* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    201    333     608
    1     0 S   NP   _N1_     1    29.28926    91.94876   -17.90636
    2     1 S   H    _HN1     2     1.02778    75.73723   -72.17573
    3     1 S   H    _H1_     3     1.02938   113.40271    31.89700
    4     1 S   H    _H2_     4     1.02832    32.57447   116.99489
    5     1 S   CT   _CA1     5     1.50153   129.70832  -179.43594
    6     5 S   HC   _HA1     6     1.09585   105.13277    27.90668
    7     5 S   CO3  _C1_     7     1.53816   112.47969   -92.00357
    8     7 S   O2Z  _O11     8     1.26343   115.06969   -41.84342
    9     7 S   O2Z  _O12     9     1.26244   114.90662   137.19970
   10     5 S   CT   _CB1    10     1.53092   107.40574   145.58458
   11    10 S   HC   HB11    11     1.09808   109.20936   -51.23459
   12    10 S   HC   HB12    12     1.09764   110.51847    65.32239
   13    10 S   CT   _CG1    13     1.52952   112.74674  -172.53668
   14    13 S   HC   HG11    14     1.09606   110.12846   -64.25875
   15    13 S   HC   HG12    15     1.09632   110.22242    54.90802
   16    13 S   C    _CD1    16     1.51842   112.29061   175.01493
   17    16 S   O    _OE1    17     1.22724   123.22489   -12.40054
   18    16 S   N    _N2_    18     1.38532   111.60640   168.43113
   19    18 S   H    _HN2    19     1.01604   118.82708    -0.01978
   20    18 S   CT1  _CA2    20     1.46354   123.73797  -177.09162
   21    20 S   HC   _HA2    21     1.09735   109.37721   -20.17706
   22    20 S   C    _C2_    22     1.53419   108.08529  -135.94003
   23    22 S   O    _O2_    23     1.23004   122.35911  -145.45222
   24    20 S   CT   _CB2    32     1.53797   110.89539   102.26838
   25    24 S   HC   HB21    33     1.09237   107.97569    49.79525
   26    24 S   HC   HB22    34     1.09411   110.53981   169.06906
   27    22 S   N    _N3_    24     1.38544   113.25678    41.98133
   28    27 S   H    _HN3    25     1.01539   118.89454    -0.64740
   29    24 S   S    _SG2    35     1.82605   110.78724   -71.52859
   30    27 S   CT   _CA3    26     1.45438   123.40231   175.15483
   31    30 S   HC   HA31    27     1.09527   109.17419    25.56115
   32    30 S   HC   HA32    28     1.09494   107.13805   142.54492
   33    29 S   CT   _C10    36     1.94150   105.70609   167.15259
   34    30 S   CO3  _C3_    29     1.52923   113.15803   -97.87874
   35    34 S   O2Z  _O31    30     1.26401   115.42616   -44.46525
   36    34 S   O2Z  _O32    31     1.26360   114.97377   136.48945
   37    33 S   CT   _C11    37     1.56394   111.01058    -7.38368
   38    37 S   HC   _H4_    38     1.09443   110.07412    44.45675
   39    33 S   CT   _C9_    61     1.66240   103.04796  -132.04463
   40    37 S   CO4  _C12    39     1.51934   117.50294   161.24557
   41    40 S   O    _O33    40     1.22854   122.57151   147.56528
   42    39 S   CO4  _C18    62     1.58934   113.68713    48.74867
   43    42 S   O    _O37    63     1.23226   123.58857    22.38835
   44    39 S   CT   _C29    93     1.54826   111.76178   165.12877
   45    44 S   HC   _H32    94     1.08957   113.16327    86.86468
   46    44 S   HC   _H33    95     1.08872   112.90816   -36.05632
   47    44 S   HC   _H34    96     1.09237   112.72363  -151.96889
   48    37 S   OH   _O36   101     1.41877   113.17417   -75.06248
   49    48 S   HO   _H18   102     0.97314   108.08891   173.31273
   50    40 S   OS   _O34    41     1.34702   115.75956   -40.35931
   51    42 S   CT   _C19    64     1.52931   118.80861  -162.38113
   52    51 S   HC   _H19    65     1.09640   107.74924   167.86799
   53    51 S   HC   _H20    66     1.09161   109.82330   -75.86237
   54    50 S   CT   _C13    42     1.43990   119.56695    42.66586
   55    54 S   HC   _H5_    43     1.08942   105.13267    66.91752
   56    51 S   CT   _C20    67     1.50900   108.82617    49.42212
   57    56 S   HC   _H6_    68     1.10410   104.30819    53.85283
   58    54 S   C5BC _C14    44     1.51015   108.27438   178.04425
