* LIGAND DATABASE FILE (OPLS2005)
*
001      88    93    162    264     474
    1     0 S   NP   _N1_     1    30.79478    86.66441   -22.72907
    2     1 S   H    _HN1     2     1.02956   132.67193    25.19280
    3     1 S   H    _H1_     3     1.02831    25.79776    16.90644
    4     1 S   H    _H2_     4     1.02788    97.72910   -98.61299
    5     1 S   CT   _CA1     5     1.50073    94.33308   148.26718
    6     5 S   HC   _HA1     6     1.09587   105.21050    38.60060
    7     5 S   CO3  _C1_     7     1.53603   112.58382   -81.48275
    8     7 S   O2Z  _O11     8     1.26304   115.16132   -43.18558
    9     7 S   O2Z  _O12     9     1.26222   114.87737   136.11892
   10     5 S   CT   _CB1    10     1.53039   107.44837   156.35037
   11    10 S   HC   HB11    11     1.09815   108.98991   -53.07047
   12    10 S   HC   HB12    12     1.09821   110.53238    63.36741
   13    10 S   CT   _CG1    13     1.52988   112.75600  -174.37315
   14    13 S   HC   HG11    14     1.09574   110.28256   -67.66261
   15    13 S   HC   HG12    15     1.09661   110.09220    51.53643
   16    13 S   C    _CD1    16     1.51768   112.34319   171.58854
   17    16 S   O    _OE1    17     1.22730   123.27143    -5.36735
   18    16 S   N    _N2_    18     1.38562   111.63107   175.49794
   19    18 S   H    _HN2    19     1.01628   119.04850    -0.67782
   20    18 S   CT1  _CA2    20     1.46238   123.39715   178.06933
   21    20 S   HC   _HA2    21     1.09735   109.41773    -8.56032
   22    20 S   C    _C2_    22     1.53416   108.31597  -123.99616
   23    22 S   O    _O2_    23     1.23033   122.44310  -147.92441
   24    20 S   CT   _CB2    32     1.53203   111.29542   113.63633
   25    24 S   HC   HB21    33     1.09458   109.55865    54.71403
   26    24 S   HC   HB22    34     1.09505   110.80463   173.22352
   27    22 S   N    _N3_    24     1.38399   113.45789    39.71428
   28    27 S   H    _HN3    25     1.01637   119.46905    -3.95795
   29    24 S   S    _SG2    35     1.82847   111.32889   -67.61884
   30    27 S   CT   _CA3    26     1.45281   123.11658   176.87181
   31    30 S   HC   HA31    27     1.09554   107.58110   -62.08593
   32    30 S   HC   HA32    28     1.09558   107.87450    54.30132
   33    29 S   CT   _C27    36     1.85483    99.97509   155.25712
   34    33 S   HC   _H4_    37     1.10104   104.66802    21.75395
   35    30 S   CO3  _C3_    29     1.52929   114.16063   176.21587
   36    35 S   O2Z  _O31    30     1.26363   116.06771    -1.44510
   37    35 S   O2Z  _O32    31     1.26437   114.40867   178.59055
   38    33 S   CT   _C28    38     1.55442   112.52674   135.63227
   39    38 S   OM   _O44    39     1.32405   112.04384    60.87359
   40    38 S   HC   _H5_    40     1.10200   104.68732   -69.92642
   41    33 S   CO   _C14    49     1.55299   114.12556   -93.65871
   42    38 S   CA   _C9_    41     1.52163   107.47706   178.43677
   43    41 S   CT   _C15    50     1.55885   116.61797   -58.55652
   44    43 S   HC   _H3_    51     1.09494   113.22660    31.05179
   45    42 S   CA   _C8_    42     1.40812   119.26056   158.34430
   46    45 S   HA   _H10    43     1.08937   118.84083     0.52934
   47    43 S   CA   _C16    52     1.48940    99.72413   145.14373
   48    43 S   OH   _O43    75     1.41418   113.64938   -94.90619
   49    48 S   HO   _H18    76     0.97515   106.33315    65.68167
   50    45 S   CA   _C7_    44     1.40015   121.32491  -179.61437
   51    47 S   CA   _C21    53     1.38313   108.71794   -18.15967
   52    50 S   CA   _C12    45     1.39719   119.78625     0.28186
   53    51 S   CA   _C20    54     1.38253   122.02685  -176.64894
   54    41 S   OS   _O37    74     1.47045   106.77094    59.02003
   55    52 S   CA   _C11    46     1.40487   119.26796     0.02798
   56    53 S   CA   _C19    55     1.40640   118.69418    -1.50727
