* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    158    243     457
    1     0 S   NP   _N1_     1    30.54577    98.69472   -26.55036
    2     1 S   H    _HN1     2     1.02854    72.44838   -52.26132
    3     1 S   H    _H1_     3     1.02755    56.19939  -178.27728
    4     1 S   H    _H2_     4     1.03478   161.48400  -147.22466
    5     1 S   CT   _CA1     5     1.50072    84.43562    61.74252
    6     5 S   HC   _HA1     6     1.09550   104.87838   110.12651
    7     5 S   CO3  _C1_     7     1.53653   113.31026   -10.49582
    8     7 S   O2Z  _O11     8     1.26388   115.10048   -33.84561
    9     7 S   O2Z  _O12     9     1.26241   115.00794   145.50265
   10     5 S   CT   _CB1    10     1.53017   107.43503  -131.46491
   11    10 S   HC   HB11    11     1.09552   109.45083   -39.99428
   12    10 S   HC   HB12    12     1.09837   110.43614    75.59697
   13    10 S   CT   _CG1    13     1.53242   112.98998  -162.57485
   14    13 S   HC   HG11    14     1.09550   110.88826   -95.35293
   15    13 S   HC   HG12    15     1.09601   111.58990    23.91241
   16    13 S   C    _CD1    16     1.51550   109.29288   144.69327
   17    16 S   O    _OE1    17     1.22807   121.77468    84.62067
   18    16 S   N    _N2_    18     1.38580   112.53784   -91.86853
   19    18 S   H    _HN2    19     1.01562   119.21269    -4.57817
   20    18 S   CT1  _CA2    20     1.46214   123.55409   173.39200
   21    20 S   HC   _HA2    21     1.09713   109.21462    -7.04136
   22    20 S   C    _C2_    22     1.53885   109.01370  -122.76922
   23    22 S   O    _O2_    23     1.23090   122.08189  -157.69622
   24    20 S   CT   _CB2    32     1.53457   111.75066   115.31530
   25    24 S   HC   HB21    33     1.09461   109.54150    57.39750
   26    24 S   HC   HB22    34     1.09492   109.83966   175.96105
   27    22 S   N    _N3_    24     1.38336   114.14958    28.93401
   28    27 S   H    _HN3    25     1.01426   119.09787    -2.18185
   29    24 S   S    _SG2    35     1.82789   111.76030   -64.39099
   30    27 S   CT   _CA3    26     1.45335   123.38729   178.07339
   31    30 S   HC   HA31    27     1.09553   107.20654   -69.74767
   32    30 S   HC   HA32    28     1.09556   108.21621    46.59401
   33    29 S   CT   _C16    36     1.93212   100.71907   171.88925
   34    30 S   CO3  _C3_    29     1.53035   114.40934   168.66379
   35    34 S   O2Z  _O31    30     1.26433   116.32730    -6.99751
   36    34 S   O2Z  _O32    31     1.26407   114.44328   173.14648
   37    33 S   CM   _C15    37     1.51792   103.01303   -80.70812
   38    37 S   HC   _H8_    38     1.09067   114.71071    64.45512
   39    33 S   CT   _C17    77     1.58126   112.99063   157.49443
   40    39 S   OM   _O37    78     1.33166   110.41303   -42.22555
   41    39 S   HC   _H3_    79     1.09615   105.67780  -167.43838
   42    33 S   OS   _O38    82     1.44671   106.67696    34.47611
   43    37 S   CMA  _C14    39     1.35475   128.93401  -115.36256
   44    43 S   OM   _O39    40     1.27192   125.66790   177.93920
   45    42 S   CT   _C20    83     1.42003   117.15019  -178.10731
   46    45 S   HC   _H10    84     1.09396   107.71616   164.87756
   47    45 S   HC   _H11    85     1.09280   112.35911    46.03406
   48    45 S   HC   _H12    86     1.09300   110.68430   -78.12969
   49    43 S   CT   _C13    41     1.61245   118.88417    -2.08488
   50    49 S   OM   _O40    42     1.34085   110.97822   143.67432
   51    49 S   CMA  _C12    43     1.62365   114.11774   -95.63701
   52    51 S   OM   _O34    44     1.26930   113.29543   -26.01881
   53    51 S   CM   _C10    45     1.36563   118.21991   153.77651
