* LIGAND DATABASE FILE (OPLS2005)
*
001     103   105    196    299     578
    1     0 S   NP   _N1_     1    28.90934    94.37546   -23.56539
    2     1 S   H    _HN1     2     1.02781   105.49947   -81.80692
    3     1 S   H    _H1_     3     1.02964    82.71977    25.24654
    4     1 S   H    _H2_     4     1.02834    27.11932   179.08486
    5     1 S   CT   _CA1     5     1.50125   132.48430   136.30532
    6     5 S   HC   _HA1     6     1.09578   105.23174    78.50519
    7     5 S   CO3  _C1_     7     1.53779   112.39852   -41.68040
    8     7 S   O2Z  _O11     8     1.26355   115.00649   -43.91529
    9     7 S   O2Z  _O12     9     1.26241   114.91673   135.27153
   10     5 S   CT   _CB1    10     1.53089   107.40941  -163.62639
   11    10 S   HC   HB11    11     1.09826   109.27043   -51.20664
   12    10 S   HC   HB12    12     1.09822   110.42684    65.30623
   13    10 S   CT   _CG1    13     1.53019   112.72674  -172.35219
   14    13 S   HC   HG11    14     1.09596   110.41428   -64.19213
   15    13 S   HC   HG12    15     1.09650   110.02356    55.05305
   16    13 S   C    _CD1    16     1.51805   112.27688   175.32664
   17    16 S   O    _OE1    17     1.22727   123.23694    -3.44424
   18    16 S   N    _N2_    18     1.38647   111.69916   176.88668
   19    18 S   H    _HN2    19     1.01591   119.04553     1.16802
   20    18 S   CT1  _CA2    20     1.46082   123.32760   179.75691
   21    20 S   HC   _HA2    21     1.09595   109.31283    -6.97609
   22    20 S   C    _C2_    22     1.53464   108.79530  -122.14475
   23    22 S   O    _O2_    23     1.23038   122.08623  -147.56456
   24    20 S   CT   _CB2    32     1.53357   111.65937   115.41200
   25    24 S   HC   HB21    33     1.09651   109.68485    60.30333
   26    24 S   HC   HB22    34     1.09573   110.94432   177.70322
   27    22 S   N    _N3_    24     1.38461   113.53425    40.03316
   28    27 S   H    _HN3    25     1.01506   118.97384    -0.79598
   29    24 S   S    _SG2    35     1.82896   114.65145   -59.70257
   30    27 S   CT   _CA3    26     1.45449   123.43769   174.71039
   31    30 S   HC   HA31    27     1.09523   109.23711    24.74523
   32    30 S   HC   HA32    28     1.09494   107.13535   141.77762
   33    29 S   CT   _C26    36     1.83531    99.74882   -66.09059
   34    33 S   HC   _H3_    37     1.08999   107.26220   -45.64510
   35    33 S   HC   _H4_    38     1.09367   105.93842    69.96303
   36    30 S   CO3  _C3_    29     1.52933   113.07120   -98.70545
   37    36 S   O2Z  _O31    30     1.26405   115.40103   -44.21222
   38    36 S   O2Z  _O32    31     1.26353   114.98233   136.68372
   39    33 S   CT   _C17    39     1.55716   113.26780  -170.81496
   40    39 S   CT   _C12    40     1.53599   114.58446    58.44298
   41    40 S   HC   _H40    41     1.09289   113.63923   -50.65131
   42    39 S   OH   _O30   102     1.41896   105.04783   -63.74347
   43    42 S   HO   _H69   103     0.97328   107.74358    63.56975
   44    40 S   CT   _C13    42     1.53241   102.28466    69.43323
   45    44 S   HC   _H41    43     1.09642   109.52620   -82.24117
   46    40 S   OS   _O28    58     1.43376   109.95516  -168.32465
   47    44 S   CT   _C14    44     1.54911   104.83501    36.34104
   48    47 S   HC   _H42    45     1.08973   110.93610   117.26275
   49    44 S   OH   _O29   100     1.41640   112.37512   159.25319
   50    49 S   HO   _H68   101     0.97388   107.27056  -176.08378
   51    39 S   CT   _C16    46     1.58847   114.59755   171.12476
   52    47 S   OS   _O34    93     1.44413   109.89577  -124.53504
   53    51 S   CT   _C15    47     1.62978   111.61397   171.28582
   54    51 S   CT   _C21    89     1.53817   111.74723    45.15219
   55    54 S   HC   _H52    90     1.09350   111.64823    67.95241
   56    54 S   HC   _H53    91     1.09430   112.48852   -51.91895
   57    54 S   HC   _H54    92     1.09256   111.70874  -169.96491
   58    52 S   CO4  _C6_    94     1.36321   117.00965   -74.94000
   59    58 S   O    _O25    95     1.22328   126.19026     0.78907
   60    53 S   CT   _C9_    48     1.57068   113.62968   -66.69760
   61    60 S   HC   _H36    49     1.08731   110.80322    55.06639
   62    60 S   HC   _H37    50     1.09495   110.31512   -62.40460
   63    53 S   CT   _C25    79     1.57730   111.87299   172.09490
   64    63 S   HC   _H63    80     1.09160   112.31200   -49.10174
   65    63 S   HC   _H64    81     1.09564   110.85189  -167.08133
   66    58 S   CT   _C19    96     1.49799   109.52182  -179.65113
   67    66 S   HC   _H46    97     1.09295   109.79003   -61.56119
   68    66 S   HC   _H47    98     1.09374   109.36632   179.33324
   69    66 S   HC   _H48    99     1.09292   109.82881    60.30845
   70    60 S   CT   _C11    51     1.54446   115.12164   172.91662
   71    70 S   HC   _H39    52     1.09881   107.91392  -158.61083
   72    63 S   OS   _O35    82     1.43739   111.34963    72.29428
   73    70 S   CM   _C5_    53     1.50882   113.21074   -39.55289
   74    70 S   OS   _O33    63     1.44186   111.32641    82.16571