   59    33 S   CT   _C5_    52     1.62081   107.10584   108.02582
   60    87 S   CT   _C21    69     1.57711   115.77964  -162.69483
   61    58 S   C5BC _C15    45     1.42649   127.97849    38.05865
   62    61 S   HA   _H15    46     1.08097   127.35836     1.51129
   63    59 S   CT   _C6_    53     1.54790   111.20979    67.24296
   64    63 S   HC   _H11    54     1.09792   110.11595   -68.84309
   65    63 S   HC   _H12    55     1.09622   110.88167   176.46820
   66    60 S   CT   _C22    70     1.56059   116.16631    60.95018
   67    66 S   HC   _H7_    71     1.09776   109.46037    37.56191
   68    60 S   CT   _C28    88     1.55379   115.95513   -68.38573
   69    68 S   HC   _H29    89     1.08805   113.11258   -74.92581
   70    68 S   HC   _H30    90     1.09367   111.45417   166.31523
   71    59 S   CT   _C4_    97     1.56394   112.10673   -51.65704
   72    71 S   HC   _H8_    98     1.09375   112.45607   -61.51135
   73    71 S   HC   _H9_    99     1.09518   111.27624   178.19095
   74    71 S   HC   _H10   100     1.09319   112.87569    60.87782
   75    61 S   C5A  _C16    47     1.37430   106.71934  -178.58321
   76    75 S   HA   _H16    48     1.08025   133.82959  -179.68348
   77    63 S   CT   _C7_    56     1.52333   113.96645    53.43423
   78    77 S   HC   _H13    57     1.09074   110.47748    63.89550
   79    77 S   HC   _H14    58     1.09221   106.20683   179.32305
   80    66 S   OS   _O38    72     1.46145   103.99233   151.60317
   81    66 S   CT   _C26    82     1.52912   118.67618   -90.39281
   82    81 S   HC   _H27    83     1.09249   111.24734    44.10885
   83    81 S   HC   _H28    84     1.09742   110.11687   -75.09724
   84    68 S   OH   _O41    91     1.41997   112.19510    47.39739
   85    84 S   HO   _H31    92     0.97236   107.21326   176.04294
   86    75 S   OA   _O35    49     1.35625   110.46175     0.79303
   87    77 S   CT   _C8_    59     1.52896   110.75510   -61.18125
   88    87 S   HC   _H3_    60     1.09931   102.62974   -51.87720
   89    56 S   CT   _C23    73     1.52879   121.07303   171.11484
   90    81 S   CO3  _C27    85     1.53533   115.63492   164.85964
   91    90 S   O2Z  _O40    86     1.26081   117.04845    -6.03501
   92    90 S   O2Z  _O39    87     1.26608   113.87557   174.42522
   93    58 S   C5A  _C17    50     1.38273   127.10412  -138.72225
   94    93 S   HA   _H17    51     1.08078   133.43587    -1.49056
   95    89 S   CT   _C24    74     1.53399   111.58647   -90.55799
   96    95 S   HC   _H21    75     1.09618   110.80190  -174.76894
   97    95 S   HC   _H22    76     1.09292   111.43702    64.33964
   98    95 S   HC   _H23    77     1.09611   111.30757   -57.09694
   99    89 S   CT   _C25    78     1.52861   115.54377    33.88119
  100    99 S   HC   _H24    79     1.09629   110.51506   172.38055
  101    99 S   HC   _H25    80     1.09140   112.74900    54.07690
  102    99 S   HC   _H26    81     1.09512   111.44371   -67.27323
  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  13   5   4   3
  30   2   1   1  14   7  24   8   3  16   6   9   3   2   1   3
   1   8  12   5   4  17   6  22   8  10  13  21   6   4  11   6
   5  18   8  10   4   3   4   2   1   1   4   2   4   3   2  14
   7   4   3   2   1   2   2   1   8   2   1   1   1   1   7   3
   2   1   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    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    54    59    63    87    39    42    44    71    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    50    54    55    58    59    63    64    65    77    87    88    39    42    43    51    60    44    45    46    47    71    72    73    74    48    49  
   35    36  
   36  
    0  
   38    40    41    50    54    59    63    87    39    42    44    71    48    49  
   40    41    50    59    39    48    49  
   42    43    51    52    53    56    60    66    68    44    45    46    47    71    48    40    54    59    63    77    78    79    87    88  
   41    50    54    55    58    59    48    49  
   50    54    48  
