* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    187     350
    1     0 S   NP   _N1_     1    28.62294    96.31358   -23.06238
    2     1 S   H    _HN1     2     1.02949    73.22640    10.30821
    3     1 S   H    _H1_     3     1.02827    38.71981   160.34355
    4     1 S   H    _H2_     4     1.02789   101.71019   -95.58166
    5     1 S   CT   _CA1     5     1.50120   141.72535   112.17944
    6     5 S   HC   _HA1     6     1.09572   105.18790    89.12794
    7     5 S   CO3  _C1_     7     1.53789   112.48006   -31.11847
    8     7 S   O2Z  _O11     8     1.26377   115.00476   -41.94184
    9     7 S   O2Z  _O12     9     1.26239   114.95035   137.18191
   10     5 S   CT   _CB1    10     1.53074   107.41654  -152.86052
   11    10 S   HC   HB11    11     1.09835   109.38791   -49.33855
   12    10 S   HC   HB12    12     1.09812   110.43918    67.27491
   13    10 S   CT   _CG1    13     1.52996   112.61433  -170.29198
   14    13 S   HC   HG11    14     1.09578   110.66825   -65.85776
   15    13 S   HC   HG12    15     1.09669   109.76060    53.38597
   16    13 S   C    _CD1    16     1.51797   112.16329   173.87510
   17    16 S   O    _OE1    17     1.22738   123.25465     8.56701
   18    16 S   N    _N2_    18     1.38634   111.70998  -171.55436
   19    18 S   H    _HN2    19     1.01579   118.97938     1.59188
   20    18 S   CT1  _CA2    20     1.46255   123.43667   177.69200
   21    20 S   HC   _HA2    21     1.09736   109.34073     5.04737
   22    20 S   C    _C2_    22     1.53598   108.63854  -110.46904
   23    22 S   O    _O2_    23     1.23051   122.32152  -147.90965
   24    20 S   CT   _CB2    32     1.53444   111.48972   127.00908
   25    24 S   HC   HB21    33     1.09460   109.50959    57.19983
   26    24 S   HC   HB22    34     1.09440   109.82825   176.04062
   27    22 S   N    _N3_    24     1.38350   113.75661    39.55704
   28    27 S   H    _HN3    25     1.01561   119.60328    -3.20155
   29    24 S   S    _SG2    35     1.83312   110.98545   -64.11275
   30    27 S   CT   _CA3    26     1.45282   123.21929   177.19321
   31    30 S   HC   HA31    27     1.09548   107.50763   -64.80121
   32    30 S   HC   HA32    28     1.09557   107.99392    51.64457
   33    29 S   CT   _C17    36     1.88023   101.56789   173.50864
   34    30 S   CO3  _C3_    29     1.52964   114.07242   173.65180
   35    34 S   O2Z  _O31    30     1.26376   116.07652    -0.40782
   36    34 S   O2Z  _O32    31     1.26426   114.41642   179.64946
   37    33 S   CM   _C11    37     1.50637   107.57339    59.73618
   38    37 S   HC   _H27    38     1.09089   116.29581    55.49241
   39    33 S   CT   _C19    51     1.57899   108.62731  -176.77615
   40    39 S   HC   _H34    52     1.10220   106.08032    56.33852
   41    37 S   CMA  _C12    39     1.34956   126.23995  -124.46143
   42    41 S   OM   _O17    40     1.26207   128.14895   179.78511
   43    39 S   CA   _C9_    53     1.53408   113.27803   171.31160
   44    39 S   CM   _C16    64     1.52259   114.69436   -60.44231
   45    44 S   HC   _H30    65     1.08737   118.06935   -59.42993
   46    41 S   CM   _C13    41     1.48410   118.38157    -0.29936
   47    43 S   CA   _C7_    54     1.40409   122.29119    75.53972
   48    47 S   HA   _H24    55     1.08686   120.86332     0.75329
   49    44 S   CM   _C15    66     1.33919   124.06709   120.38348
   50    49 S   HC   _H28    67     1.08467   120.44505  -179.86294
   51    49 S   HC   _H29    68     1.08447   121.65920     0.05234
   52    46 S   CM   _C10    42     1.34562   121.55714     5.67868
   53    52 S   HC   _H26    43     1.08292   123.22504   178.85295
   54    46 S   OS   _O19    46     1.39207   114.95590  -174.62360
   55    47 S   CA   _C5_    56     1.39667   120.79818  -178.97473
   56    55 S   HA   _H22    57     1.08633   119.82200   179.68973
   57    33 S   CO4  _C14    44     1.53561   106.27697   -60.33842
   58    57 S   O    _O18    45     1.23260   122.70287   -53.42577
   59    54 S   CT   _C18    47     1.42150   118.64697   179.06288
   60    59 S   HC   _H31    48     1.09410   107.85414  -179.25612
   61    59 S   HC   _H32    49     1.09471   110.99853    62.85672
   62    59 S   HC   _H33    50     1.09480   111.02719   -61.33790
   63    55 S   CA   _C4_    58     1.39237   120.17056    -0.17359
   64    63 S   HA   _H21    59     1.08596   120.06353   179.92598