   57    53 S   OH   _O38    72     1.36559   117.25396   178.77507
   58    57 S   HO   _H12    73     0.97365   108.98876   178.99497
   59    52 S   CO4  _C13    79     1.48785   119.10560   179.89347
   60    59 S   O    _O33    80     1.22516   121.43688  -179.92338
   61    42 S   CA   _C10    47     1.40008   121.99871   -20.93132
   62    56 S   CA   _C18    56     1.41233   119.71159     1.39956
   63    55 S   OH   _O35    77     1.37341   122.35111   179.70525
   64    63 S   HO   _H11    78     0.97297   109.36641     0.56924
   65    59 S   OS   _O34    81     1.36659   117.17935     0.04846
   66    61 S   OS   _O36    48     1.36820   124.00480     0.20842
   67    47 S   CA   _C17    57     1.38458   130.87255   165.90215
   68    62 S   CO4  _C25    60     1.48146   119.64300  -179.30818
   69    68 S   O    _O40    61     1.22587   121.87026   176.88128
   70    65 S   CM   _C5_    82     1.41089   122.35772    -0.02798
   71    67 S   OH   _O42    58     1.36585   117.31892    -1.87889
   72    71 S   HO   _H17    59     0.97340   109.13963   178.52993
   73    68 S   CM   _C24    62     1.47216   118.44233    -2.66352
   74    73 S   HC   _H13    63     1.08499   116.75149  -178.51589
   75    50 S   CM   _C6_    83     1.45483   119.91511  -179.77619
   76    75 S   HC   _H9_    84     1.08431   119.31839     0.11869
   77    70 S   CT   _C4_    85     1.49347   114.04480   179.97202
   78    77 S   HC   _H6_    86     1.09464   110.18859   -59.78446
   79    77 S   HC   _H7_    87     1.09487   112.06703  -180.00000
   80    77 S   HC   _H8_    88     1.09464   110.18885    59.79557
   81    73 S   CM   _C23    64     1.33389   122.40770     1.00561
   82    56 S   CO4  _C22    65     1.48365   120.33584  -178.20670
   83    82 S   O    _O39    66     1.22669   120.88215     3.88060
   84    81 S   OS   _O41    67     1.38362   120.45406   178.27751
   85    84 S   CT   _C26    68     1.42666   110.66317   104.29076
   86    85 S   HC   _H14    69     1.09400   107.86878  -178.85346
   87    85 S   HC   _H15    70     1.09472   111.58272    62.64197
   88    85 S   HC   _H16    71     1.09547   110.84729   -60.72828
  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
  15   8   2   1   1  12   5   4  13   9  12   7  10   4  13   5
   1  11  10  11  10   5   8  12   3   1   7   2   3  10   2   1
   7   1   6   7   3   6   1   1   6   3   5   1   3   2   1   1
   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    66    41    43    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    45    61    66    41    43    44    47    51    54    48  
   38    39    40    42    66    41    43    54  
   36    37  
   37  
    0  
   39    40    42    45    46    50    55    61    66    41    43    54  
   40    42    45    61    41  
   42    45    61    41  
   43    44    47    51    53    67    54    48    49    42    55    61    66  
   45    46    50    52    55    61    66    63    75  
   44    47    51    53    62    67    71    54    48    49    61    66  
   47    51    67    54    48    49    66  
   46    50    52    55    61    66    59    70    75    76  
   50    52    61    75  
   51    53    56    62    67    71    72    68    57    54    48    49    66  
   49    51    54    66    67  
    0  
   52    55    61    63    59    60    65    70    75    76    77  
   53    56    62    67    71    82    57    58    54    66  
   55    61    66    63    64    59    60    65    70    75    76  
   56    62    67    68    81    82    83    57    58    54  
   56    57    61    66    67  
   61    66    63    64    59    60    65    75  
   62    67    71    68    69    73    81    82    83    84    57    58  
   58    62    82  
    0  
   60    65    70    75    77    61    63  
   65    70  
   66    63    64  
   67    71    72    68    69    73    74    81    82    83  
