* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    118    187     345
    1     0 S   NP   _N1_     1    28.64567    96.36691   -24.00508
    2     1 S   H    _HN1     2     1.02949    72.50027    10.32699
    3     1 S   H    _H1_     3     1.02828    36.76162   169.86614
    4     1 S   H    _H2_     4     1.02789   107.81041   -93.89039
    5     1 S   CT   _CA1     5     1.50112   135.87486   111.89095
    6     5 S   HC   _HA1     6     1.09573   105.19532    92.13667
    7     5 S   CO3  _C1_     7     1.53783   112.43453   -28.11566
    8     7 S   O2Z  _O11     8     1.26373   115.01184   -43.37164
    9     7 S   O2Z  _O12     9     1.26234   114.94292   135.73181
   10     5 S   CT   _CB1    10     1.53073   107.41895  -149.88267
   11    10 S   HC   HB11    11     1.09836   109.37784   -49.60642
   12    10 S   HC   HB12    12     1.09812   110.45306    66.99737
   13    10 S   CT   _CG1    13     1.53003   112.61105  -170.56152
   14    13 S   HC   HG11    14     1.09579   110.66941   -65.78009
   15    13 S   HC   HG12    15     1.09670   109.75943    53.46111
   16    13 S   C    _CD1    16     1.51804   112.13875   173.93932
   17    16 S   O    _OE1    17     1.22742   123.24223     8.63531
   18    16 S   N    _N2_    18     1.38636   111.72867  -171.48299
   19    18 S   H    _HN2    19     1.01594   119.01353     1.53110
   20    18 S   CT1  _CA2    20     1.46228   123.41246   177.38199
   21    20 S   HC   _HA2    21     1.09737   109.31250     5.01727
   22    20 S   C    _C2_    22     1.53644   108.96970  -110.51289
   23    22 S   O    _O2_    23     1.23077   122.21824  -150.47134
   24    20 S   CT   _CB2    32     1.53456   111.46582   126.99354
   25    24 S   HC   HB21    33     1.09412   109.35222    56.27158
   26    24 S   HC   HB22    34     1.09402   109.69704   175.18753
   27    22 S   N    _N3_    24     1.38307   113.85561    37.10094
   28    27 S   H    _HN3    25     1.01559   119.58001    -3.48223
   29    24 S   S    _SG2    35     1.83226   111.05002   -65.06422
   30    27 S   CT   _CA3    26     1.45277   123.24970   177.13878
   31    30 S   HC   HA31    27     1.09548   107.53204   -64.37966
   32    30 S   HC   HA32    28     1.09556   107.97245    52.06942
   33    29 S   CT   _C18    36     1.87573   102.11495   175.45248
   34    30 S   CO3  _C3_    29     1.52963   114.05411   174.07206
   35    34 S   O2Z  _O31    30     1.26380   116.07381     0.13988
   36    34 S   O2Z  _O32    31     1.26426   114.41510  -179.81443
   37    33 S   CM   _C11    37     1.50484   107.20903   -63.94905
   38    37 S   HC   _H28    38     1.09140   116.08797   -65.48856
   39    33 S   CM   _C14    51     1.53694   112.06396   174.37015
   40    37 S   CMA  _C15    39     1.35014   125.98010   114.68267
   41    40 S   OM   _O17    40     1.26218   128.12253  -179.86730
   42    39 S   CM   _C12    52     1.34563   126.95477     5.25024
   43    42 S   HC   _H29    53     1.08191   124.64917     0.22117
   44    39 S   CO4  _C13    64     1.50180   117.92638  -174.80408
   45    44 S   O    _O18    65     1.22461   122.76069     0.80939
   46    40 S   CM   _C16    41     1.48697   118.39341    -0.21670
   47    42 S   OS   _O20    54     1.37381   128.00521   179.88297
   48    46 S   CM   _C10    42     1.34680   121.77318     1.62450
   49    48 S   HC   _H27    43     1.08295   123.18941   179.62675
   50    46 S   OS   _O22    46     1.39245   114.83966  -178.38614
   51    47 S   CA   _C8_    55     1.36734   117.86605    -0.43745
   52    33 S   CO4  _C17    44     1.53265   106.26026    57.19717
   53    52 S   O    _O19    45     1.23266   122.69951    65.22074
   54    50 S   CT   _C19    47     1.42148   118.68776   179.81443
   55    54 S   HC   _H30    48     1.09410   107.85155  -179.84934
   56    54 S   HC   _H31    49     1.09473   111.01415    62.25690
   57    54 S   HC   _H32    50     1.09476   111.01757   -61.94849
   58    51 S   CA   _C6_    56     1.39490   117.36539  -179.59170
   59    58 S   HA   _H26    57     1.08655   120.36527     0.00000
   60    58 S   CA   _C9_    58     1.39275   119.38270   180.00000
   61    60 S   CA   _C5_    59     1.39397   120.85903     0.02798
   62    61 S   HA   _H25    60     1.08612   120.97509  -179.97202
   63    60 S   OH   _O21    66     1.36629   118.13042  -179.98022
   64    63 S   HO   _H33    67     0.97247   108.63817  -179.96044