   75    72 S   CO4  _C7_    83     1.36181   116.03863   178.28445
   76    75 S   O    _O26    84     1.22319   126.27195    -1.02908
   77    73 S   CM   _C4_    54     1.34345   122.33587    10.66736
   78    77 S   HC   _H35    55     1.08808   119.28774  -178.19149
   79    73 S   CT   _C18    59     1.50266   116.26358  -168.22788
   80    79 S   HC   _H43    60     1.09453   110.43831   -62.44032
   81    79 S   HC   _H44    61     1.09512   112.17019   177.54083
   82    79 S   HC   _H45    62     1.09479   110.32736    57.58437
   83    74 S   CO4  _C8_    64     1.36218   117.52289    82.93126
   84    83 S   O    _O27    65     1.22376   126.25020    -1.52995
   85    75 S   CT   _C20    85     1.49833   109.59538   177.45932
   86    85 S   HC   _H49    86     1.09247   109.63179   -75.29484
   87    85 S   HC   _H50    87     1.09363   109.32810   164.79057
   88    85 S   HC   _H51    88     1.09318   110.14977    46.29633
   89    53 S   CT   _C10    56     1.56163   107.71335    53.99667
   90    89 S   HC   _H38    57     1.09637   108.92693    80.46752
   91    83 S   CT   _C24    66     1.50962   109.90838   177.40927
   92    91 S   HC   _H61    67     1.09684   109.99790    11.70190
   93    91 S   HC   _H62    68     1.09645   106.81690   126.69453
   94    91 S   CT   _C27    69     1.53290   111.71185  -111.89783
   95    94 S   HC   _H67    70     1.09747   109.23376   -51.14539
   96    94 S   CT   _C22    71     1.53025   111.53552    68.12618
   97    96 S   HC   _H55    72     1.09533   111.30854    58.28388
   98    96 S   HC   _H56    73     1.09529   110.73504   178.40088
   99    96 S   HC   _H57    74     1.09462   111.16367   -62.25965
  100    94 S   CT   _C23    75     1.52910   110.00612  -169.59334
  101   100 S   HC   _H58    76     1.09541   111.29721   -61.11668
  102   100 S   HC   _H59    77     1.09516   110.79992    59.12808
  103   100 S   HC   _H60    78     1.09517   110.82625   178.63499
  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   7   5   4   3
  13   5   4   2   1   1  20  17   8   7   1  12   7  11  16   6
   3   1  18   8  20   6   2   1   1   5   4  15   7   6  10   4
   3   3   2   1   1  13   5   7  10   8   5   4   7   3   4   2
   1   1   8   4   3   2   1   1   1   1  12   5   4   9   8   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    51    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    47    51    53    46    54    42    43  
   35    39    40    51    42  
   39    40    51    42  
   37    38  
   38  
    0  
   40    41    44    45    47    48    51    53    60    89    46    63    54    55    56    57    52    49    42    43  
   41    44    45    47    48    51    53    77    89    90    46    54    52    49    50    42    43  
   44    45    47    51    89    46    49    42  
   43    44    46    47    51    53    54  
   51  
   45    47    48    51    53    89    46    54    52    58    49    50  
   47    48    51    46    52    49    50  
   63    49    47    51    53    60    73    77    78    89    90  
   48    51    53    60    89    63    54    55    56    57    52    58    59    66    49    50  
   51    53    54    52    58    49  
   50    51    52  
    0  
   53    60    61    62    70    77    89    90    63    64    65    72    54    55    56    57    52    58  
   58    59    66    67    68    69    53    54  
   60    61    62    70    71    73    77    78    89    90    74    63    64    65    72    75    54    55    56    57  
   55    56    57    60    63    89  
   56    57  
   57  
    0  
   59    66    67    68    69  
   66    67    68    69  
   61    62    70    71    73    77    89    90    79    74    83    63    64    65    72  
   62    70    71    73    89    74    63  
   70    71    73    89    74    63  
   64    65    72    75    76    85    70    77    89    90  
   65    72    75    89  
   72    75    89  
   67    68    69  
   68    69  
   69  
    0  
   71    73    77    78    89    79    80    81    82    74    83    84    91  
   73    77    79    74    83  
   75    76    85    86    87    88    89  
   77    78    89    90    79    80    81    82    74    83  
   83    84    91    92    93    94    77    79  
   76    85    86    87    88  
   85    86    87    88  
   78    89    90    79    80    81    82  
   89    90    79  
   80    81    82    89  
   81    82  
   82  
    0  
   84    91    92    93    94    95    96   100  
   91    92    93    94  
   86    87    88  
   87    88  
   88  
    0  
   90  
    0  
   92    93    94    95    96    97    98    99   100   101   102   103  
   93    94    95    96   100  
   94    95    96   100  
   95    96    97    98    99   100   101   102   103  
   96    97    98    99   100   101   102   103  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100  
  101   102   103  
  102   103  
  103  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  103   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    51   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    52   320.000  1.410
   51    53   268.000  1.529