   64    66  
    0  
   70    75    76    77    78    79    80  
    0  
   71    72    68    69    73    82  
   69    73    74    81    82    84    71  
   73    74    81  
   75    76    77    78    79    80  
   72  
    0  
   74    81    82    83    84    85  
   81    82    84  
   76    77    78    79    80  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88  
   83    84    85  
   84  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.107500   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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   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    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   268.000  1.529
   33    41   250.000  1.527
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   317.000  1.510
   42    45   469.000  1.400
   42    61   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    52   469.000  1.400
   50    75   320.000  1.460
   52    55   469.000  1.400
   52    59   310.000  1.470
   55    61   469.000  1.400
   55    63   450.000  1.364
   61    66   450.000  1.364
   66    41   320.000  1.380
   41    43   250.000  1.527
   41    54   320.000  1.380
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   320.000  1.410
   47    51   469.000  1.400
   47    67   469.000  1.400
   51    53   469.000  1.400
   51    54   450.000  1.364
   53    56   469.000  1.400
   53    57   450.000  1.364
   56    62   469.000  1.400
   56    82   310.000  1.470
   62    67   469.000  1.400
   62    68   310.000  1.470
   67    71   450.000  1.364
   71    72   553.000  0.945
   68    69   570.000  1.229
   68    73   320.000  1.462
   73    74   340.000  1.080
   73    81   549.000  1.340
   81    82   320.000  1.462
   81    84   440.000  1.360
   82    83   570.000  1.229
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   57    58   553.000  0.945
   48    49   553.000  0.945
   63    64   553.000  0.945
   59    60   570.000  1.229
   59    65   214.000  1.327
   65    70   440.000  1.360
   70    75   549.000  1.340
   70    77   317.000  1.510
   75    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    41    66    90.00000  108.56700
   33    41    43    65.00000  112.71400
   33    41    54    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    42    45    70.00000  120.00000
   38    42    61    70.00000  120.00000
   40    38    39    45.00000  125.66300
   42    38    39    85.00000  111.85700
   42    38    40    35.00000  109.50000
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    61    55    63.00000  120.00000
   42    61    66    70.00000  120.00000
   45    50    52    63.00000  120.00000
   45    50    75    60.00000  120.93500
   50    45    46    35.00000  120.00000
   50    52    55    63.00000  120.00000
   50    52    59    60.00000  119.52600
   50    75    70    60.00000  123.20500
   50    75    76    40.00000  117.26300
   52    55    61    63.00000  120.00000
   52    55    63    70.00000  120.00000
   52    59    60    75.00000  123.78400
   52    59    65    81.00000  111.40000
   55    61    66    70.00000  120.00000
   55    63    64    35.00000  113.00000
   61    42    45    63.00000  120.00000
   61    66    41   100.00000  112.36700
   66    41    43    90.00000  108.56700
   66    41    54    92.60000  111.55000
   41    33    34    45.00000  108.72000
   41    33    38    75.00000  109.43000
   41    43    44    45.00000  108.72000
   41    43    47    70.00000  112.17500
   41    43    48    90.00000  111.58700
   41    54    51   100.00000  112.36700
   43    47    51    70.00000  120.00000
   43    47    67    70.00000  120.00000
   43    48    49    55.00000  108.50000
   47    43    44    35.00000  109.50000
   47    51    53    63.00000  120.00000
   47    51    54    70.00000  120.00000
   47    67    62    63.00000  120.00000