   54    53 S   CM   _C9_    46     1.44996   123.59715     2.11609
   55    53 S   CO4  _C11    56     1.51332   120.09478  -177.51084
   56    55 S   O    _O33    57     1.22523   122.96814    30.59756
   57    54 S   CM   _C8_    47     1.34078   122.15215   165.39624
   58    57 S   HC   _H7_    48     1.08579   121.65143   179.46808
   59    54 S   CO4  _C19    74     1.49135   120.13879   -15.17153
   60    59 S   O    _O35    75     1.23234   121.26896   170.64420
   61    57 S   CA   _C7_    49     1.46620   120.93522    -2.73960
   62    49 S   CT   _C18    76     1.60352   108.44038    26.24216
   63    61 S   CA   _C21    50     1.40328   118.61481  -171.55241
   64    63 S   HA   _H13    51     1.08679   118.47155    -0.48698
   65    62 S   OH   _O36    80     1.43964   110.73206    66.26246
   66    65 S   HO   _H9_    81     0.97308   105.81828  -166.82009
   67    63 S   CA   _C22    52     1.39424   120.73884   179.92598
   68    67 S   CA   _C23    53     1.40589   118.64511    -1.36544
   69    67 S   OS   _O43    69     1.37140   124.75201   178.45592
   70    68 S   CA   _C5_    54     1.41327   122.19369     0.64133
   71    68 S   CO4  _C24    62     1.47300   117.97759   179.00515
   72    71 S   O    _O41    63     1.21846   123.75551  -104.37376
   73    69 S   CT   _C26    70     1.42230   117.49950     0.24549
   74    73 S   HC   _H17    71     1.09428   107.72705  -179.93744
   75    73 S   HC   _H18    72     1.09493   111.12841    62.36111
   76    73 S   HC   _H19    73     1.09493   111.14561   -62.22780
   77    61 S   CA   _C6_    55     1.40723   121.20581     8.65835
   78    70 S   CT   _C4_    58     1.50822   120.40779  -178.61803
   79    78 S   HC   _H4_    59     1.09425   110.19427  -100.38045
   80    78 S   HC   _H5_    60     1.09399   112.60312    20.39187
   81    78 S   HC   _H6_    61     1.09498   110.80609   137.68730
   82    71 S   OS   _O42    64     1.35602   107.66875    76.97142
   83    82 S   CT   _C25    65     1.42983   114.82021   179.41717
   84    83 S   HC   _H14    66     1.09327   108.12981   179.50544
   85    83 S   HC   _H15    67     1.09431   110.31637    60.78464
   86    83 S   HC   _H16    68     1.09429   110.27211   -61.78497
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  12   5  14   6   5   6   9   4   3   2   1   1
  11   6  10   4  11  11   9   3  10   4   5   2   8   2   8   4
   1   1  12  12   6   8   8   2   3   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    62    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    59    62    39    40    41    65    42    45    46    47    48  
   35    36  
   36  
    0  
   38    43    44    49    50    51    62    39    40    41    42    45  
   43    44    49    39    42  
   40    41    65    66    42    45    43    49    50    51    54    59    60    62  
   41    65    42    49    59    62  
   65    42    49    59    62  
   45    46    47    48    43    62  
   44    49    50    51    52    53    59    62    65  
   49    50    51    62  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    59    60    62    65    66  
   51    52    53    59    62    65  
   52    53    54    57    77    55    56    59    62    65  
   53    54    55    62  
   54    57    58    61    70    77    55    56    59    60    62  
   57    58    61    63    77    55    56    59    60    62    65  
   56    78    59    57    61    63    68    70    77  
   61    70    77  
   58    61    63    64    67    70    77    59    60    62  
   61    63    77    59  
   60    62    65    66    61  
   62    65  
   63    64    67    68    70    77    78    69  
   65    66  
   64    67    68    70    77    71    69    73  
   67    68    77    69  
