.88653  -170.98600
   19    18 S   H    _HN2    19     1.01533   118.98481     4.14713
   20    18 S   CT1  _CA2    20     1.46317   123.62923  -177.94433
   21    20 S   HC   _HA2    21     1.09541   108.96884    15.11876
   22    20 S   C    _C2_    22     1.53618   108.59534  -100.53016
   23    22 S   O    _O2_    23     1.23059   122.45433  -139.47194
   24    20 S   CT   _CB2    32     1.53528   111.44238   137.28027
   25    24 S   HC   HB21    33     1.09668   109.48376    65.66970
   26    24 S   HC   HB22    34     1.09500   111.15380  -177.05762
   27    22 S   N    _N3_    24     1.38386   113.74261    47.01747
   28    27 S   H    _HN3    25     1.01539   119.69783    -0.11014
   29    24 S   S    _SG2    35     1.82826   114.00231   -53.01429
   30    27 S   CT   _CA3    26     1.45290   123.21003   178.29567
   31    30 S   HC   HA31    27     1.09543   107.26593   -71.79518
   32    30 S   HC   HA32    28     1.09556   108.31632    44.72084
   33    29 S   CT   _C14    36     1.84552   100.73118   -73.29003
   34    33 S   HC   _H8_    37     1.08962   106.46939    15.96675
   35    30 S   CO3  _C3_    29     1.52980   114.11694   166.93760
   36    35 S   O2Z  _O31    30     1.26374   116.14862    -0.65909
   37    35 S   O2Z  _O32    31     1.26447   114.38237   179.45824
   38    33 S   CM   _C15    38     1.50397   108.69529  -101.50324
   39    38 S   HC   _H13    39     1.09035   117.66567   -72.33033
   40    33 S   CM   _C11    43     1.53479   109.27366   134.19411
   41    38 S   CMA  _C16    40     1.51768   123.20685   102.81368
   42    41 S   OM   _O37    41     1.26258   119.38601  -166.58964
   43    41 S   OM   _O38    42     1.26206   122.37200    13.61001
   44    40 S   CM   _C10    44     1.35623   122.82857  -118.20145
   45    40 S   CT   _C12    70     1.52420   117.50436    59.04608
   46    45 S   HC   _H11    71     1.09556   111.87032     0.95940
   47    45 S   HC   _H12    72     1.09776   109.00824  -115.80952
   48    44 S   CZ   _C17    45     1.43017   122.31243    -6.43005
   49    48 S   NZ   _N4_    46     1.16094   179.29279  -158.18897
   50    44 S   OS1  _O34    47     1.38970   119.66418   176.74869
   51    45 S   CO3  _C13    73     1.52838   113.16354   120.85497
   52    51 S   O2Z  _O36    74     1.26269   116.26871   -49.75732
   53    51 S   O2Z  _O35    75     1.26535   114.69279   131.67619
   54    50 S   CO1  _C9_    48     1.43976   114.33191  -129.94468
   55    54 S   HC   _H7_    49     1.09911   109.61043    34.58605
   56    54 S   CT   _C8_    50     1.53584   107.11627   153.39635
   57    56 S   HC   _H6_    51     1.09691   109.66104    50.74896
   58    56 S   CT   _C7_    52     1.53192   111.61280   172.57744
   59    58 S   HC   _H5_    53     1.09574   110.47975    74.25608
   60    56 S   OH5  _O39    68     1.42862   110.00397   -65.63217
   61    60 S   HO   _H14    69     0.97590   108.75320   -70.09861
   62    58 S   CT   _C6_    54     1.53062   111.47483   -48.25699
   63    62 S   HC   _H4_    55     1.09701   109.12208   -71.27445
   64    58 S   OH5  _O40    66     1.42959   109.77005  -169.68731
   65    64 S   HO   _H15    67     0.97237   108.10187    57.40393
   66    62 S   CT   _C5_    56     1.53130   110.44209    50.02912
   67    66 S   HC   _H3_    57     1.09837   111.04541    63.29222
   68    62 S   OH5  _O41    64     1.42629   109.65806   171.81868
   69    68 S   HO   _H16    65     0.97196   108.11181   -59.10551
   70    54 S   OS1  _O33    58     1.42992   110.29341   -87.19224
   71    66 S   CT   _C4_    59     1.52993   111.47164  -175.77293
   72    71 S   HC   _H9_    60     1.09504   110.99912    70.45664
   73    71 S   HC   _H10    61     1.09389   111.62321   -51.98310
   74    71 S   OH5  _O42    62     1.42435   109.04897  -170.82093
   75    74 S   HO   _H17    63     0.97219   107.15859  -176.63873
  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   8   5   4   3
  14   6   2   1   1   7   4  12   2   1   1  11   7   4   3   3
   1   8   2   1   1  13   6  12   7  13   7   4   1  12   7   3
   1   9   6   3   1   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    40    44    48    50    45    46    47    51  
   38    39    41    40    44    45  
   36    37  
   37  
    0  
   39    41    42    43    40    44    45  
   41    42    43    40  
   44    48    49    50    54    45    46    47    51    52    53    41  
   42    43  
   43  
    0  
   48    49    50    54    55    56    70    45    46    47    51  
   46    47    51    52    53    48    50  
   47    51    52    53  
   51    52    53  
   49    50    54  
   50  
   54    55    56    57    58    66    70    60  
   52    53  
   53  
    0  
   55    56    57    58    59    62    66    67    70    71    64    60    61  
   56    57    58    66    70    60  