   47    67    71    70.00000  120.00000
   51    53    56    63.00000  120.00000
   51    53    57    70.00000  120.00000
   53    56    62    63.00000  120.00000
   53    56    82    60.00000  119.52600
   53    57    58    35.00000  113.00000
   56    62    67    63.00000  120.00000
   56    62    68    60.00000  119.52600
   56    82    81    65.00000  117.02400
   56    82    83    75.00000  123.78400
   62    67    71    70.00000  120.00000
   62    68    69    75.00000  123.78400
   62    68    73    65.00000  117.02400
   67    47    51    63.00000  120.00000
   67    71    72    35.00000  113.00000
   68    62    67    60.00000  119.52600
   68    73    74    40.00000  117.72500
   68    73    81    65.00000  118.96000
   73    68    69    80.00000  123.72100
   73    81    82    65.00000  118.96000
   73    81    84    80.00000  120.01400
   81    73    74    35.00000  120.00000
   81    82    83    80.00000  123.72100
   81    84    85    90.00000  111.18400
   82    56    62    60.00000  119.52600
   84    81    82    85.00000  116.28000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   57    53    56    70.00000  120.00000
   54    41    43    90.00000  108.56700
   54    51    53    70.00000  120.00000
   48    43    44    35.00000  109.50000
   48    43    47    90.00000  112.51600
   63    55    61    70.00000  120.00000
   59    52    55    60.00000  119.52600
   59    65    70    90.00000  114.22900
   65    59    60    83.00000  123.40000
   65    70    75    80.00000  120.01400
   65    70    77    85.00000  112.85300
   70    75    76    35.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   75    50    52    60.00000  120.93500
   77    70    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  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    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    66   0.56750  1.0 1.0
   29    33    41    66  -0.07550 -1.0 2.0
   29    33    41    66   0.20000  1.0 3.0
   29    33    41    43   0.44750  1.0 1.0
   29    33    41    43  -0.17800 -1.0 2.0
   29    33    41    43   0.20200  1.0 3.0
   29    33    41    54   0.56750  1.0 1.0
   29    33    41    54  -0.07550 -1.0 2.0
   29    33    41    54   0.20000  1.0 3.0
   33    38    42    45   0.04150 -1.0 2.0
   33    38    42    61   0.04150 -1.0 2.0
   33    41    43    44   0.15000  1.0 3.0
   33    41    43    47  -0.03700  1.0 1.0
   33    41    43    47   0.37200 -1.0 2.0
   33    41    43    47  -0.47300  1.0 3.0
   33    41    43    48   0.86500  1.0 1.0
   33    41    43    48  -0.17500 -1.0 2.0
   33    41    43    48   0.20800  1.0 3.0
   33    41    54    51  -0.32850  1.0 1.0
   33    41    54    51  -0.35800 -1.0 2.0
   33    41    54    51   0.33950  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    41    66   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    54   0.23400  1.0 3.0
   38    33    41    66   0.62750  1.0 1.0
   38    33    41    66  -0.30950 -1.0 2.0
   38    33    41    66   0.27300  1.0 3.0
   38    33    41    43   0.56750  1.0 1.0
   38    33    41    43  -0.07550 -1.0 2.0
   38    33    41    43   0.20000  1.0 3.0
   38    33    41    54   0.62750  1.0 1.0
   38    33    41    54  -0.30950 -1.0 2.0
   38    33    41    54   0.27300  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   38    42    61    55   3.62500 -1.0 2.0
   38    42   -61    66   3.62500 -1.0 2.0
   39    38    42    45   0.64500  1.0 1.0
   39    38    42    45   0.14800 -1.0 2.0
   39    38    42    45   0.20650  1.0 3.0
   39    38    42    61   0.64500  1.0 1.0
   39    38    42    61   0.14800 -1.0 2.0
   39    38    42    61   0.20650  1.0 3.0
   40    38    42    45   0.00000  1.0 1.0
   40    38    42    61   0.00000  1.0 1.0
   42    45    50    52   3.62500 -1.0 2.0
   42    45    50    75   3.62500 -1.0 2.0
   42    61    66    41   1.63200 -1.0 2.0