   43    51    52    53    56    57    60    89    44    45    46    47    59    77    87    88  
   51    52    53    56    44    87  
   45    46    47    51    59    60    77    87    88  
   46    47    87  
   47    87  
   87  
   49    50    59  
    0  
   54    55    58    61    93    59    63    71  
   52    53    56    57    60    66    80    89    95    99    68    87  
   53    56    57    60    89  
   56    57    60    89  
   55    58    61    62    75    86    93    94    59    63    64    65    77    71    72    73    74  
   58    61    93    59    63    71  
   57    60    66    67    80    89    95    96    97    98    99   100   101   102    81    68    69    70    84    77    87    88  
   60    66    80    89    95    99    68    87  
   61    62    75    76    86    93    94    59    63    71  
   63    64    65    77    78    79    87    71    72    73    74    61    93  
   66    67    80    89    95    99    81    82    83    90    68    69    70    84    85    63    77    78    79    87    88  
   62    75    76    86    93    94  
   75    76    86    93  
   64    65    77    78    79    87    88    71    72    73    74  
   65    77    78    79    87    71  
   77    78    79    87    71  
   67    80    89    95    99    81    82    83    90    91    92    68    69    70    84    77    87    88  
   80    89    81    82    83    90    68    87  
   69    70    84    85    77    80    81    87    88    89  
   70    84    85    87  
   84    85    87  
   72    73    74    77  
   73    74  
   74  
    0  
   76    86    93    94  
   86    93  
   78    79    87    88  
   79    87    88  
   87    88  
   89    95    96    97    98    99   100   101   102    81    82    83    90    87  
   82    83    90    91    92    87    89  
   83    90    91    92  
   90    91    92  
   85    87  
    0  
   93    94  
   88    89  
    0  
   95    96    97    98    99   100   101   102  
   91    92  
   92  
    0  
   94  
    0  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99  
  100   101   102  
  101   102  
  102  
    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   0.167500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   93   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   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    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   268.000  1.529
   33    59   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    48   320.000  1.410
   40    41   570.000  1.229
   40    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    58   285.000  1.502
   54    59   268.000  1.529
   58    61   469.000  1.424
   58    93   546.000  1.367
   61    62   367.000  1.080
   61    75   546.000  1.367
   75    76   367.000  1.080
   75    86   340.000  1.360
   86    93   340.000  1.360
   93    94   367.000  1.080
   59    63   268.000  1.529
   59    71   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    87   268.000  1.529
   87    88   340.000  1.090
   87    39   268.000  1.529
   87    60   268.000  1.529
   39    42   317.000  1.522
   39    44   268.000  1.529
   42    43   570.000  1.229
   42    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    89   268.000  1.529
   60    66   268.000  1.529
   60    68   268.000  1.529
   66    67   340.000  1.090
   66    80   320.000  1.410
   66    81   268.000  1.529
   80    89   320.000  1.410
   89    95   268.000  1.529
   89    99   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    90   317.000  1.522
   90    91   656.000  1.250
   90    92   656.000  1.250
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    84   320.000  1.410
   84    85   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   48    49   553.000  0.945
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  111.63000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    48    50.00000  109.50000
   33    59    54    58.35000  112.70000
   33    59    63    58.35000  112.70000
   33    59    71    58.35000  112.70000
