* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    131    202     387
    1     0 S   NP   _N1_     1    28.63859    95.49206   -20.73319
    2     1 S   H    _HN1     2     1.02973    90.16133    58.99623
    3     1 S   H    _H1_     3     1.02841    36.31253   178.35598
    4     1 S   H    _H2_     4     1.02794    83.63955   -49.34801
    5     1 S   CT   _CA1     5     1.50049   146.82789  -171.05387
    6     5 S   HC   _HA1     6     1.09609   105.17144    52.02470
    7     5 S   CO3  _C1_     7     1.53795   112.76427   -67.60073
    8     7 S   O2Z  _O11     8     1.26269   115.17484   -42.10788
    9     7 S   O2Z  _O12     9     1.26440   115.02704   137.70856
   10     5 S   CT   _CB1    10     1.53272   107.40632   169.38138
   11    10 S   HC   HB11    11     1.09778   108.92432   -56.83701
   12    10 S   HC   HB12    12     1.09807   110.56967    59.61538
   13    10 S   CT   _CG1    13     1.52796   112.48670  -178.46813
   14    13 S   HC   HG11    14     1.09528   109.52204   -69.84040
   15    13 S   HC   HG12    15     1.09647   110.10707    49.07443
   16    13 S   C    _CD1    16     1.51712   113.48200   169.15776
   17    16 S   O    _OE1    17     1.22649   123.41853   -14.94463
   18    16 S   N    _N2_    18     1.38626   111.20179   166.98496
   19    18 S   H    _HN2    19     1.01543   118.87647    -1.23019
   20    18 S   CT1  _CA2    20     1.46230   123.99793   177.16200
   21    20 S   HC   _HA2    21     1.09674   109.54161   -15.33912
   22    20 S   C    _C2_    22     1.53468   107.12107  -131.40876
   23    22 S   O    _O2_    23     1.22991   122.42899  -145.99569
   24    20 S   CT   _CB2    32     1.53368   111.69180   107.76564
   25    24 S   HC   HB21    33     1.09622   109.62266    56.37731
   26    24 S   HC   HB22    34     1.09502   110.20471   175.11280
   27    22 S   N    _N3_    24     1.38582   113.35175    40.16057
   28    27 S   H    _HN3    25     1.01498   118.77228    -3.32884
   29    24 S   S    _SG2    35     1.82488   112.12117   -64.59643
   30    27 S   CT   _CA3    26     1.45358   123.04824  -175.10539
   31    30 S   HC   HA31    27     1.09461   107.19337  -151.34957
   32    30 S   HC   HA32    28     1.09525   108.93271   -33.93100
   33    29 S   CT   _C10    36     1.83888    99.36212   168.60741
   34    33 S   HC   _H3_    37     1.09475   106.39588   -44.59768
   35    30 S   CO3  _C3_    29     1.53215   113.66577    88.51689
   36    35 S   O2Z  _O31    30     1.26491   116.16727    18.78242
   37    35 S   O2Z  _O32    31     1.26370   114.56859  -161.72424
   38    33 S   CA   _C9_    38     1.52113   112.43964    72.94544
   39    33 S   CM   _C11    50     1.51225   108.27443  -161.63644
   40    39 S   HC   _H8_    51     1.09148   115.52907   -89.82026
   41    38 S   CA   _C4_    39     1.40532   119.52898  -122.83439
   42    41 S   HA   _H4_    40     1.08753   120.42027     0.09279
   43    39 S   CMA  _C12    52     1.35660   127.87911    91.10019
   44    43 S   OM   _O33    53     1.26149   126.83406   178.70805
   45    41 S   CA   _C5_    41     1.39607   120.82374  -179.95154
   46    45 S   HA   _H5_    42     1.08621   119.83839  -179.87180
   47    43 S   NE   _N4_    54     1.39616   120.94699    -2.37916
   48    47 S   H    _H9_    55     1.01210   115.20859    -0.96530
   49    45 S   CA   _C6_    43     1.39064   119.65228     0.19683
   50    47 S   CT   _C13    56     1.45611   129.02019  -176.12051
   51    50 S   HC   _H10    57     1.09661   109.56429   -58.83831
   52    50 S   HC   _H11    58     1.09649   110.24905    59.92138
   53    49 S   CA   _C7_    44     1.39163   120.70146     0.09279
   54    53 S   HA   _H6_    45     1.08594   121.02522   179.82754
   55    49 S   OH   _O34    48     1.36616   118.21668  -179.98022
   56    55 S   HO   _H23    49     0.97236   108.53746  -179.88131
   57    50 S   CT   _C14    59     1.53051   111.27125  -178.32217
   58    57 S   HC   _H12    60     1.09710   109.95916    55.79164
   59    57 S   HC   _H13    61     1.09712   107.97437   172.14822
   60    38 S   CA   _C8_    46     1.40638   122.05746    57.68260
   61    60 S   HA   _H7_    47     1.08767   120.45218    -0.02798