   66  
    0  
   68    70    77    78    71    72    82    69    73    74    75    76  
   70    77    78    79    80    81    71    72    82    83    69    73  
   73    74    75    76    70    71  
   77    78    79    80    81    71    72    82  
   72    82    83    84    85    86    77    78  
   82    83  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   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    42   320.000  1.410
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    49   270.000  1.512
   49    50   570.000  1.307
   49    51   270.000  1.512
   49    62   268.000  1.529
   51    52   745.000  1.250
   51    53   465.000  1.376
   53    54   380.000  1.444
   53    55   320.000  1.462
   54    57   549.000  1.340
   54    59   320.000  1.462
   57    58   340.000  1.080
   57    61   320.000  1.460
   61    63   469.000  1.400
   61    77   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    70   469.000  1.400
   68    71   310.000  1.470
   70    77   469.000  1.400
   70    78   317.000  1.510
   77    55   310.000  1.470
   55    56   570.000  1.229
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   71    72   570.000  1.229
   71    82   214.000  1.327
   82    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   59    60   570.000  1.229
   59    62   317.000  1.522
   62    39   268.000  1.529
   62    65   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   65    66   553.000  0.945
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    62    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    45    60.00000  109.50000
   37    43    44    65.00000  137.10300
   37    43    49    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    49    50    85.00000  110.90400
   43    49    51    70.00000  110.12100
   43    49    62    70.00000  112.02700
   49    43    44    85.00000  112.85300
   49    51    52    85.00000  112.85300
   49    51    53    65.00000  122.18000
   49    62    59    63.00000  111.10000
   49    62    39    58.35000  112.70000
   49    62    65    50.00000  109.50000
   51    49    50    85.00000  110.90400
   51    53    54    70.00000  117.34000
   51    53    55    60.00000  125.92000
   53    51    52    65.00000  137.10300
   53    54    57    70.00000  123.01800
   53    54    59    65.00000  118.96000
   53    55    77    65.00000  117.02400
   53    55    56    80.00000  123.72100
   54    57    58    35.00000  120.00000
   54    57    61    60.00000  123.20500
   54    59    60    80.00000  123.72100
   54    59    62    65.00000  118.62400
   57    61    63    60.00000  120.93500
   57    61    77    60.00000  120.93500
   61    57    58    40.00000  117.26300
   61    63    64    35.00000  120.00000
   61    63    67    63.00000  120.00000
   61    77    70    63.00000  120.00000
   61    77    55    60.00000  119.52600
   63    67    68    63.00000  120.00000
   63    67    69    70.00000  120.00000
   67    63    64    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    68    71    60.00000  119.52600
   67    69    73    75.00000  111.00000
   68    70    77    63.00000  120.00000
   68    70    78    70.00000  120.00000
   68    71    72    75.00000  123.78400
   68    71    82    81.00000  111.40000
   70    77    55    60.00000  119.52600
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    35.00000  109.50000
   77    61    63    63.00000  120.00000
   77    55    56    75.00000  123.78400
   55    53    54    65.00000  118.96000
   78    70    77    70.00000  120.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   71    68    70    60.00000  119.52600
   71    82    83    83.00000  116.90000
