* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    153    243     450
    1     0 S   NP   _N1_     1    28.55933    94.55591   -22.47208
    2     1 S   H    _HN1     2     1.02779    98.52734   -78.26203
    3     1 S   H    _H1_     3     1.02963    84.61004    29.51170
    4     1 S   H    _H2_     4     1.02836    29.17929   170.06912
    5     1 S   CT   _CA1     5     1.50124   137.93155   144.19023
    6     5 S   HC   _HA1     6     1.09577   105.22038    72.25157
    7     5 S   CO3  _C1_     7     1.53783   112.43982   -47.92676
    8     7 S   O2Z  _O11     8     1.26357   115.00015   -42.56735
    9     7 S   O2Z  _O12     9     1.26244   114.92618   136.61498
   10     5 S   CT   _CB1    10     1.53096   107.42230  -169.84503
   11    10 S   HC   HB11    11     1.09825   109.29167   -50.86937
   12    10 S   HC   HB12    12     1.09820   110.41931    65.66948
   13    10 S   CT   _CG1    13     1.53006   112.70049  -171.99075
   14    13 S   HC   HG11    14     1.09601   110.43247   -64.53035
   15    13 S   HC   HG12    15     1.09655   109.98486    54.69581
   16    13 S   C    _CD1    16     1.51816   112.35121   175.02075
   17    16 S   O    _OE1    17     1.22719   123.27723    -2.06071
   18    16 S   N    _N2_    18     1.38618   111.59878   178.23154
   19    18 S   H    _HN2    19     1.01574   119.04638     1.30206
   20    18 S   CT1  _CA2    20     1.46225   123.44674  -179.97202
   21    20 S   HC   _HA2    21     1.09744   109.43328    -4.94070
   22    20 S   C    _C2_    22     1.53453   108.27053  -120.45145
   23    22 S   O    _O2_    23     1.23010   122.31641  -144.31291
   24    20 S   CT   _CB2    32     1.53425   111.45294   117.07365
   25    24 S   HC   HB21    33     1.09479   109.71184    56.10392
   26    24 S   HC   HB22    34     1.09450   109.76753   174.93740
   27    22 S   N    _N3_    24     1.38535   113.39262    43.04791
   28    27 S   H    _HN3    25     1.01499   118.96571    -0.52563
   29    24 S   S    _SG2    35     1.83039   111.12458   -65.63281
   30    27 S   CT   _CA3    26     1.45448   123.40991   174.89631
   31    30 S   HC   HA31    27     1.09525   109.19975    25.28190
   32    30 S   HC   HA32    28     1.09493   107.13132   142.30351
   33    29 S   CT   _C16    36     1.88095   101.47487   165.18844
   34    30 S   CO3  _C3_    29     1.52940   113.14835   -98.15088
   35    34 S   O2Z  _O31    30     1.26403   115.43946   -43.22983
   36    34 S   O2Z  _O32    31     1.26361   114.95863   137.69496
   37    33 S   CM   _C15    37     1.50906   105.96348    63.83973
   38    37 S   HC   _H8_    38     1.09181   114.37860   -70.78840
   39    33 S   CT   _C17    74     1.55587   110.52773  -175.38815
   40    39 S   HC   _H3_    75     1.09699   110.03930    42.86766
   41    33 S   OS   _O38    80     1.44519   111.09688   -51.05587
   42    37 S   CMA  _C14    39     1.35441   129.52699   110.32629
   43    42 S   OM   _O39    40     1.26873   125.60042  -179.15373
   44    39 S   OH   _O37    76     1.44317   109.45415   156.08770
   45    44 S   HO   _H10    77     0.97601   106.63890    79.65561
   46    41 S   CT   _C20    81     1.42219   117.03528   -62.75510
   47    46 S   HC   _H11    82     1.09393   107.64142  -175.44491
   48    46 S   HC   _H12    83     1.09287   111.38936    66.91884
   49    46 S   HC   _H13    84     1.09207   112.30443   -56.95416
   50    42 S   CT   _C13    41     1.59690   120.01139     0.87826
   51    50 S   OM   _O40    42     1.34006   106.66541    97.04444
   52    50 S   CMA  _C12    43     1.62445   112.77026  -140.45602