   57    58    59    62    63    66    70    68    64    65    60    61  
   58    59    62    70    64    60    61  
   59    62    63    66    67    70    71    68    69    64    65    60    61  
   62    63    66    68    64    65    60  
   61    62    64    70  
    0  
   63    66    67    70    71    72    73    74    68    69    64    65  
   66    67    70    71    68    69    64  
   65    66    68  
    0  
   67    70    71    72    73    74    75    68    69  
   70    71    72    73    74    68  
   69    70    71  
    0  
   71    72    73    74  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   49   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    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    40   317.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    43   745.000  1.250
   40    44   549.000  1.340
   40    45   317.000  1.510
   44    48   400.000  1.423
   44    50   440.000  1.360
   48    49   650.000  1.157
   50    54   370.000  1.399
   54    55   360.000  1.097
   54    56   255.000  1.525
   54    70   370.000  1.399
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   355.000  1.421
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    64   355.000  1.421
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    68   355.000  1.421
   66    67   340.000  1.090
   66    70   335.000  1.422
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   355.000  1.421
   74    75   580.000  0.967
   68    69   580.000  0.967
   64    65   580.000  0.967
   60    61   580.000  0.967
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.522
   51    52   656.000  1.250
   51    53   656.000  1.250
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  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    44    70.00000  124.00000
   33    40    45    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   41    38    39    40.00000  120.50800
   43    41    42    65.00000  121.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    48    65.00000  121.28400
   40    44    50    80.00000  120.01400
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    51    65.00000  111.94000
   44    48    49    35.00000  179.19300
   44    50    54    90.00000  111.18400
   50    44    48    85.00000  115.49000
   50    54    55    60.00000  105.75400
   50    54    56    90.00000  109.70700
   50    54    70   110.00000  113.16000
   54    56    57    45.00000  109.54000
   54    56    58    70.00000  111.10000
   54    56    60    90.00000  109.42000
   54    70    66    90.00000  112.10700
   56    54    55    45.00000  111.65000
   56    58    59    37.50000  110.70000
   56    58    62    58.35000  112.70000
   56    58    64    90.00000  111.45300
   56    60    61    65.00000  108.53500
   58    56    57    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    66    58.35000  112.70000
   58    62    68    90.00000  111.45300
   58    64    65    65.00000  108.53500
   62    58    59    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    70    95.00000  107.88500
   62    66    71    58.35000  112.70000
   62    68    69    65.00000  108.53500
   66    62    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    90.00000  111.45300
   70    54    55    60.00000  105.75400
   70    54    56    90.00000  109.70700
   70    66    67    55.00000  108.98800
   71    66    67    37.50000  110.70000
   71    66    70    95.00000  107.88500
   71    74    75    65.00000  108.53500
   73    71    72    33.00000  107.80000
   74    71    72    60.00000  109.39000
   74    71    73    60.00000  109.39000
   68    62    63    60.00000  109.39000
   68    62    66    90.00000  111.45300
   64    58    59    60.00000  109.39000
   64    58    62    90.00000  111.45300
   60    56    57    60.00000  109.39000
   60    56    58    90.00000  111.45300
   45    40    44    70.00000  124.00000
   45    51    52    70.00000  117.00000
   45    51    53    70.00000  117.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   53    51    52    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   29    33    40    45   0.30250  1.0 1.0
   29    33    40    45  -0.14950 -1.0 2.0
   29    33    40    45   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    40    44    48   7.00000 -1.0 2.0
   33    40    44    50   7.00000 -1.0 2.0
   33    40    45    46   0.34800  1.0 3.0
   33    40    45    47   0.34800  1.0 3.0
   33    40    45    51   0.17250  1.0 1.0
   33    40    45    51  -0.04100 -1.0 2.0
   33    40    45    51  -0.33850  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    45   0.34800  1.0 3.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    50    54  -2.26850  1.0 1.0
   40    44    50    54   3.39050 -1.0 2.0
   40    45    51    52   0.30150 -1.0 2.0
   40    45    51    53   0.30150 -1.0 2.0