   82    71    72    83.00000  123.40000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    67    68    70.00000  120.00000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   59    54    57    65.00000  118.96000
   59    62    39    63.00000  111.10000
   59    62    65    90.00000  109.61100
   62    49    50    50.00000  109.50000
   62    49    51    70.00000  112.02700
   62    59    60    80.00000  120.40000
   62    39    40    50.00000  109.50000
   62    39    41    37.50000  110.70000
   62    65    66    55.00000  108.50000
   39    33    37    70.00000  112.02700
   41    39    40    45.00000  125.66300
   65    62    39    50.00000  109.50000
   42    33    37    85.00000  110.90400
   42    33    39    50.00000  109.50000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    45   0.14700  1.0 1.0
   29    33    42    45  -1.16150 -1.0 2.0
   29    33    42    45   0.48700  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    49   7.00000 -1.0 2.0
   33    42    45    46   0.37050  1.0 3.0
   33    42    45    47   0.37050  1.0 3.0
   33    42    45    48   0.37050  1.0 3.0
   37    33    39    62   0.34400  1.0 1.0
   37    33    39    62   0.09450 -1.0 2.0
   37    33    39    62   0.11100  1.0 3.0
   37    33    39    40   0.61850  1.0 1.0
   37    33    39    40  -0.22750 -1.0 2.0
   37    33    39    40   0.15300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    45  -0.77900  1.0 1.0
   37    33    42    45  -0.36900 -1.0 2.0
   37    33    42    45   0.40400  1.0 3.0
   37    43    49    50   0.39000  1.0 1.0
   37    43    49    50  -0.05800 -1.0 2.0
   37    43    49    50  -0.55150  1.0 3.0
   37    43    49    51  -0.28300  1.0 1.0
   37    43    49    51   0.26700 -1.0 2.0
   37    43    49    51  -0.63300  1.0 3.0
   37    43   -49    62   0.09850  1.0 1.0
   37    43   -49    62   0.15250 -1.0 2.0
   37    43   -49    62  -0.50650  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    49   7.00000 -1.0 2.0
   43    49    51    52   0.09700  1.0 1.0
   43    49    51    52   0.15600 -1.0 2.0
   43    49    51    52  -0.50800  1.0 3.0
   43    49    51    53  -0.28300  1.0 1.0
   43    49    51    53   0.26700 -1.0 2.0
   43    49    51    53  -0.63300  1.0 3.0
   43    49    62    59  -0.98800  1.0 1.0
   43    49    62    59   0.48800 -1.0 2.0
   43    49    62    59   0.76800  1.0 3.0
   43    49    62    39   0.34400  1.0 1.0
   43    49    62    39   0.09450 -1.0 2.0
   43    49    62    39   0.11100  1.0 3.0
   43    49    62    65   1.05650  1.0 1.0
   43    49    62    65   0.15600 -1.0 2.0
   43    49    62    65   0.53150  1.0 3.0
   44    43    49    50   0.09700  1.0 1.0
   44    43    49    50   0.15600 -1.0 2.0
   44    43    49    50  -0.50800  1.0 3.0
   44    43    49    51   0.09700  1.0 1.0
   44    43    49    51   0.15600 -1.0 2.0
   44    43    49    51  -0.50800  1.0 3.0
   44    43    49    62   0.09700  1.0 1.0
   44    43    49    62   0.15600 -1.0 2.0
   44    43    49    62  -0.50800  1.0 3.0
   49    51    53    54   7.00000 -1.0 2.0
   49    51    53    55   7.00000 -1.0 2.0
   49    62   -39    33   0.56750  1.0 1.0
   49    62   -39    33  -0.07550 -1.0 2.0
   49    62   -39    33   0.20000  1.0 3.0
   49    62    39    40   0.62750  1.0 1.0
   49    62    39    40  -0.30950 -1.0 2.0
   49    62    39    40   0.27300  1.0 3.0
   49    62    39    41   0.15000  1.0 3.0
   49    62    65    66  -0.11600  1.0 1.0
   49    62    65    66  -0.09450 -1.0 2.0
   49    62    65    66   0.21250  1.0 3.0
   50    49    51    52   0.09700  1.0 1.0
   50    49    51    52   0.15600 -1.0 2.0
   50    49    51    52  -0.50800  1.0 3.0
   50    49    51    53   0.39000  1.0 1.0