   53    52 S   OM   _O34    44     1.27134   114.77787   -94.20574
   54    52 S   CM   _C10    45     1.35802   116.37966    82.11552
   55    54 S   CM   _C9_    46     1.44095   123.02315     7.73144
   56    54 S   CO4  _C11    56     1.50737   121.14344  -172.46873
   57    56 S   O    _O33    57     1.22369   123.34187   -37.25955
   58    55 S   CM   _C8_    47     1.34031   121.97373  -158.21980
   59    58 S   HC   _H7_    48     1.08559   121.91257  -178.54303
   60    55 S   CO4  _C19    71     1.48275   119.00554    27.35054
   61    60 S   O    _O35    72     1.23319   120.21132   151.18260
   62    58 S   CA   _C7_    49     1.46778   120.12432     1.50948
   63    50 S   CT   _C18    73     1.59560   110.23588   -17.26870
   64    62 S   CA   _C21    50     1.39860   118.97711   169.20785
   65    64 S   HA   _H14    51     1.08760   120.16344    -0.81637
   66    63 S   OH   _O36    78     1.44965   111.32727   164.56214
   67    66 S   HO   _H9_    79     0.97372   106.42636    23.12276
   68    64 S   CA   _C22    52     1.39117   119.85404   178.57646
   69    68 S   CA   _C23    53     1.39969   120.37542     0.98019
   70    68 S   OH   _O43    69     1.36880   119.85682  -178.51496
   71    70 S   HO   _H18    70     0.97249   108.95660    -1.00034
   72    69 S   CA   _C5_    54     1.41118   121.25932    -0.33220
   73    69 S   CO4  _C24    62     1.47164   118.25358  -178.61619
   74    73 S   O    _O41    63     1.21866   123.70887   107.98353
   75    62 S   CA   _C6_    55     1.41282   121.03617   -12.55393
   76    72 S   CT   _C4_    58     1.50728   120.61674   178.59319
   77    76 S   HC   _H4_    59     1.09495   110.81716  -137.46519
   78    76 S   HC   _H5_    60     1.09404   112.51782   -20.06546
   79    76 S   HC   _H6_    61     1.09423   110.17294   100.72238
   80    73 S   OS   _O42    64     1.35603   107.81339   -73.63292
   81    80 S   CT   _C25    65     1.42986   114.84514  -179.19109
   82    81 S   HC   _H15    66     1.09327   108.13024  -179.38293
   83    81 S   HC   _H16    67     1.09429   110.26533    61.91086
   84    81 S   HC   _H17    68     1.09431   110.32641   -60.65859
  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
  17   2   1   1  12   5  15   7   7   9   4   5   1   3   2   1
   1  11   6  10   4  11  11   9   3  10   4   5   2   8   2   8
   4   1   1   9  12   3   1   8   8   2   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    63    39    40    44    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    50    60    63    39    40    44    45    66    41    46    47    48    49  
   35    36  
   36  
    0  
   38    42    43    50    51    52    63    39    40    44    41    46  
   42    43    50    39    41  
   40    44    45    66    67    41    46    42    50    51    52    55    60    61    63  
   44    45    66    41    50    60    63  
   46    47    48    49    42    44    63  
   43    50    51    52    53    54    60    63    66  
   50    51    52    63  
   45    66    50    60    63  
   63  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    60    61    63    66    67  
   52    53    54    60    63    66  
   53    54    55    58    75    56    57    60    63    66  
   54    55    56    63  
   55    58    59    62    72    75    56    57    60    61    63  
   58    59    62    64    75    56    57    60    61    63    66  
   57    76    60    58    62    64    69    72    75  
   62    72    75  
   59    62    64    65    68    72    75    60    61    63  
   62    64    75    60  
   61    63    66    67    62  
   63    66  
