* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    141    215     417
    1     0 S   NP   _N1_     1    29.48122    99.52195   -19.25262
    2     1 S   H    _HN1     2     1.02912    55.47699     9.64960
    3     1 S   H    _H1_     3     1.02879    62.53917   149.62938
    4     1 S   H    _H2_     4     1.02798    91.70252  -101.28450
    5     1 S   CT   _CA1     5     1.50185   156.08372    70.69217
    6     5 S   HC   _HA1     6     1.09676   104.92096   129.14929
    7     5 S   CO3  _C1_     7     1.53788   111.36991    10.96291
    8     7 S   O2Z  _O11     8     1.26176   115.67741   -78.68031
    9     7 S   O2Z  _O12     9     1.26385   114.34249    99.46036
   10     5 S   CT   _CB1    10     1.53075   107.24568  -114.62928
   11    10 S   HC   HB11    11     1.09842   108.68290   -53.89314
   12    10 S   HC   HB12    12     1.09774   110.96658    62.47743
   13    10 S   CT   _CG1    13     1.53072   112.45569  -174.87463
   14    13 S   HC   HG11    14     1.09565   110.75045   -74.99545
   15    13 S   HC   HG12    15     1.09367   109.52810    43.89051
   16    13 S   C    _CD1    16     1.51794   112.01631   164.06456
   17    16 S   O    _OE1    17     1.22851   122.94918    12.45573
   18    16 S   N    _N2_    18     1.38587   112.32786  -167.65915
   19    18 S   H    _HN2    19     1.01823   119.09284     2.42713
   20    18 S   CT1  _CA2    20     1.45910   122.49226   174.75835
   21    20 S   HC   _HA2    21     1.09701   110.06857    17.82585
   22    20 S   C    _C2_    22     1.52837   104.76581   -98.77454
   23    22 S   O    _O2_    23     1.22934   122.68398   -92.03091
   24    20 S   CT   _CB2    32     1.53032   112.25776   141.06355
   25    24 S   HC   HB21    33     1.09449   111.14527    52.18525
   26    24 S   HC   HB22    34     1.09580   109.73910   170.06374
   27    22 S   N    _N3_    24     1.38620   112.74375    84.52072
   28    27 S   H    _HN3    25     1.01563   119.43923     3.70079
   29    24 S   S    _SG2    35     1.82985   111.13185   -71.97475
   30    27 S   CT   _CA3    26     1.45406   122.89850   179.79826
   31    30 S   HC   HA31    27     1.09547   108.84379    32.09405
   32    30 S   HC   HA32    28     1.09483   107.20012   149.01833
   33    29 S   CT   _C19    36     1.84337   100.29865   124.40214
   34    33 S   HC   _H3_    37     1.09595   105.19986    49.51630
   35    30 S   CO3  _C3_    29     1.52972   113.56767   -91.03871
   36    35 S   O2Z  _O31    30     1.26367   115.66184   -38.75713
   37    35 S   O2Z  _O32    31     1.26399   114.80119   142.20028
   38    33 S   CA   _C7_    38     1.52265   110.70882   165.89868
   39    33 S   CM   _C10    54     1.51241   109.76971   -69.78187
   40    39 S   HC   _H30    55     1.09096   115.67761   -54.16652
   41    38 S   CA   _C4_    39     1.40317   119.38511  -117.06604
   42    41 S   HA   _H27    40     1.08759   120.41501     0.08393
   43    39 S   CMA  _C11    56     1.35416   126.63561   124.87419
   44    43 S   OM   _O17    57     1.26731   126.02357     1.95294
   45    41 S   CA   _C5_    41     1.39397   120.70013  -179.77445
   46    45 S   HA   _H28    42     1.08614   119.32642  -179.98022
   47    43 S   OS1  _O25    58     1.41826   109.55332  -179.46992
   48    45 S   CA   _C8_    43     1.39411   119.69034     0.10653
   49    47 S   CO1  _C16    59     1.44008   115.09759   141.18113
   50    49 S   HC   _H35    60     1.09860   109.32259    57.65694
   51    48 S   CA   _C9_    44     1.39890   121.08132     0.07913
   52    48 S   OH   _O19    52     1.37042   119.80179  -180.00000
   53    52 S   HO   _H42    53     0.97199   108.72375    -0.23739
   54    49 S   CT   _C14    61     1.53550   106.53965   175.76275
   55    54 S   HC   _H33    62     1.09540   109.57200    51.61171
   56    38 S   CA   _C6_    45     1.40973   121.92450    63.44602
   57    56 S   HA   _H29    46     1.08631   118.27958    -0.31027
   58    51 S   OS   _O24    47     1.37079   116.07852   179.92338
   59    54 S   CT   _C12    63     1.53126   111.60441   173.78732
   60    59 S   HC   _H31    64     1.09675   110.10902    73.98866
   61    54 S   OH5  _O22    79     1.43019   110.06253   -64.81762
   62    61 S   HO   _H45    80     0.97216   108.11406   -57.57414
   63    58 S   CT   _C17    48     1.42232   117.13728  -179.17885
   64    63 S   HC   _H36    49     1.09429   107.73875   179.52317
   65    63 S   HC   _H37    50     1.09502   111.16754    61.79806
   66    63 S   HC   _H38    51     1.09498   111.13122   -62.77550
   67    59 S   CT   _C13    65     1.53220   111.43765   -48.44591
   68    67 S   HC   _H32    66     1.09617   108.80229   -71.55041
   69    59 S   OH5  _O20    77     1.42931   109.98676  -170.17563