   50    49    51    53  -0.05800 -1.0 2.0
   50    49    51    53  -0.55150  1.0 3.0
   50    49    62    59  -0.09450  1.0 1.0
   50    49    62    59  -1.12950 -1.0 2.0
   50    49    62    59   0.54000  1.0 3.0
   50    49    62    39   0.62750  1.0 1.0
   50    49    62    39  -0.30950 -1.0 2.0
   50    49    62    39   0.27300  1.0 3.0
   50    49    62    65   3.69350  1.0 1.0
   50    49    62    65  -1.82950 -1.0 2.0
   51    49    62    59  -0.98800  1.0 1.0
   51    49    62    59   0.48800 -1.0 2.0
   51    49    62    59   0.76800  1.0 3.0
   51    49    62    39   0.34400  1.0 1.0
   51    49    62    39   0.09450 -1.0 2.0
   51    49    62    39   0.11100  1.0 3.0
   51    49    62    65   1.05650  1.0 1.0
   51    49    62    65   0.15600 -1.0 2.0
   51    49    62    65   0.53150  1.0 3.0
   51    53    54    57   0.28850  1.0 1.0
   51    53    54    57   2.61350 -1.0 2.0
   51    53    54    57   0.78400  1.0 3.0
   51    53   -54    59  -0.18600  1.0 3.0
   51    53    55    77  -1.65800  1.0 1.0
   51    53    55    77   0.77650 -1.0 2.0
   51    53    55    56   1.00000 -1.0 2.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    54    57    58   7.00000 -1.0 2.0
   53    54    57    61   7.00000 -1.0 2.0
   53    54    59    60   1.00000 -1.0 2.0
   53    54    59    62  -0.33500  1.0 1.0
   53    54    59    62   1.06600 -1.0 2.0
   53    54    59    62  -0.14000  1.0 3.0
   54    53    55    77  -1.65800  1.0 1.0
   54    53    55    77   0.77650 -1.0 2.0
   54    53    55    56   1.00000 -1.0 2.0
   54    57    61    63   0.15800  1.0 1.0
   54    57    61    63   1.85350 -1.0 2.0
   54    57    61    63  -0.48700  1.0 3.0
   54    57   -61    77   0.15800  1.0 1.0
   54    57   -61    77   1.85350 -1.0 2.0
   54    57   -61    77  -0.48700  1.0 3.0
   54    59   -62    49   0.65300  1.0 1.0
   54    59   -62    49  -0.03850 -1.0 2.0
   54    59   -62    49   0.33900  1.0 3.0
   54    59    62    39   0.65300  1.0 1.0
   54    59    62    39  -0.03850 -1.0 2.0
   54    59    62    39   0.33900  1.0 3.0
   54    59    62    65   0.65300  1.0 1.0
   54    59    62    65  -0.03850 -1.0 2.0
   54    59    62    65   0.33900  1.0 3.0
   57    54    59    60   1.00000 -1.0 2.0
   57    54    59    62  -0.33500  1.0 1.0
   57    54    59    62   1.06600 -1.0 2.0
   57    54    59    62  -0.14000  1.0 3.0
   57    61    63    64   3.62500 -1.0 2.0
   57    61    63    67   3.62500 -1.0 2.0
   57    61    77    70   3.62500 -1.0 2.0
   57    61    77    55   3.62500 -1.0 2.0
   58    57    61    63   0.56550  1.0 3.0
   58    57    61    77   0.56550  1.0 3.0
   61    63    67    68   3.62500 -1.0 2.0
   61    63    67    69   3.62500 -1.0 2.0
   61    77   -55    53  -0.11500  1.0 1.0
   61    77   -55    53   1.10450 -1.0 2.0
   61    77   -55    53  -0.48050  1.0 3.0
   61    77    55    56   1.05000 -1.0 2.0
   63    61    77    70   3.62500 -1.0 2.0
   63    61    77    55   3.62500 -1.0 2.0
   63    67   -68    70   3.62500 -1.0 2.0
   63    67    68    71   3.62500 -1.0 2.0
   63    67    69    73   1.63200 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    69   3.62500 -1.0 2.0
   67    68    70    77   3.62500 -1.0 2.0
   67    68    70    78   3.62500 -1.0 2.0
   67    68    71    72   1.05000 -1.0 2.0
   67    68    71    82   0.98750 -1.0 2.0
   67    69    73    74   0.08050  1.0 3.0
   67    69    73    75   0.08050  1.0 3.0
   67    69    73    76   0.08050  1.0 3.0
   68    67    69    73   1.63200 -1.0 2.0
   68    70   -77    61   3.62500 -1.0 2.0
   68    70    77    55   3.62500 -1.0 2.0
   68    70    78    79   0.00000  1.0 1.0
   68    70    78    80   0.00000  1.0 1.0
   68    70    78    81   0.00000  1.0 1.0