   64    65    68    69    72    75    76    70  
   66    67  
   65    68    69    72    75    73    70    71  
   68    69    75    70  
   67  
    0  
   69    72    75    76    73    74    80    70    71  
   72    75    76    77    78    79    73    74    80    81    70    71  
   71    72    73  
    0  
   75    76    77    78    79    73    74    80  
   74    80    81    82    83    84    75    76  
   80    81  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.417900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    50   270.000  1.512
   50    51   570.000  1.307
   50    52   270.000  1.512
   50    63   268.000  1.529
   52    53   745.000  1.250
   52    54   465.000  1.376
   54    55   380.000  1.444
   54    56   320.000  1.462
   55    58   549.000  1.340
   55    60   320.000  1.462
   58    59   340.000  1.080
   58    62   320.000  1.460
   62    64   469.000  1.400
   62    75   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    72   469.000  1.400
   69    73   310.000  1.470
   72    75   469.000  1.400
   72    76   317.000  1.510
   75    56   310.000  1.470
   56    57   570.000  1.229
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   73    74   570.000  1.229
   73    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   70    71   553.000  0.945
   60    61   570.000  1.229
   60    63   317.000  1.522
   63    39   268.000  1.529
   63    66   320.000  1.410
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   66    67   553.000  0.945
   41    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
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    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    63    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    46    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    50    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    50    51    85.00000  110.90400
   42    50    52    70.00000  110.12100
   42    50    63    70.00000  112.02700
   50    42    43    85.00000  112.85300
   50    52    53    85.00000  112.85300
   50    52    54    65.00000  122.18000
   50    63    60    63.00000  111.10000
   50    63    39    58.35000  112.70000
   50    63    66    50.00000  109.50000
   52    50    51    85.00000  110.90400
   52    54    55    70.00000  117.34000
   52    54    56    60.00000  125.92000
   54    52    53    65.00000  137.10300
   54    55    58    70.00000  123.01800
   54    55    60    65.00000  118.96000
   54    56    75    65.00000  117.02400
   54    56    57    80.00000  123.72100
   55    58    59    35.00000  120.00000
   55    58    62    60.00000  123.20500
   55    60    61    80.00000  123.72100
   55    60    63    65.00000  118.62400
   58    62    64    60.00000  120.93500
   58    62    75    60.00000  120.93500
   62    58    59    40.00000  117.26300
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    75    72    63.00000  120.00000
   62    75    56    60.00000  119.52600
   64    68    69    63.00000  120.00000
   64    68    70    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    72    63.00000  120.00000
   68    69    73    60.00000  119.52600
   68    70    71    35.00000  113.00000
   69    72    75    63.00000  120.00000
   69    72    76    70.00000  120.00000
   69    73    74    75.00000  123.78400
   69    73    80    81.00000  111.40000
   72    75    56    60.00000  119.52600
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   75    62    64    63.00000  120.00000
   75    56    57    75.00000  123.78400
   56    54    55    65.00000  118.96000