   44    40    45    46   0.00000  1.0 1.0
   44    40    45    47   0.00000  1.0 1.0
   44    40    45    51  -0.51250  1.0 1.0
   44    40    45    51  -0.88800 -1.0 2.0
   44    40    45    51   0.08850  1.0 3.0
   44    50    54    55   0.08050  1.0 3.0
   44    50    54    56  -0.46850  1.0 1.0
   44    50    54    56   0.09300 -1.0 2.0
   44    50    54    56  -0.12850  1.0 3.0
   44    50    54    70  -0.48150  1.0 1.0
   44    50    54    70   0.09250 -1.0 2.0
   44    50    54    70  -0.12850  1.0 3.0
   48    44    50    54   2.00000 -1.0 2.0
   50    44    48    49   0.00000  1.0 1.0
   50    54    56    57   0.23400  1.0 3.0
   50    54    56    58   0.62750  1.0 1.0
   50    54    56    58  -0.30950 -1.0 2.0
   50    54    56    58   0.27300  1.0 3.0
   50    54    56    60   1.51850  1.0 1.0
   50    54    70    66  -0.70400  1.0 1.0
   50    54    70    66  -0.90350 -1.0 2.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    62   0.56750  1.0 1.0
   54    56    58    62  -0.07550 -1.0 2.0
   54    56    58    62   0.20000  1.0 3.0
   54    56    58    64  -0.47750  1.0 1.0
   54    56    60    61   0.29150  1.0 1.0
   54    56    60    61  -0.28350 -1.0 2.0
   54    56    60    61   0.43600  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.23400  1.0 3.0
   55    54    70    66   0.37050  1.0 3.0
   56    54    70    66   0.06250  1.0 1.0
   56    54    70    66  -0.01100 -1.0 2.0
   56    54    70    66   0.28050  1.0 3.0
   56    58    62    63   0.15000  1.0 3.0
   56    58   -62    66   0.56750  1.0 1.0
   56    58   -62    66  -0.07550 -1.0 2.0
   56    58   -62    66   0.20000  1.0 3.0
   56    58    62    68  -0.47750  1.0 1.0
   56    58    64    65   0.29150  1.0 1.0
   56    58    64    65  -0.28350 -1.0 2.0
   56    58    64    65   0.43600  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    62   0.15000  1.0 3.0
   57    56    58    64   0.23400  1.0 3.0
   57    56    60    61   0.19450  1.0 3.0
   58    56    60    61   0.29150  1.0 1.0
   58    56    60    61  -0.28350 -1.0 2.0
   58    56    60    61   0.43600  1.0 3.0
   58    62    66    67   0.15000  1.0 3.0
   58    62    66    70   0.62750  1.0 1.0
   58    62    66    70  -0.30950 -1.0 2.0
   58    62    66    70   0.27300  1.0 3.0
   58    62    66    71   0.56750  1.0 1.0
   58    62    66    71  -0.07550 -1.0 2.0
   58    62    66    71   0.20000  1.0 3.0
   58    62    68    69   0.29150  1.0 1.0
   58    62    68    69  -0.28350 -1.0 2.0
   58    62    68    69   0.43600  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    66   0.15000  1.0 3.0
   59    58    62    68   0.23400  1.0 3.0
   59    58    64    65   0.19450  1.0 3.0
   62    58    64    65   0.29150  1.0 1.0
   62    58    64    65  -0.28350 -1.0 2.0
   62    58    64    65   0.43600  1.0 3.0
   62    66   -70    54   0.06250  1.0 1.0
   62    66   -70    54  -0.01100 -1.0 2.0
   62    66   -70    54   0.28050  1.0 3.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74  -0.47750  1.0 1.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    70   0.23400  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   66    62    68    69   0.29150  1.0 1.0
   66    62    68    69  -0.28350 -1.0 2.0
   66    62    68    69   0.43600  1.0 3.0
   66    71    74    75   0.29150  1.0 1.0
   66    71    74    75  -0.28350 -1.0 2.0
   66    71    74    75   0.43600  1.0 3.0
   67    66    70    54   0.37050  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.23400  1.0 3.0
   70    54    56    57   0.23400  1.0 3.0
   70    54   -56    58   0.62750  1.0 1.0
   70    54   -56    58  -0.30950 -1.0 2.0
   70    54   -56    58   0.27300  1.0 3.0
   70    54    56    60   1.51850  1.0 1.0
   70    66    71    72   0.23400  1.0 3.0
   70    66    71    73   0.23400  1.0 3.0
   70    66    71    74   1.51850  1.0 1.0
   71    66    70    54   0.06250  1.0 1.0
   71    66    70    54  -0.01100 -1.0 2.0
   71    66    70    54   0.28050  1.0 3.0
   72    71    74    75   0.19450  1.0 3.0
   73    71    74    75   0.19450  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    70   1.51850  1.0 1.0
   68    62    66    71  -0.47750  1.0 1.0
   64    58    62    63   0.23400  1.0 3.0
   64    58    62    66  -0.47750  1.0 1.0
   64    58    62    68   3.77950  1.0 1.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    62  -0.47750  1.0 1.0
   60    56    58    64   3.77950  1.0 1.0
   45    40    44    48   7.00000 -1.0 2.0
   45    40    44    50   7.00000 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   47    45    51    52   0.00000  1.0 1.0
   47    45    51    53   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    43    41    38  15.00000 -1.0 2.0
   33    45    40    44  15.00000 -1.0 2.0
   48    50    44    40  15.00000 -1.0 2.0
   52    45    51    53  10.50000 -1.0 2.0
END