   68    71    82    83   0.59950  1.0 1.0
   68    71    82    83   3.24850 -1.0 2.0
   70    68    71    72   1.05000 -1.0 2.0
   70    68    71    82   0.98750 -1.0 2.0
   70    77    55    53  -0.11500  1.0 1.0
   70    77    55    53   1.10450 -1.0 2.0
   70    77    55    53  -0.48050  1.0 3.0
   70    77    55    56   1.05000 -1.0 2.0
   77    61    63    64   3.62500 -1.0 2.0
   77    61   -63    67   3.62500 -1.0 2.0
   77    70    78    79   0.00000  1.0 1.0
   77    70    78    80   0.00000  1.0 1.0
   77    70    78    81   0.00000  1.0 1.0
   55    53   -54    57  -0.18600  1.0 3.0
   55    53    54    59   1.08500 -1.0 2.0
   78    70    77    61   3.62500 -1.0 2.0
   78    70    77    55   3.62500 -1.0 2.0
   71    68    70    77   3.62500 -1.0 2.0
   71    68    70    78   3.62500 -1.0 2.0
   71    82    83    84   0.08050  1.0 3.0
   71    82    83    85   0.08050  1.0 3.0
   71    82    83    86   0.08050  1.0 3.0
   72    71    82    83   3.00000 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   59    54    57    58   7.00000 -1.0 2.0
   59    54    57    61   7.00000 -1.0 2.0
   59    62    39    33  -0.95700  1.0 1.0
   59    62    39    33  -0.18200 -1.0 2.0
   59    62    39    33   0.29450  1.0 3.0
   59    62    39    40  -0.09450  1.0 1.0
   59    62    39    40  -1.12950 -1.0 2.0
   59    62    39    40   0.54000  1.0 3.0
   59    62    39    41  -0.11250  1.0 3.0
   59    62    65    66   0.91850  1.0 1.0
   59    62    65    66   0.57950  1.0 3.0
   60    59    62    49   0.30150 -1.0 2.0
   60    59    62    39   0.30150 -1.0 2.0
   60    59    62    65   0.30150 -1.0 2.0
   62    49    51    52   0.09700  1.0 1.0
   62    49    51    52   0.15600 -1.0 2.0
   62    49    51    52  -0.50800  1.0 3.0
   62    49   -51    53   0.09850  1.0 1.0
   62    49   -51    53   0.15250 -1.0 2.0
   62    49   -51    53  -0.50650  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    43   0.09850  1.0 1.0
   39    33   -37    43   0.15250 -1.0 2.0
   39    33   -37    43  -0.50650  1.0 3.0
   39    33    42    45   0.06250  1.0 1.0
   39    33    42    45  -0.01100 -1.0 2.0
   39    33    42    45   0.28050  1.0 3.0
   39    62    65    66  -0.11600  1.0 1.0
   39    62    65    66  -0.09450 -1.0 2.0
   39    62    65    66   0.21250  1.0 3.0
   65    62    39    33   0.86500  1.0 1.0
   65    62    39    33  -0.17500 -1.0 2.0
   65    62    39    33   0.20800  1.0 3.0
   65    62    39    40   3.69350  1.0 1.0
   65    62    39    40  -1.82950 -1.0 2.0
   65    62    39    41   0.23400  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    43   0.39000  1.0 1.0
   42    33    37    43  -0.05800 -1.0 2.0
   42    33    37    43  -0.55150  1.0 3.0
   42    33    39    62   0.62750  1.0 1.0
   42    33    39    62  -0.30950 -1.0 2.0
   42    33    39    62   0.27300  1.0 3.0
   42    33    39    40   1.11900  1.0 1.0
   42    33    39    40  -1.16350 -1.0 2.0
   42    33    39    40  -0.34150  1.0 3.0
   42    33    39    41   0.23400  1.0 3.0
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    43   1.10000 -1.0 2.0
   49    44    43    37   1.10000 -1.0 2.0
   49    52    51    53   1.10000 -1.0 2.0
   54    55    53    51   1.10000 -1.0 2.0
   53    59    54    57   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   63    77    61    57   4.00000 -1.0 2.0
   67    64    63    61   1.10000 -1.0 2.0
   68    69    67    63   4.00000 -1.0 2.0
   70    71    68    67   4.00000 -1.0 2.0
   77    78    70    68   4.00000 -1.0 2.0
   70    55    77    61   4.00000 -1.0 2.0
   53    77    55    56  10.50000 -1.0 2.0
   68    82    71    72  10.50000 -1.0 2.0
   54    62    59    60  10.50000 -1.0 2.0
END