   33    39    87    58.35000  112.70000
   33    39    42    63.00000  111.10000
   33    39    44    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    50    81.00000  111.40000
   37    48    49    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    50    54    83.00000  116.90000
   50    40    41    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    58    85.00000  111.85700
   50    54    59    50.00000  109.50000
   54    58    61    60.00000  130.00000
   54    58    93    60.00000  130.00000
   54    59    63    58.35000  112.70000
   54    59    71    58.35000  112.70000
   58    54    55    35.00000  109.50000
   58    61    62    35.00000  127.50000
   58    61    75    70.00000  107.30000
   58    93    86    70.00000  110.60000
   58    93    94    35.00000  132.10000
   61    75    76    35.00000  132.10000
   61    75    86    70.00000  110.60000
   75    61    62    35.00000  125.70000
   75    86    93    70.00000  106.50000
   86    75    76    35.00000  113.40000
   86    93    94    35.00000  113.40000
   93    58    61    70.00000  107.30000
   59    33    37    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    54    58    70.00000  112.17500
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    77    58.35000  112.70000
   59    71    72    37.50000  110.70000
   59    71    73    37.50000  110.70000
   59    71    74    37.50000  110.70000
   63    77    78    37.50000  110.70000
   63    77    79    37.50000  110.70000
   63    77    87    58.35000  112.70000
   65    63    64    33.00000  107.80000
   77    63    64    37.50000  110.70000
   77    63    65    37.50000  110.70000
   77    87    88    37.50000  110.70000
   77    87    39    58.35000  112.70000
   77    87    60    58.35000  112.70000
   79    77    78    33.00000  107.80000
   87    77    78    37.50000  110.70000
   87    77    79    37.50000  110.70000
   87    39    42    63.00000  111.10000
   87    39    44    58.35000  112.70000
   87    60    56    58.35000  112.70000
   87    60    66    58.35000  112.70000
   87    60    68    58.35000  112.70000
   39    33    37    58.35000  112.70000
   39    33    59    58.35000  112.70000
   39    87    88    37.50000  110.70000
   39    42    43    80.00000  120.40000
   39    42    51    70.00000  116.00000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   42    51    52    35.00000  109.50000
   42    51    53    35.00000  109.50000
   42    51    56    63.00000  111.10000
   51    42    43    80.00000  120.40000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    89    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    66    58.35000  112.70000
   56    60    68    58.35000  112.70000
   56    89    80    50.00000  109.50000
   56    89    95    58.35000  112.70000
   56    89    99    58.35000  112.70000
   60    87    88    37.50000  110.70000
   60    87    39    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    80    50.00000  109.50000
   60    66    81    58.35000  112.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    84    50.00000  109.50000
   66    80    89    60.00000  109.50000
   66    81    82    37.50000  110.70000
   66    81    83    37.50000  110.70000
   66    81    90    70.00000  109.69300
   80    66    67    35.00000  109.50000
   80    89    95    50.00000  109.50000
   80    89    99    50.00000  109.50000
   89    56    57    37.50000  110.70000
   89    56    60    58.35000  112.70000
   89    95    96    37.50000  110.70000
   89    95    97    37.50000  110.70000
   89    95    98    37.50000  110.70000
   89    99   100    37.50000  110.70000
   89    99   101    37.50000  110.70000
   89    99   102    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    89    95    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   81    66    67    37.50000  110.70000
   81    66    80    50.00000  109.50000
   81    90    91    70.00000  117.00000
   81    90    92    70.00000  117.00000
   83    81    82    33.00000  107.80000