   70    69 S   HO   _H43    78     0.97623   108.33777    51.72149
   71    67 S   CT   _C15    67     1.53342   110.12737    50.11926
   72    71 S   HC   _H34    68     1.09852   110.15690    62.28387
   73    67 S   OH5  _O21    75     1.42655   109.82151   171.57014
   74    73 S   HO   _H44    76     0.97231   108.14089   -56.28696
   75    49 S   OS1  _O18    69     1.43256   111.27742   -64.50950
   76    71 S   CT   _C18    70     1.53096   113.37318  -178.19832
   77    76 S   HC   _H39    71     1.09437   110.90333   -65.79957
   78    76 S   HC   _H40    72     1.09450   109.89318   173.78385
   79    76 S   OH5  _O23    73     1.42197   111.05080    54.57867
   80    79 S   HO   _H46    74     0.97275   106.90571   172.71624
  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   7   3   8   4   6   2   7   3   8   7
  13   6   9   3   1  12   7   3   1   4  13   7   4   1   3   2
   1   1  12   7   3   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    56    57    58    39    40    43  
   40    43    44    47    49    41    56  
   43    44    47  
   42    45    46    48    51    56    57    52  
   45    46    48    56  
   44    47    49    50    54    75  
   47    49  
   46    48    51    56    58    52    53  
   48    51    52  
   49    50    54    55    59    71    75    61  
   51    56    57    58    63    52    53  
   50    54    55    59    60    67    71    72    75    76    69    61    62  
   54    55    59    71    75    61  
   56    57    58    63    64    65    66    52    53  
   53    56    58  
    0  
   55    59    60    67    68    71    75    73    69    70    61    62  
   59    60    67    75    69    61    62  
   57    58    63  
   58  
   63    64    65    66  
   60    67    68    71    72    75    76    73    74    69    70    61    62  
   67    68    71    73    69    70    61  
   62    67    69    75  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    71    72    75    76    77    78    79    73    74    69    70  
   71    72    75    76    73    74    69  
   70    71    73  
    0  
   72    75    76    77    78    79    80    73    74  
   75    76    77    78    79    73  
   74    75    76  
    0  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.460100   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   2.9000   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    56   469.000  1.400
   51    58   450.000  1.364
   56    57   367.000  1.080
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   370.000  1.399
   49    50   360.000  1.097
   49    54   255.000  1.525
   49    75   370.000  1.399
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    61   355.000  1.421
   59    60   340.000  1.090
   59    67   268.000  1.529
   59    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   335.000  1.422
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   355.000  1.421
   79    80   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   61    62   580.000  0.967
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    56    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    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    58    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    63    75.00000  111.00000
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   52    48    51    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    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    60.00000  105.75400
   47    49    54    90.00000  109.70700
   47    49    75   110.00000  113.16000
   49    54    55    45.00000  109.54000
   49    54    59    70.00000  111.10000
   49    54    61    90.00000  109.42000
   49    75    71    90.00000  112.10700
   54    49    50    45.00000  111.65000
   54    59    60    37.50000  110.70000
   54    59    67    58.35000  112.70000
   54    59    69    90.00000  111.45300
   54    61    62    65.00000  108.53500
   59    54    55    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    71    58.35000  112.70000
   59    67    73    90.00000  111.45300
   59    69    70    65.00000  108.53500
   67    59    60    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    95.00000  107.88500
   67    71    76    58.35000  112.70000
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    90.00000  111.45300
   75    49    50    60.00000  105.75400
   75    49    54    90.00000  109.70700
   75    71    72    55.00000  108.98800
   76    71    72    37.50000  110.70000
   76    71    75    95.00000  107.88500
   76    79    80    65.00000  108.53500
   78    76    77    33.00000  107.80000
   79    76    77    60.00000  109.39000
   79    76    78    60.00000  109.39000
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    59    60    60.00000  109.39000