   65    63 S   CA   _C6_    60     1.39216   119.83794    -0.04423
   66    65 S   HA   _H23    61     1.08620   120.01106   179.94405
   67    43 S   CA   _C8_    62     1.40569   119.46784  -103.75191
   68    67 S   HA   _H25    63     1.08769   120.42887    -0.49968
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  12   5  17   7   7   3  13   7   3   9   8   4
   2   1   1   5   3   5   6   3   1   1   3   2   1   1   5   3
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    57    58    39    40    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    52    53    57    58    39    40    43    47    67    44    45    49  
   35    36  
   36  
    0  
   38    41    42    46    52    57    58    54    39    40    43    44  
   41    42    46    57    39  
   40    43    47    48    55    65    67    68    44    45    49    50    51    41    52    57    58  
   43    47    67    44    45    49    57  
   42    46    52    53    57    54    59  
   46    52    54  
   47    48    55    56    63    65    66    67    68    44    45    49    57  
   45    49    50    51    47    57    67  
   49    50    51  
   52    53    57    58    54    59    60    61    62  
   48    55    56    63    64    65    67    68  
   55    56    63    67  
   50    51  
   51  
    0  
   53    57    58    54    59  
   57    58    54  
   59    60    61    62    57  
   56    63    64    65    66    67  
   63    64    65  
   58  
    0  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.055000   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   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   317.000  1.510
   33    57   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   465.000  1.376
   46    52   549.000  1.340
   46    54   440.000  1.360
   52    53   340.000  1.080
   52    57   320.000  1.462
   57    58   570.000  1.229
   54    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   317.000  1.510
   43    47   469.000  1.400
   43    67   469.000  1.400
   47    48   367.000  1.080
   47    55   469.000  1.400
   55    56   367.000  1.080
   55    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    51   340.000  1.080
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  112.20000
   29    33    57    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    57    52    65.00000  118.62400
   33    57    58    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    70.00000  112.02700
   37    41    42    65.00000  137.10300
   37    41    46    70.00000  123.01800
   41    37    38    40.00000  120.50800
   41    46    52    70.00000  117.34000
   41    46    54    80.00000  120.01400
   46    41    42    65.00000  137.10300
   46    52    53    35.00000  120.00000
   46    52    57    65.00000  118.96000
   46    54    59    90.00000  111.18400
   52    57    58    80.00000  123.72100
   57    33    37    70.00000  109.06800
   57    52    53    40.00000  117.72500
   54    46    52    80.00000  120.01400
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    57    63.00000  111.10000
   39    43    47    70.00000  120.00000
   39    43    67    70.00000  120.00000
   39    44    45    35.00000  117.00000
   39    44    49    70.00000  124.00000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  120.00000
   43    47    55    63.00000  120.00000
   43    67    65    63.00000  120.00000
   43    67    68    35.00000  120.00000
   47    55    56    35.00000  120.00000
   47    55    63    63.00000  120.00000
   55    47    48    35.00000  120.00000
   55    63    64    35.00000  120.00000
   55    63    65    63.00000  120.00000
   63    55    56    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   67    43    47    63.00000  120.00000
   67    65    66    35.00000  120.00000
   44    39    40    35.00000  109.50000
   44    39    43    70.00000  112.99600
   44    49    50    35.00000  120.00000
   44    49    51    35.00000  120.00000
   49    44    45    35.00000  120.00000
   51    49    50    35.00000  117.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    57    52   0.65300  1.0 1.0
   29    33    57    52  -0.03850 -1.0 2.0
   29    33    57    52   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   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    37    41    42   7.00000 -1.0 2.0
   33    37    41    46   7.00000 -1.0 2.0