   45    42    61    55   3.62500 -1.0 2.0
   45    42    61    66   3.62500 -1.0 2.0
   45    50   -52    55   3.62500 -1.0 2.0
   45    50    52    59   3.62500 -1.0 2.0
   45    50    75    70   0.15800  1.0 1.0
   45    50    75    70   1.85350 -1.0 2.0
   45    50    75    70  -0.48700  1.0 3.0
   45    50    75    76   0.56550  1.0 3.0
   46    45    50    52   3.62500 -1.0 2.0
   46    45    50    75   3.62500 -1.0 2.0
   50    52    55    61   3.62500 -1.0 2.0
   50    52    55    63   3.62500 -1.0 2.0
   50    52    59    60   1.05000 -1.0 2.0
   50    52    59    65   0.98750 -1.0 2.0
   52    50    75    70   0.15800  1.0 1.0
   52    50    75    70   1.85350 -1.0 2.0
   52    50    75    70  -0.48700  1.0 3.0
   52    50    75    76   0.56550  1.0 3.0
   52    55   -61    42   3.62500 -1.0 2.0
   52    55    61    66   3.62500 -1.0 2.0
   52    55    63    64   0.84100 -1.0 2.0
   52    59   -65    70   2.00000 -1.0 2.0
   55    52    59    60   1.05000 -1.0 2.0
   55    52    59    65   0.98750 -1.0 2.0
   55    61    66    41   1.63200 -1.0 2.0
   61    42    45    46   3.62500 -1.0 2.0
   61    42   -45    50   3.62500 -1.0 2.0
   61    55    63    64   0.84100 -1.0 2.0
   61    66   -41    33  -0.32850  1.0 1.0
   61    66   -41    33  -0.35800 -1.0 2.0
   61    66   -41    33   0.33950  1.0 3.0
   61    66    41    43  -0.32850  1.0 1.0
   61    66    41    43  -0.35800 -1.0 2.0
   61    66    41    43   0.33950  1.0 3.0
   61    66    41    54  -0.25600  1.0 1.0
   61    66    41    54  -0.40050 -1.0 2.0
   61    66    41    54   0.34700  1.0 3.0
   66    41    43    44   0.23400  1.0 3.0
   66    41    43    47  -0.64350  1.0 1.0
   66    41    43    47  -0.04200 -1.0 2.0
   66    41    43    47   0.19800  1.0 3.0
   66    41    43    48   3.69350  1.0 1.0
   66    41    43    48  -1.82950 -1.0 2.0
   66    41    54    51  -0.25600  1.0 1.0
   66    41    54    51  -0.40050 -1.0 2.0
   66    41    54    51   0.34700  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42  -0.03700  1.0 1.0
   41    33   -38    42   0.37200 -1.0 2.0
   41    33   -38    42  -0.47300  1.0 3.0
   41    43   -47    51   0.04150 -1.0 2.0
   41    43    47    67   0.04150 -1.0 2.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   43    41   -54    51  -0.32850  1.0 1.0
   43    41   -54    51  -0.35800 -1.0 2.0
   43    41   -54    51   0.33950  1.0 3.0
   43    47    51    53   3.62500 -1.0 2.0
   43    47   -51    54   3.62500 -1.0 2.0
   43    47    67    62   3.62500 -1.0 2.0
   43    47    67    71   3.62500 -1.0 2.0
   44    43    47    51   0.00000  1.0 1.0
   44    43    47    67   0.00000  1.0 1.0
   44    43    48    49   0.19450  1.0 3.0
   47    43    48    49   0.31900  1.0 1.0
   47    43    48    49  -0.11800 -1.0 2.0
   47    43    48    49   0.38750  1.0 3.0
   47    51    53    56   3.62500 -1.0 2.0
   47    51    53    57   3.62500 -1.0 2.0
   47    51   -54    41   1.63200 -1.0 2.0
   47    67    71    72   0.84100 -1.0 2.0
   51    47    67    62   3.62500 -1.0 2.0
   51    47    67    71   3.62500 -1.0 2.0
   51    53   -56    62   3.62500 -1.0 2.0
   51    53    56    82   3.62500 -1.0 2.0
   51    53    57    58   0.84100 -1.0 2.0
   53    51    54    41   1.63200 -1.0 2.0
   53    56    62    67   3.62500 -1.0 2.0
   53    56    62    68   3.62500 -1.0 2.0
   53    56    82    81  -0.11500  1.0 1.0
   53    56    82    81   1.10450 -1.0 2.0
   53    56    82    81  -0.48050  1.0 3.0
   53    56    82    83   1.05000 -1.0 2.0
   56    53    57    58   0.84100 -1.0 2.0
   56    62   -67    47   3.62500 -1.0 2.0
   56    62    67    71   3.62500 -1.0 2.0
   56    62    68    69   1.05000 -1.0 2.0
   56    62    68    73  -0.11500  1.0 1.0
   56    62    68    73   1.10450 -1.0 2.0
   56    62    68    73  -0.48050  1.0 3.0
   62    56    82    81  -0.11500  1.0 1.0