   76    72    75    70.00000  120.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   73    69    72    60.00000  119.52600
   73    80    81    83.00000  116.90000
   80    73    74    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    68    69    70.00000  120.00000
   60    55    58    65.00000  118.96000
   60    63    39    63.00000  111.10000
   60    63    66    90.00000  109.61100
   63    50    51    50.00000  109.50000
   63    50    52    70.00000  112.02700
   63    60    61    80.00000  120.40000
   63    39    40    37.50000  110.70000
   63    39    44    50.00000  109.50000
   63    66    67    55.00000  108.50000
   39    33    37    70.00000  112.02700
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   66    63    39    50.00000  109.50000
   41    33    37    85.00000  110.90400
   41    33    39    50.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    46   0.14700  1.0 1.0
   29    33    41    46  -1.16150 -1.0 2.0
   29    33    41    46   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    50   7.00000 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   0.37050  1.0 3.0
   33    41    46    48   0.37050  1.0 3.0
   33    41    46    49   0.37050  1.0 3.0
   37    33    39    63   0.34400  1.0 1.0
   37    33    39    63   0.09450 -1.0 2.0
   37    33    39    63   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    44   1.05650  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44   0.53150  1.0 3.0
   37    33    41    46  -0.77900  1.0 1.0
   37    33    41    46  -0.36900 -1.0 2.0
   37    33    41    46   0.40400  1.0 3.0
   37    42    50    51   0.39000  1.0 1.0
   37    42    50    51  -0.05800 -1.0 2.0
   37    42    50    51  -0.55150  1.0 3.0
   37    42    50    52  -0.28300  1.0 1.0
   37    42    50    52   0.26700 -1.0 2.0
   37    42    50    52  -0.63300  1.0 3.0
   37    42   -50    63   0.09850  1.0 1.0
   37    42   -50    63   0.15250 -1.0 2.0
   37    42   -50    63  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    50   7.00000 -1.0 2.0
   42    50    52    53   0.09700  1.0 1.0
   42    50    52    53   0.15600 -1.0 2.0
   42    50    52    53  -0.50800  1.0 3.0
   42    50    52    54  -0.28300  1.0 1.0
   42    50    52    54   0.26700 -1.0 2.0
   42    50    52    54  -0.63300  1.0 3.0
   42    50    63    60  -0.98800  1.0 1.0
   42    50    63    60   0.48800 -1.0 2.0
   42    50    63    60   0.76800  1.0 3.0
   42    50    63    39   0.34400  1.0 1.0
   42    50    63    39   0.09450 -1.0 2.0
   42    50    63    39   0.11100  1.0 3.0
   42    50    63    66   1.05650  1.0 1.0
   42    50    63    66   0.15600 -1.0 2.0
   42    50    63    66   0.53150  1.0 3.0
   43    42    50    51   0.09700  1.0 1.0
   43    42    50    51   0.15600 -1.0 2.0
   43    42    50    51  -0.50800  1.0 3.0
   43    42    50    52   0.09700  1.0 1.0
   43    42    50    52   0.15600 -1.0 2.0
   43    42    50    52  -0.50800  1.0 3.0
   43    42    50    63   0.09700  1.0 1.0
   43    42    50    63   0.15600 -1.0 2.0
   43    42    50    63  -0.50800  1.0 3.0
   50    52    54    55   7.00000 -1.0 2.0
   50    52    54    56   7.00000 -1.0 2.0
   50    63   -39    33   0.56750  1.0 1.0
   50    63   -39    33  -0.07550 -1.0 2.0
   50    63   -39    33   0.20000  1.0 3.0
   50    63    39    40   0.15000  1.0 3.0
   50    63    39    44   0.86500  1.0 1.0
   50    63    39    44  -0.17500 -1.0 2.0
   50    63    39    44   0.20800  1.0 3.0
   50    63    66    67  -0.11600  1.0 1.0
   50    63    66    67  -0.09450 -1.0 2.0
   50    63    66    67   0.21250  1.0 3.0
   51    50    52    53   0.09700  1.0 1.0