   33    39    43    47   0.04150 -1.0 2.0
   33    39    43    67   0.04150 -1.0 2.0
   33    39    44    45   0.00000  1.0 1.0
   33    39    44    49   0.09850  1.0 1.0
   33    39    44    49   0.15250 -1.0 2.0
   33    39    44    49  -0.50650  1.0 3.0
   37    33    57    52   0.65300  1.0 1.0
   37    33    57    52  -0.03850 -1.0 2.0
   37    33    57    52   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.21200  1.0 1.0
   37    33    39    43   0.16900 -1.0 2.0
   37    33    39    43  -1.15100  1.0 3.0
   37    33    39    44   0.31000  1.0 1.0
   37    33    39    44   0.14700 -1.0 2.0
   37    33    39    44   0.07550  1.0 3.0
   37    41   -46    52   7.00000 -1.0 2.0
   37    41    46    54   7.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    46   7.00000 -1.0 2.0
   41    46    52    53   7.00000 -1.0 2.0
   41    46    52    57   7.00000 -1.0 2.0
   41    46    54    59  -2.26850  1.0 1.0
   41    46    54    59   3.39050 -1.0 2.0
   42    41    46    52   7.00000 -1.0 2.0
   42    41    46    54   7.00000 -1.0 2.0
   46    52   -57    33  -0.33500  1.0 1.0
   46    52   -57    33   1.06600 -1.0 2.0
   46    52   -57    33  -0.14000  1.0 3.0
   46    52    57    58   1.00000 -1.0 2.0
   46    54    59    60   0.08050  1.0 3.0
   46    54    59    61   0.08050  1.0 3.0
   46    54    59    62   0.08050  1.0 3.0
   52    46    54    59  -2.26850  1.0 1.0
   52    46    54    59   3.39050 -1.0 2.0
   53    52    57    33   0.04550  1.0 1.0
   53    52    57    33   0.83000 -1.0 2.0
   53    52    57    33  -0.04000  1.0 3.0
   53    52    57    58   0.00000  1.0 1.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    41  -0.51250  1.0 1.0
   57    33   -37    41  -0.88800 -1.0 2.0
   57    33   -37    41   0.08850  1.0 3.0
   57    33    39    40  -0.11250  1.0 3.0
   57    33    39    43   0.56750  1.0 1.0
   57    33    39    43  -0.07550 -1.0 2.0
   57    33    39    43   0.20000  1.0 3.0
   57    33    39    44  -0.98800  1.0 1.0
   57    33    39    44   0.48800 -1.0 2.0
   57    33    39    44   0.76800  1.0 3.0
   54    46    52    53   7.00000 -1.0 2.0
   54    46    52    57   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    57    52   0.65300  1.0 1.0
   39    33    57    52  -0.03850 -1.0 2.0
   39    33    57    52   0.33900  1.0 3.0
   39    33    57    58   0.30150 -1.0 2.0
   39    43    47    48   3.62500 -1.0 2.0
   39    43    47    55   3.62500 -1.0 2.0
   39    43    67    65   3.62500 -1.0 2.0
   39    43    67    68   3.62500 -1.0 2.0
   39    44    49    50   7.00000 -1.0 2.0
   39    44    49    51   7.00000 -1.0 2.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    43    67   0.00000  1.0 1.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    49   0.00000  1.0 1.0
   43    39    44    45   0.00000  1.0 1.0
   43    39    44    49   1.44450  1.0 1.0
   43    39    44    49   0.06600 -1.0 2.0
   43    39    44    49   0.29250  1.0 3.0
   43    47    55    56   3.62500 -1.0 2.0
   43    47    55    63   3.62500 -1.0 2.0
   47    43    67    65   3.62500 -1.0 2.0
   47    43    67    68   3.62500 -1.0 2.0
   47    55    63    64   3.62500 -1.0 2.0
   47    55   -63    65   3.62500 -1.0 2.0
   48    47    55    56   3.62500 -1.0 2.0
   48    47    55    63   3.62500 -1.0 2.0
   55    63    65    66   3.62500 -1.0 2.0
   55    63    65    67   3.62500 -1.0 2.0
   56    55    63    64   3.62500 -1.0 2.0
   56    55    63    65   3.62500 -1.0 2.0
   63    65   -67    43   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   66    65    67    43   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    43    47    48   3.62500 -1.0 2.0
   67    43   -47    55   3.62500 -1.0 2.0
   44    39    43    47   0.18050 -1.0 2.0
   44    39    43    67   0.18050 -1.0 2.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    51   7.00000 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   41    54    46    52   1.10000 -1.0 2.0
   57    53    52    46   1.10000 -1.0 2.0
   33    52    57    58  10.50000 -1.0 2.0
   47    67    43    39   4.00000 -1.0 2.0
   55    48    47    43   1.10000 -1.0 2.0
   63    56    55    47   1.10000 -1.0 2.0
   65    64    63    55   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    43   1.10000 -1.0 2.0
   39    45    44    49  15.00000 -1.0 2.0
   50    51    49    44  15.00000 -1.0 2.0
END