   62    57 S   CT   _C15    62     1.53105   113.22686   -66.98024
   63    62 S   HC   _H14    63     1.09680   110.11006   -49.70172
   64    62 S   HC   _H15    64     1.09603   110.43485    67.68871
   65    62 S   CT   _C16    65     1.52352   111.08445  -170.58921
   66    65 S   HC   _H16    66     1.09479   112.40574   -56.09617
   67    65 S   HC   _H17    67     1.09586   110.18835    62.55068
   68    65 S   NG   _N5_    68     1.46946   111.26516  -179.25270
   69    68 S   H    _H18    69     1.02103   118.60317   -93.25599
   70    68 S   CG   _C17    70     1.38134   124.59444    89.10133
   71    70 S   NG   _N7_    71     1.37856   118.98918   178.47210
   72    71 S   H    _H21    72     1.01757   121.03146     1.34625
   73    71 S   H    _H22    73     1.02052   120.31600  -179.98022
   74    70 S   NG   _N6_    74     1.37839   122.39249    -2.21691
   75    74 S   H    _H19    75     1.02096   119.66444   179.73607
   76    74 S   H    _H20    76     1.01407   122.53098    -0.22900
  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
  13   6   2   1   1  12   8   3   8   4   7   3   7   3   8   4
   6   9   5   4   5   3   2   1   9   5   4   1   1   8   5   4
   7   4   3   8   3   6   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    60    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    60    61    39    40    43    44    47  
   38    41    60    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    49    53    54    60    61    39    40    43  
   40    43    44    47    48    50    41    60  
   43    44    47  
   42    45    46    49    53    60    61    55  
   45    46    49    60  
   44    47    48    50    51    52    57  
   47    48    50  
   46    49    53    54    60    55    56  
   49    53    55  
   48    50    51    52    57    58    59    62  
   50    51    52    57  
   53    54    60    61    55    56  
   51    52    57    58    59    62    63    64    65  
   52    57    58    59    62  
   57    58    59    62  
   54    60    61    55    56  
   60    61    55  
   56    60  
    0  
   58    59    62    63    64    65    66    67    68  
   59    62    63    64    65  
   62    63    64    65  
   61  
    0  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    74  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75    76  
   70    71    74  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74  
   74  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   69   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   70   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   71   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   72   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   75   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.460000   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    39   317.000  1.510
   38    41   469.000  1.400
   38    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    53   469.000  1.400
   49    55   450.000  1.364
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   367.000  1.080
   55    56   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    48   434.000  1.010
   47    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   337.000  1.463
   68    69   434.000  1.010
   68    70   481.000  1.340
   70    71   481.000  1.340
   70    74   481.000  1.340
   71    72   434.000  1.010
   71    73   434.000  1.010
   74    75   434.000  1.010
   74    76   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    60    53    63.00000  120.00000
   38    60    61    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    53    63.00000  120.00000
   45    49    55    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    60    63.00000  120.00000
   49    55    56    35.00000  113.00000
   53    60    61    35.00000  120.00000
   60    38    41    63.00000  120.00000
   60    53    54    35.00000  120.00000
   55    49    53    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    48    50.00000  121.48000
   43    47    50    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    80.00000  111.61500