   51    50    52    53   0.15600 -1.0 2.0
   51    50    52    53  -0.50800  1.0 3.0
   51    50    52    54   0.39000  1.0 1.0
   51    50    52    54  -0.05800 -1.0 2.0
   51    50    52    54  -0.55150  1.0 3.0
   51    50    63    60  -0.09450  1.0 1.0
   51    50    63    60  -1.12950 -1.0 2.0
   51    50    63    60   0.54000  1.0 3.0
   51    50    63    39   0.62750  1.0 1.0
   51    50    63    39  -0.30950 -1.0 2.0
   51    50    63    39   0.27300  1.0 3.0
   51    50    63    66   3.69350  1.0 1.0
   51    50    63    66  -1.82950 -1.0 2.0
   52    50    63    60  -0.98800  1.0 1.0
   52    50    63    60   0.48800 -1.0 2.0
   52    50    63    60   0.76800  1.0 3.0
   52    50    63    39   0.34400  1.0 1.0
   52    50    63    39   0.09450 -1.0 2.0
   52    50    63    39   0.11100  1.0 3.0
   52    50    63    66   1.05650  1.0 1.0
   52    50    63    66   0.15600 -1.0 2.0
   52    50    63    66   0.53150  1.0 3.0
   52    54    55    58   0.28850  1.0 1.0
   52    54    55    58   2.61350 -1.0 2.0
   52    54    55    58   0.78400  1.0 3.0
   52    54   -55    60  -0.18600  1.0 3.0
   52    54    56    75  -1.65800  1.0 1.0
   52    54    56    75   0.77650 -1.0 2.0
   52    54    56    57   1.00000 -1.0 2.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    55    58    59   7.00000 -1.0 2.0
   54    55    58    62   7.00000 -1.0 2.0
   54    55    60    61   1.00000 -1.0 2.0
   54    55    60    63  -0.33500  1.0 1.0
   54    55    60    63   1.06600 -1.0 2.0
   54    55    60    63  -0.14000  1.0 3.0
   55    54    56    75  -1.65800  1.0 1.0
   55    54    56    75   0.77650 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    58    62    64   0.15800  1.0 1.0
   55    58    62    64   1.85350 -1.0 2.0
   55    58    62    64  -0.48700  1.0 3.0
   55    58   -62    75   0.15800  1.0 1.0
   55    58   -62    75   1.85350 -1.0 2.0
   55    58   -62    75  -0.48700  1.0 3.0
   55    60   -63    50   0.65300  1.0 1.0
   55    60   -63    50  -0.03850 -1.0 2.0
   55    60   -63    50   0.33900  1.0 3.0
   55    60    63    39   0.65300  1.0 1.0
   55    60    63    39  -0.03850 -1.0 2.0
   55    60    63    39   0.33900  1.0 3.0
   55    60    63    66   0.65300  1.0 1.0
   55    60    63    66  -0.03850 -1.0 2.0
   55    60    63    66   0.33900  1.0 3.0
   58    55    60    61   1.00000 -1.0 2.0
   58    55    60    63  -0.33500  1.0 1.0
   58    55    60    63   1.06600 -1.0 2.0
   58    55    60    63  -0.14000  1.0 3.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    75    72   3.62500 -1.0 2.0
   58    62    75    56   3.62500 -1.0 2.0
   59    58    62    64   0.56550  1.0 3.0
   59    58    62    75   0.56550  1.0 3.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    70   3.62500 -1.0 2.0
   62    75   -56    54  -0.11500  1.0 1.0
   62    75   -56    54   1.10450 -1.0 2.0
   62    75   -56    54  -0.48050  1.0 3.0
   62    75    56    57   1.05000 -1.0 2.0
   64    62    75    72   3.62500 -1.0 2.0
   64    62    75    56   3.62500 -1.0 2.0
   64    68   -69    72   3.62500 -1.0 2.0
   64    68    69    73   3.62500 -1.0 2.0
   64    68    70    71   0.84100 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    69    72    75   3.62500 -1.0 2.0
   68    69    72    76   3.62500 -1.0 2.0
   68    69    73    74   1.05000 -1.0 2.0
   68    69    73    80   0.98750 -1.0 2.0
   69    68    70    71   0.84100 -1.0 2.0
   69    72   -75    62   3.62500 -1.0 2.0
   69    72    75    56   3.62500 -1.0 2.0
   69    72    76    77   0.00000  1.0 1.0
   69    72    76    78   0.00000  1.0 1.0
   69    72    76    79   0.00000  1.0 1.0