   65    61 S   CA   _C4_    61     1.39572   119.53646     0.02798
   66    65 S   HA   _H24    62     1.08687   119.11126  -180.00000
   67    51 S   CA   _C7_    63     1.39067   122.39830     0.42151
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  11   5  12   7   3   8   3   9   3   9   6   5
   3   5   8   1   1   3   2   1   1   8   4   7   6   4   2   1
   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    52    53    39    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    48    49    52    53    39    42    43    47    67    44    45  
   35    36  
   36  
    0  
   38    40    41    46    48    52    53    50    39    42    44  
   40    41    46    52    39  
   42    43    47    51    65    67    44    45    40    48    52    53  
   41    46    48    49    52    50    54  
   46    48    50  
   43    47    51    58    67    44    45    52  
   47    51    44  
   45    47    51    52    58    61    65    66    67  
   51    65    67  
   48    49    52    53    50    54    55    56    57  
   51    58    59    60    65    67  
   49    52    53    50    54  
   52    53    50  
   54    55    56    57    52  
   58    59    60    61    65    66    67    63  
   53  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    65    67    63    64  
   60    61    67    63  
   61    62    65    66    67    63    64  
   62    65    66    67    63    64  
   65    66    67    63  
   64    65  
    0  
   66    67  
   67  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.5000   1.7750   0.001000000  -0.843144165
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    52   317.000  1.522
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    48   549.000  1.340
   46    50   440.000  1.360
   48    49   340.000  1.080
   48    52   320.000  1.462
   52    53   570.000  1.229
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    42   549.000  1.340
   39    44   320.000  1.462
   42    43   340.000  1.080
   42    47   440.000  1.360
   47    51   450.000  1.364
   51    58   469.000  1.400
   51    67   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    44   310.000  1.470
   44    45   570.000  1.229
   63    64   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    52    75.00000  110.18000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    52    48    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    39    42    70.00000  124.00000
   33    39    44    65.00000  116.34900
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    46    48    70.00000  117.34000
   40    46    50    80.00000  120.01400
   46    40    41    65.00000  137.10300
   46    48    49    35.00000  120.00000
   46    48    52    65.00000  118.96000
   46    50    54    90.00000  111.18400
   48    52    53    80.00000  123.72100
   52    33    37    70.00000  109.06800
   52    48    49    40.00000  117.72500
   50    46    48    80.00000  120.01400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    33    52    70.00000  109.06800
   39    42    43    35.00000  120.00000
   39    42    47    80.00000  120.01400
   39    44    67    65.00000  117.02400
   39    44    45    80.00000  123.72100
   42    47    51    90.00000  114.30300
   47    42    43    55.00000  109.52600
   47    51    58    70.00000  120.00000
   47    51    67    70.00000  120.00000
   51    58    59    35.00000  120.00000
   51    58    60    63.00000  120.00000
   51    67    65    63.00000  120.00000
   51    67    44    60.00000  119.52600
   58    60    61    63.00000  120.00000
   58    60    63    70.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    66    35.00000  120.00000
   61    65    67    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    67    44    60.00000  119.52600
   67    51    58    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    44    45    75.00000  123.78400
   44    39    42    65.00000  118.96000
   63    60    61    70.00000  120.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    52    48   0.65300  1.0 1.0
   29    33    52    48  -0.03850 -1.0 2.0
   29    33    52    48   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   33    39    44    67   1.50000 -1.0 2.0
   33    39    44    45  -0.64400  1.0 1.0
   33    39    44    45   0.26850 -1.0 2.0
   37    33    52    48   0.65300  1.0 1.0
   37    33    52    48  -0.03850 -1.0 2.0