   50    47    48    35.00000  112.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    80.00000  111.20000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    35.00000  118.40000
   65    68    70    50.00000  123.20000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    70.00000  120.00000
   68    70    74    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    73    35.00000  120.00000
   70    74    75    35.00000  120.00000
   70    74    76    35.00000  120.00000
   73    71    72    35.00000  120.00000
   74    70    71    70.00000  120.00000
   76    74    75    35.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    60    53   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   41    38    60    53   3.62500 -1.0 2.0
   41    38    60    61   3.62500 -1.0 2.0
   41    45   -49    53   3.62500 -1.0 2.0
   41    45    49    55   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    60   3.62500 -1.0 2.0
   45    49    55    56   0.84100 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   46    45    49    55   3.62500 -1.0 2.0
   49    53   -60    38   3.62500 -1.0 2.0
   49    53    60    61   3.62500 -1.0 2.0
   53    49    55    56   0.84100 -1.0 2.0
   54    53    60    38   3.62500 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    45   3.62500 -1.0 2.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    60   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    60   0.18050 -1.0 2.0
   39    43    47    48   1.00000 -1.0 2.0
   39    43    47    50  -0.54700  1.0 1.0
   39    43    47    50   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    52   0.00000  1.0 1.0
   43    47    50    57   0.25450  1.0 1.0
   43    47    50    57  -0.61700 -1.0 2.0
   43    47    50    57  -0.23550  1.0 3.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    50   1.00000 -1.0 2.0
   47    50    57    58   0.22950  1.0 3.0
   47    50    57    59   0.22950  1.0 3.0
   47    50    57    62   1.26750  1.0 1.0
   47    50    57    62  -0.00950 -1.0 2.0
   47    50    57    62   0.30600  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    57   0.00000  1.0 1.0
   50    57    62    63   0.15000  1.0 3.0
   50    57    62    64   0.15000  1.0 3.0
   50    57    62    65   0.56750  1.0 1.0
   50    57    62    65  -0.07550 -1.0 2.0
   50    57    62    65   0.20000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    62   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    62   0.15000  1.0 3.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    65    67   0.15000  1.0 3.0
   57    62    65    68   1.34550  1.0 1.0
   57    62    65    68  -0.31050 -1.0 2.0
   57    62    65    68   0.95500  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   62    65    68    69  -0.09500  1.0 1.0
   62    65    68    69  -0.20850 -1.0 2.0
   62    65    68    69   0.20900  1.0 3.0
   62    65    68    70   0.25550 -1.0 2.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68  -0.29100  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68  -0.29100  1.0 3.0
   65    68    70    71   3.96800 -1.0 2.0
   65    68    70    74   3.96800 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.08850  1.0 3.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    70   0.08850  1.0 3.0
   68    70    71    72   1.50000 -1.0 2.0
   68    70    71    73   1.50000 -1.0 2.0
   68    70    74    75   1.50000 -1.0 2.0
   68    70    74    76   1.50000 -1.0 2.0
   69    68    70    71   1.50000 -1.0 2.0
   69    68    70    74   1.50000 -1.0 2.0
   71    70    74    75   1.50000 -1.0 2.0
   71    70    74    76   1.50000 -1.0 2.0
   74    70    71    72   1.50000 -1.0 2.0
   74    70    71    73   1.50000 -1.0 2.0
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
   41    60    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   53    55    49    45   4.00000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   53    61    60    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   48    43    47    50   1.00000 -1.0 2.0
   69    70    68    65   1.00000 -1.0 2.0
   68    71    70    74  10.50000 -1.0 2.0
   73    70    71    72   1.00000 -1.0 2.0
   75    76    74    70   1.00000 -1.0 2.0
END