   69    73    80    81   0.59950  1.0 1.0
   69    73    80    81   3.24850 -1.0 2.0
   72    69    73    74   1.05000 -1.0 2.0
   72    69    73    80   0.98750 -1.0 2.0
   72    75    56    54  -0.11500  1.0 1.0
   72    75    56    54   1.10450 -1.0 2.0
   72    75    56    54  -0.48050  1.0 3.0
   72    75    56    57   1.05000 -1.0 2.0
   75    62    64    65   3.62500 -1.0 2.0
   75    62   -64    68   3.62500 -1.0 2.0
   75    72    76    77   0.00000  1.0 1.0
   75    72    76    78   0.00000  1.0 1.0
   75    72    76    79   0.00000  1.0 1.0
   56    54   -55    58  -0.18600  1.0 3.0
   56    54    55    60   1.08500 -1.0 2.0
   76    72    75    62   3.62500 -1.0 2.0
   76    72    75    56   3.62500 -1.0 2.0
   73    69    72    75   3.62500 -1.0 2.0
   73    69    72    76   3.62500 -1.0 2.0
   73    80    81    82   0.08050  1.0 3.0
   73    80    81    83   0.08050  1.0 3.0
   73    80    81    84   0.08050  1.0 3.0
   74    73    80    81   3.00000 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    68    69    73   3.62500 -1.0 2.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    62   7.00000 -1.0 2.0
   60    63    39    33  -0.95700  1.0 1.0
   60    63    39    33  -0.18200 -1.0 2.0
   60    63    39    33   0.29450  1.0 3.0
   60    63    39    40  -0.11250  1.0 3.0
   60    63    39    44  -0.09450  1.0 1.0
   60    63    39    44  -1.12950 -1.0 2.0
   60    63    39    44   0.54000  1.0 3.0
   60    63    66    67   0.91850  1.0 1.0
   60    63    66    67   0.57950  1.0 3.0
   61    60    63    50   0.30150 -1.0 2.0
   61    60    63    39   0.30150 -1.0 2.0
   61    60    63    66   0.30150 -1.0 2.0
   63    50    52    53   0.09700  1.0 1.0
   63    50    52    53   0.15600 -1.0 2.0
   63    50    52    53  -0.50800  1.0 3.0
   63    50   -52    54   0.09850  1.0 1.0
   63    50   -52    54   0.15250 -1.0 2.0
   63    50   -52    54  -0.50650  1.0 3.0
   63    39    44    45  -0.11600  1.0 1.0
   63    39    44    45  -0.09450 -1.0 2.0
   63    39    44    45   0.21250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    42   0.09850  1.0 1.0
   39    33   -37    42   0.15250 -1.0 2.0
   39    33   -37    42  -0.50650  1.0 3.0
   39    33    41    46   0.06250  1.0 1.0
   39    33    41    46  -0.01100 -1.0 2.0
   39    33    41    46   0.28050  1.0 3.0
   39    63    66    67  -0.11600  1.0 1.0
   39    63    66    67  -0.09450 -1.0 2.0
   39    63    66    67   0.21250  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   66    63    39    33   0.86500  1.0 1.0
   66    63    39    33  -0.17500 -1.0 2.0
   66    63    39    33   0.20800  1.0 3.0
   66    63    39    40   0.23400  1.0 3.0
   66    63    39    44   3.75450  1.0 1.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    63   0.62750  1.0 1.0
   41    33    39    63  -0.30950 -1.0 2.0
   41    33    39    63   0.27300  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   3.69350  1.0 1.0
   41    33    39    44  -1.82950 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   50    43    42    37   1.10000 -1.0 2.0
   50    53    52    54   1.10000 -1.0 2.0
   55    56    54    52   1.10000 -1.0 2.0
   54    60    55    58   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   64    75    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   69    70    68    64   4.00000 -1.0 2.0
   72    73    69    68   4.00000 -1.0 2.0
   75    76    72    69   4.00000 -1.0 2.0
   72    56    75    62   4.00000 -1.0 2.0
   54    75    56    57  10.50000 -1.0 2.0
   69    80    73    74  10.50000 -1.0 2.0
   55    63    60    61  10.50000 -1.0 2.0
END