   62    56    82    81   1.10450 -1.0 2.0
   62    56    82    81  -0.48050  1.0 3.0
   62    56    82    83   1.05000 -1.0 2.0
   62    67    71    72   0.84100 -1.0 2.0
   62    68    73    74   1.64500 -1.0 2.0
   62    68   -73    81  -1.65800  1.0 1.0
   62    68   -73    81   0.77650 -1.0 2.0
   67    47   -51    53   3.62500 -1.0 2.0
   67    47    51    54   3.62500 -1.0 2.0
   67    62    68    69   1.05000 -1.0 2.0
   67    62    68    73  -0.11500  1.0 1.0
   67    62    68    73   1.10450 -1.0 2.0
   67    62    68    73  -0.48050  1.0 3.0
   68    62    67    47   3.62500 -1.0 2.0
   68    62    67    71   3.62500 -1.0 2.0
   68    73    81    82   7.00000 -1.0 2.0
   68    73    81    84   7.00000 -1.0 2.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    81   1.00000 -1.0 2.0
   73    81   -82    56  -1.65800  1.0 1.0
   73    81   -82    56   0.77650 -1.0 2.0
   73    81    82    83   1.00000 -1.0 2.0
   73    81    84    85  -2.26850  1.0 1.0
   73    81    84    85   3.39050 -1.0 2.0
   74    73    81    82   7.00000 -1.0 2.0
   74    73    81    84   7.00000 -1.0 2.0
   81    84    85    86   0.08050  1.0 3.0
   81    84    85    87   0.08050  1.0 3.0
   81    84    85    88   0.08050  1.0 3.0
   82    56    62    67   3.62500 -1.0 2.0
   82    56   -62    68   3.62500 -1.0 2.0
   82    81    84    85   0.15100 -1.0 2.0
   84    81    82    56   1.50000 -1.0 2.0
   84    81    82    83  -0.11900  1.0 1.0
   84    81    82    83   0.76850 -1.0 2.0
   84    81    82    83   0.14100  1.0 3.0
   57    53    56    62   3.62500 -1.0 2.0
   57    53    56    82   3.62500 -1.0 2.0
   54    41    43    44   0.23400  1.0 3.0
   54    41   -43    47  -0.64350  1.0 1.0
   54    41   -43    47  -0.04200 -1.0 2.0
   54    41   -43    47   0.19800  1.0 3.0
   54    41    43    48   3.69350  1.0 1.0
   54    41    43    48  -1.82950 -1.0 2.0
   54    51    53    56   3.62500 -1.0 2.0
   54    51    53    57   3.62500 -1.0 2.0
   48    43    47    51   0.14300 -1.0 2.0
   48    43    47    51   0.00300  1.0 3.0
   48    43    47    67   0.14300 -1.0 2.0
   48    43    47    67   0.00300  1.0 3.0
   63    55    61    42   3.62500 -1.0 2.0
   63    55    61    66   3.62500 -1.0 2.0
   59    52    55    61   3.62500 -1.0 2.0
   59    52    55    63   3.62500 -1.0 2.0
   59    65    70    75  -1.93650  1.0 1.0
   59    65    70    75   2.17750 -1.0 2.0
   59    65    70    75  -0.40250  1.0 3.0
   59    65    70    77   2.00000 -1.0 2.0
   60    59    65    70   3.00000 -1.0 2.0
   65    70   -75    50   7.00000 -1.0 2.0
   65    70    75    76   7.00000 -1.0 2.0
   65    70    77    78   0.00000  1.0 1.0
   65    70    77    79   0.00000  1.0 1.0
   65    70    77    80   0.00000  1.0 1.0
   75    50    52    55   3.62500 -1.0 2.0
   75    50   -52    59   3.62500 -1.0 2.0
   75    70    77    78   0.00000  1.0 1.0
   75    70    77    79   0.00000  1.0 1.0
   75    70    77    80   0.00000  1.0 1.0
   77    70    75    50   7.00000 -1.0 2.0
   77    70    75    76   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   45    61    42    38   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   52    75    50    45   4.00000 -1.0 2.0
   55    59    52    50   4.00000 -1.0 2.0
   61    63    55    52   4.00000 -1.0 2.0
   55    66    61    42   4.00000 -1.0 2.0
   51    67    47    43   4.00000 -1.0 2.0
   53    54    51    47   4.00000 -1.0 2.0
   56    57    53    51   4.00000 -1.0 2.0
   62    82    56    53   4.00000 -1.0 2.0
   67    68    62    56   4.00000 -1.0 2.0
   62    71    67    47   4.00000 -1.0 2.0
   62    73    68    69  10.50000 -1.0 2.0
   68    74    73    81   1.10000 -1.0 2.0
   82    84    81    73   1.10000 -1.0 2.0
   56    81    82    83  10.50000 -1.0 2.0
   52    65    59    60  10.50000 -1.0 2.0
   65    77    70    75   1.10000 -1.0 2.0
   50    76    75    70   1.10000 -1.0 2.0
END