   69    59    67    90.00000  111.45300
   61    54    55    60.00000  109.39000
   61    54    59    90.00000  111.45300
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    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   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    56    51   3.62500 -1.0 2.0
   33    38    56    57   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    56   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    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    58    63   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    58    63    64   0.08050  1.0 3.0
   51    58    63    65   0.08050  1.0 3.0
   51    58    63    66   0.08050  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    51    58    63   1.63200 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   52    48    51    56   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -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    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    75  -0.48150  1.0 1.0
   43    47    49    75   0.09250 -1.0 2.0
   43    47    49    75  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    59   0.62750  1.0 1.0
   47    49    54    59  -0.30950 -1.0 2.0
   47    49    54    59   0.27300  1.0 3.0
   47    49    54    61   1.51850  1.0 1.0
   47    49    75    71  -0.70400  1.0 1.0
   47    49    75    71  -0.90350 -1.0 2.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    67   0.56750  1.0 1.0
   49    54    59    67  -0.07550 -1.0 2.0
   49    54    59    67   0.20000  1.0 3.0
   49    54    59    69  -0.47750  1.0 1.0
   49    54    61    62   0.29150  1.0 1.0
   49    54    61    62  -0.28350 -1.0 2.0
   49    54    61    62   0.43600  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   50    49    54    61   0.23400  1.0 3.0
   50    49    75    71   0.37050  1.0 3.0
   54    49    75    71   0.06250  1.0 1.0
   54    49    75    71  -0.01100 -1.0 2.0
   54    49    75    71   0.28050  1.0 3.0
   54    59    67    68   0.15000  1.0 3.0
   54    59   -67    71   0.56750  1.0 1.0
   54    59   -67    71  -0.07550 -1.0 2.0
   54    59   -67    71   0.20000  1.0 3.0
   54    59    67    73  -0.47750  1.0 1.0
   54    59    69    70   0.29150  1.0 1.0
   54    59    69    70  -0.28350 -1.0 2.0
   54    59    69    70   0.43600  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    67   0.15000  1.0 3.0
   55    54    59    69   0.23400  1.0 3.0
   55    54    61    62   0.19450  1.0 3.0
   59    54    61    62   0.29150  1.0 1.0
   59    54    61    62  -0.28350 -1.0 2.0
   59    54    61    62   0.43600  1.0 3.0
   59    67    71    72   0.15000  1.0 3.0
   59    67    71    75   0.62750  1.0 1.0
   59    67    71    75  -0.30950 -1.0 2.0
   59    67    71    75   0.27300  1.0 3.0
   59    67    71    76   0.56750  1.0 1.0
   59    67    71    76  -0.07550 -1.0 2.0
   59    67    71    76   0.20000  1.0 3.0
   59    67    73    74   0.29150  1.0 1.0
   59    67    73    74  -0.28350 -1.0 2.0
   59    67    73    74   0.43600  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    71   0.15000  1.0 3.0
   60    59    67    73   0.23400  1.0 3.0
   60    59    69    70   0.19450  1.0 3.0
   67    59    69    70   0.29150  1.0 1.0
   67    59    69    70  -0.28350 -1.0 2.0
   67    59    69    70   0.43600  1.0 3.0
   67    71   -75    49   0.06250  1.0 1.0
   67    71   -75    49  -0.01100 -1.0 2.0
   67    71   -75    49   0.28050  1.0 3.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79  -0.47750  1.0 1.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    76    79    80   0.29150  1.0 1.0
   71    76    79    80  -0.28350 -1.0 2.0
   71    76    79    80   0.43600  1.0 3.0
   72    71    75    49   0.37050  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.23400  1.0 3.0
   75    49    54    55   0.23400  1.0 3.0
   75    49   -54    59   0.62750  1.0 1.0
   75    49   -54    59  -0.30950 -1.0 2.0
   75    49   -54    59   0.27300  1.0 3.0
   75    49    54    61   1.51850  1.0 1.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   1.51850  1.0 1.0
   76    71    75    49   0.06250  1.0 1.0
   76    71    75    49  -0.01100 -1.0 2.0
   76    71    75    49   0.28050  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80   0.19450  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   1.51850  1.0 1.0
   73    67    71    76  -0.47750  1.0 1.0
   69    59    67    68   0.23400  1.0 3.0
   69    59    67    71  -0.47750  1.0 1.0
   69    59    67    73   3.77950  1.0 1.0
   61    54    59    60   0.23400  1.0 3.0
   61    54    59    67  -0.47750  1.0 1.0
   61    54    59    69   3.77950  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   56    58    51    48   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
END