   90    81    82    35.00000  109.50000
   90    81    83    35.00000  109.50000
   92    90    91    80.00000  126.00000
   68    60    66    58.35000  112.70000
   68    84    85    55.00000  108.50000
   70    68    69    33.00000  107.80000
   84    68    69    35.00000  109.50000
   84    68    70    35.00000  109.50000
   44    39    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   71    59    63    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   48    37    38    35.00000  109.50000
   48    37    40    90.00000  109.61100
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
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   66    60    68    84   0.20800  1.0 3.0
   66    80   -89    56   0.06250  1.0 1.0
   66    80   -89    56  -0.01100 -1.0 2.0
   66    80   -89    56   0.28050  1.0 3.0
   66    80    89    95   0.06250  1.0 1.0
   66    80    89    95  -0.01100 -1.0 2.0
   66    80    89    95   0.28050  1.0 3.0
   66    80    89    99   0.06250  1.0 1.0
   66    80    89    99  -0.01100 -1.0 2.0
   66    80    89    99   0.28050  1.0 3.0
   66    81    90    91   0.41150 -1.0 2.0
   66    81    90    92   0.41150 -1.0 2.0
   67    66    80    89   0.37050  1.0 3.0
   67    66    81    82   0.15000  1.0 3.0
   67    66    81    83   0.15000  1.0 3.0
   67    66    81    90  -0.11250  1.0 3.0
   80    66    81    82   0.23400  1.0 3.0
   80    66    81    83   0.23400  1.0 3.0
   80    66    81    90  -3.35100  1.0 1.0
   80    66    81    90  -0.37050 -1.0 2.0
   80    66    81    90   0.22400  1.0 3.0
   80    89    95    96   0.23400  1.0 3.0
   80    89    95    97   0.23400  1.0 3.0
   80    89    95    98   0.23400  1.0 3.0
   80    89    99   100   0.23400  1.0 3.0
   80    89    99   101   0.23400  1.0 3.0
   80    89    99   102   0.23400  1.0 3.0
   89    56    60    87   0.56750  1.0 1.0
   89    56    60    87  -0.07550 -1.0 2.0
   89    56    60    87   0.20000  1.0 3.0
   89    56   -60    66   0.56750  1.0 1.0
   89    56   -60    66  -0.07550 -1.0 2.0
   89    56   -60    66   0.20000  1.0 3.0
   89    56    60    68   0.56750  1.0 1.0
   89    56    60    68  -0.07550 -1.0 2.0
   89    56    60    68   0.20000  1.0 3.0
   95    89    99   100   0.15000  1.0 3.0
   95    89    99   101   0.15000  1.0 3.0
   95    89    99   102   0.15000  1.0 3.0
   99    89    95    96   0.15000  1.0 3.0
   99    89    95    97   0.15000  1.0 3.0
   99    89    95    98   0.15000  1.0 3.0
   81    66    80    89   0.06250  1.0 1.0
   81    66    80    89  -0.01100 -1.0 2.0
   81    66    80    89   0.28050  1.0 3.0
   82    81    90    91   0.00000  1.0 1.0
   82    81    90    92   0.00000  1.0 1.0
   83    81    90    91   0.00000  1.0 1.0
   83    81    90    92   0.00000  1.0 1.0
   68    60    66    67   0.15000  1.0 3.0
   68    60    66    80   0.62750  1.0 1.0
   68    60    66    80  -0.30950 -1.0 2.0
   68    60    66    80   0.27300  1.0 3.0
   68    60    66    81   0.56750  1.0 1.0
   68    60    66    81  -0.07550 -1.0 2.0
   68    60    66    81   0.20000  1.0 3.0
   69    68    84    85   0.19450  1.0 3.0
   70    68    84    85   0.19450  1.0 3.0
   44    39    42    43   0.30150 -1.0 2.0
   44    39    42    51   0.60050  1.0 1.0
   44    39    42    51   0.05600 -1.0 2.0
   44    39    42    51   0.26150  1.0 3.0
   71    59    63    64   0.15000  1.0 3.0
   71    59    63    65   0.15000  1.0 3.0
   71    59    63    77   0.56750  1.0 1.0
   71    59    63    77  -0.07550 -1.0 2.0
   71    59    63    77   0.20000  1.0 3.0
   48    37    40    41   0.30150 -1.0 2.0
   48    37    40    50   0.30750  1.0 1.0
   48    37    40    50   1.13850 -1.0 2.0
   48    37    40    50   0.38850  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
   37    50    40    41  10.50000 -1.0 2.0
   61    93    58    54   4.00000 -1.0 2.0
   75    62    61    58   1.10000 -1.0 2.0
   86    76    75    61   1.10000 -1.0 2.0
   86    94    93    58   1.10000 -1.0 2.0
   39    51    42    43  10.50000 -1.0 2.0
   91    81    90    92  10.50000 -1.0 2.0
END