   51    54   268.000  1.529
   53    60   268.000  1.529
   53    89   268.000  1.529
   53    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   268.000  1.529
   70    71   340.000  1.090
   70    73   317.000  1.510
   70    74   320.000  1.410
   73    77   549.000  1.340
   73    79   317.000  1.510
   77    78   340.000  1.080
   77    89   317.000  1.510
   89    90   340.000  1.090
   89    46   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   74    83   214.000  1.327
   83    84   570.000  1.229
   83    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   268.000  1.529
   94   100   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   320.000  1.410
   72    75   214.000  1.327
   75    76   570.000  1.229
   75    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   52    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   49    50   553.000  0.945
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    51    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    46    50.00000  109.50000
   39    51    47    58.35000  112.70000
   39    51    53    58.35000  112.70000
   39    51    54    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    89    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    51    58.35000  112.70000
   44    47    52    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    51    53    58.35000  112.70000
   47    51    54    58.35000  112.70000
   47    52    58    83.00000  116.90000
   51    39    40    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    53    60    58.35000  112.70000
   51    53    89    58.35000  112.70000
   51    53    63    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    70    58.35000  112.70000
   53    89    77    70.00000  112.02700
   53    89    90    37.50000  110.70000
   53    89    46    50.00000  109.50000
   53    63    64    37.50000  110.70000
   53    63    65    37.50000  110.70000
   53    63    72    50.00000  109.50000
   60    70    71    37.50000  110.70000
   60    70    73    70.00000  112.02700
   60    70    74    50.00000  109.50000
   62    60    61    33.00000  107.80000
   70    60    61    37.50000  110.70000
   70    60    62    37.50000  110.70000
   70    73    77    70.00000  124.00000
   70    73    79    65.00000  117.92700
   70    74    83    83.00000  116.90000
   73    70    71    35.00000  109.50000
   73    77    78    35.00000  120.00000
   73    77    89    70.00000  124.00000
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    35.00000  109.50000
   77    89    90    35.00000  109.50000
   77    89    46    85.00000  110.90400
   89    53    60    58.35000  112.70000
   89    77    78    35.00000  117.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    89    90    35.00000  109.50000
   79    73    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    73    85.00000  110.90400
   74    83    84    83.00000  123.40000
   74    83    91    81.00000  111.40000
   83    91    92    35.00000  109.50000
   83    91    93    35.00000  109.50000
   83    91    94    63.00000  111.10000
   91    83    84    80.00000  120.40000
   91    94    95    37.50000  110.70000
   91    94    96    58.35000  112.70000
   91    94   100    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    96    97    37.50000  110.70000
   94    96    98    37.50000  110.70000
   94    96    99    37.50000  110.70000
   94   100   101    37.50000  110.70000
   94   100   102    37.50000  110.70000
   94   100   103    37.50000  110.70000
   96    94    95    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    94    95    37.50000  110.70000
  100    94    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   63    53    60    58.35000  112.70000
   63    53    89    58.35000  112.70000
   63    72    75    83.00000  116.90000
   65    63    64    33.00000  107.80000
   72    63    64    35.00000  109.50000
   72    63    65    35.00000  109.50000
   72    75    76    83.00000  123.40000
   72    75    85    81.00000  111.40000
   75    85    86    35.00000  109.50000
   75    85    87    35.00000  109.50000
   75    85    88    35.00000  109.50000
   85    75    76    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   54    51    53    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    51    50.00000  109.50000
   52    58    59    83.00000  123.40000
   52    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   42    39    40    50.00000  109.50000
   42    39    51    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
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   42    39    51    53  -0.17500 -1.0 2.0
   42    39    51    53   0.20800  1.0 3.0
   42    39    51    54   0.86500  1.0 1.0
   42    39    51    54  -0.17500 -1.0 2.0
   42    39    51    54   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   70    79    73    77   1.10000 -1.0 2.0
   89    78    77    73   1.10000 -1.0 2.0
   74    91    83    84  10.50000 -1.0 2.0
   72    85    75    76  10.50000 -1.0 2.0
   52    66    58    59  10.50000 -1.0 2.0
END