   37    33    52    48   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    39    42  -0.28300  1.0 1.0
   37    33    39    42   0.26700 -1.0 2.0
   37    33    39    42  -0.63300  1.0 3.0
   37    33    39    44   0.09700  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44  -0.50800  1.0 3.0
   37    40   -46    48   7.00000 -1.0 2.0
   37    40    46    50   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    48    49   7.00000 -1.0 2.0
   40    46    48    52   7.00000 -1.0 2.0
   40    46    50    54  -2.26850  1.0 1.0
   40    46    50    54   3.39050 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   41    40    46    50   7.00000 -1.0 2.0
   46    48   -52    33  -0.33500  1.0 1.0
   46    48   -52    33   1.06600 -1.0 2.0
   46    48   -52    33  -0.14000  1.0 3.0
   46    48    52    53   1.00000 -1.0 2.0
   46    50    54    55   0.08050  1.0 3.0
   46    50    54    56   0.08050  1.0 3.0
   46    50    54    57   0.08050  1.0 3.0
   48    46    50    54  -2.26850  1.0 1.0
   48    46    50    54   3.39050 -1.0 2.0
   49    48    52    33   0.04550  1.0 1.0
   49    48    52    33   0.83000 -1.0 2.0
   49    48    52    33  -0.04000  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   52    33    37    38   0.00000  1.0 1.0
   52    33   -37    40  -0.51250  1.0 1.0
   52    33   -37    40  -0.88800 -1.0 2.0
   52    33   -37    40   0.08850  1.0 3.0
   52    33    39    42  -0.51250  1.0 1.0
   52    33    39    42  -0.88800 -1.0 2.0
   52    33    39    42   0.08850  1.0 3.0
   52    33    39    44   0.09700  1.0 1.0
   52    33    39    44   0.15600 -1.0 2.0
   52    33    39    44  -0.50800  1.0 3.0
   50    46    48    49   7.00000 -1.0 2.0
   50    46    48    52   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40  -0.28300  1.0 1.0
   39    33    37    40   0.26700 -1.0 2.0
   39    33    37    40  -0.63300  1.0 3.0
   39    33    52    48   0.65300  1.0 1.0
   39    33    52    48  -0.03850 -1.0 2.0
   39    33    52    48   0.33900  1.0 3.0
   39    33    52    53   0.30150 -1.0 2.0
   39    42    47    51   2.00000 -1.0 2.0
   42    39    44    67  -1.65800  1.0 1.0
   42    39    44    67   0.77650 -1.0 2.0
   42    39    44    45   1.00000 -1.0 2.0
   42    47    51    58   0.00000  1.0 1.0
   42    47   -51    67   0.00000  1.0 1.0
   43    42    47    51   0.50000 -1.0 2.0
   47    51    58    59   3.62500 -1.0 2.0
   47    51    58    60   3.62500 -1.0 2.0
   47    51    67    65   3.62500 -1.0 2.0
   47    51    67    44   3.62500 -1.0 2.0
   51    58    60    61   3.62500 -1.0 2.0
   51    58    60    63   3.62500 -1.0 2.0
   51    67   -44    39  -0.11500  1.0 1.0
   51    67   -44    39   1.10450 -1.0 2.0
   51    67   -44    39  -0.48050  1.0 3.0
   51    67    44    45   1.05000 -1.0 2.0
   58    51    67    65   3.62500 -1.0 2.0
   58    51    67    44   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60   -61    65   3.62500 -1.0 2.0
   58    60    63    64   0.84100 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    63   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   60    61    65    67   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65   -67    51   3.62500 -1.0 2.0
   61    65    67    44   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    67   3.62500 -1.0 2.0
   65    67    44    39  -0.11500  1.0 1.0
   65    67    44    39   1.10450 -1.0 2.0
   65    67    44    39  -0.48050  1.0 3.0
   65    67    44    45   1.05000 -1.0 2.0
   66    65    67    51   3.62500 -1.0 2.0
   66    65    67    44   3.62500 -1.0 2.0
   67    51    58    59   3.62500 -1.0 2.0
   67    51   -58    60   3.62500 -1.0 2.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39   -42    47   7.00000 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -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    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    50    46    48   1.10000 -1.0 2.0
   52    49    48    46   1.10000 -1.0 2.0
   33    48    52    53  10.50000 -1.0 2.0
   33    44    39    42   1.10000 -1.0 2.0
   47    43    42    39   1.10000 -1.0 2.0
   58    67    51    47   4.00000 -1.0 2.0
   60    59    58    51   1.10000 -1.0 2.0
   61    63    60    58   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   67    66    65    61   1.10000 -1.0 2.0
   65    44    67    51   4.00000 -1.0 2.0
   39    67    44    45  10.50000 -1.0 2.0
END
