* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    209    347     634
    1     0 S   NP   _N1_     1    28.40255    94.25762   -26.50297
    2     1 S   H    _HN1     2     1.02959    91.90971    -0.64377
    3     1 S   H    _H1_     3     1.02836    15.13963   179.75691
    4     1 S   H    _H2_     4     1.02778   114.12728  -111.73655
    5     1 S   CT   _CA1     5     1.50128   117.63570   113.62070
    6     5 S   HC   _HA1     6     1.09575   105.22089    73.97512
    7     5 S   CO3  _C1_     7     1.53791   112.36718   -46.22713
    8     7 S   O2Z  _O11     8     1.26366   114.99749   -43.92076
    9     7 S   O2Z  _O12     9     1.26237   114.93318   135.19684
   10     5 S   CT   _CB1    10     1.53099   107.42057  -168.11247
   11    10 S   HC   HB11    11     1.09827   109.34477   -50.50101
   12    10 S   HC   HB12    12     1.09816   110.42059    66.05839
   13    10 S   CT   _CG1    13     1.53014   112.66484  -171.57457
   14    13 S   HC   HG11    14     1.09596   110.48335   -64.13811
   15    13 S   HC   HG12    15     1.09656   109.92788    55.05969
   16    13 S   C    _CD1    16     1.51839   112.32705   175.43404
   17    16 S   O    _OE1    17     1.22746   123.29286    -0.10835
   18    16 S   N    _N2_    18     1.38553   111.68989   179.86583
   19    18 S   H    _HN2    19     1.01557   119.02030     4.66539
   20    18 S   CT1  _CA2    20     1.45880   122.92954   178.00944
   21    20 S   HC   _HA2    21     1.09716   108.99968    23.09036
   22    20 S   C    _C2_    22     1.52878   106.71756   -94.13374
   23    22 S   O    _O2_    23     1.23004   122.91128   -29.96229
   24    20 S   CT   _CB2    32     1.53369   112.20529   146.33211
   25    24 S   HC   HB21    33     1.09418   109.46098    54.66682
   26    24 S   HC   HB22    34     1.09389   109.59278   173.45186
   27    22 S   N    _N3_    24     1.38468   112.70309   152.81191
   28    27 S   H    _HN3    25     1.01666   120.40942    -1.98800
   29    24 S   S    _SG2    35     1.82955   110.55369   -66.04251
   30    27 S   CT   _CA3    26     1.45360   122.36143   178.57262
   31    30 S   HC   HA31    27     1.09575   107.55534   -60.10494
   32    30 S   HC   HA32    28     1.09568   107.83134    56.17751
   33    29 S   CT   _C25    36     1.88430   102.65574  -179.11221
   34    30 S   CO3  _C3_    29     1.52867   114.42287   177.97783
   35    34 S   O2Z  _O31    30     1.26315   116.08774    -5.68493
   36    34 S   O2Z  _O32    31     1.26446   114.39860   174.42381
   37    33 S   CM   _C4_    37     1.51736   107.47452    61.01226
   38    37 S   HC   _H31    38     1.09046   116.06308   -81.67026
   39    33 S   CT   _C17    96     1.54506   107.53830   -59.38796
   40    39 S   HC   _H52    97     1.09673   111.17664    71.21763
   41    39 S   HC   _H53    98     1.09895   109.93919   -46.49583
   42    37 S   CMA  _C5_    39     1.35090   126.55713    99.48334
   43    42 S   OM   _O27    40     1.26200   129.26791   178.61987
   44    42 S   CT   _C7_    41     1.52626   119.57998    -1.50376
   45    44 S   HC   _H32    42     1.09969   109.03600   112.33812
   46    44 S   HC   _H33    43     1.10002   110.59684  -131.12075
   47    44 S   CT   _C8_    44     1.53278   114.91873    -9.62541
   48    47 S   HC   _H34    45     1.09484   109.68829   165.16574
   49    47 S   HC   _H35    46     1.09662   108.65054   -81.37185
   50    33 S   CT   _C19    47     1.56854   107.88182  -179.56795
   51    50 S   HC   _H56    48     1.09999   108.68900    46.96643
   52    50 S   CT   _C21    49     1.56662   112.77473   164.70176
   53    52 S   HC   _H58    50     1.09879   108.50428    64.45012
   54    52 S   CT   _C13    51     1.55204   112.51514  -178.46099
   55    54 S   HC   _H44    52     1.09612   109.60440    51.17362
   56    54 S   HC   _H45    53     1.09540   109.97655   -65.35143
   57    54 S   CT   _C18    54     1.53911   113.85119   174.56440
   58    57 S   HC   _H54    55     1.09790   108.34935    69.59653
   59    57 S   HC   _H55    56     1.09662   109.67625  -174.80793
   60    57 S   CT   _C26    57     1.53304   111.67931   -51.68013
   61    60 S   CT   _C22    58     1.54038   107.99265    56.20121
   62    61 S   HC   _H59    59     1.10314   108.47396    55.36495
   63    60 S   CT   _C27    99     1.55035   109.37791   -69.26588
   64    63 S   HC   _H62   100     1.09453   112.47106  -177.45786
   65    63 S   HC   _H63   101     1.09311   112.77039    61.59030
   66    63 S   HC   _H64   102     1.09632   110.60858   -57.83226
   67    61 S   CT   _C11    60     1.52589   103.42138   167.60716
   68    67 S   HC   _H40    61     1.09477   112.00208  -154.98201
   69    67 S   HC   _H41    62     1.09567   111.54330    84.32070
   70    52 S   CT   _C20    91     1.55241   110.75875   -52.49980
   71    70 S   HC   _H57    92     1.09695   109.21357   -58.73806
   72    67 S   CT   _C16    63     1.53932   104.04114   -34.70191
   73    72 S   HC   _H50    64     1.09581   110.77737   129.92608
   74    72 S   HC   _H51    65     1.09575   110.64617  -111.65782
   75    70 S   CT   _C12    93     1.52753   109.64024    58.95312
   76    75 S   HC   _H42    94     1.09622   110.23574   179.36326
   77    75 S   HC   _H43    95     1.09688   110.65597    61.49634
   78    60 S   CT   _C24    66     1.54419   114.65044   166.02586
   79    78 S   HC   _H61    67     1.09904   109.75559   -39.57315
   80    78 S   OS   _O29    68     1.43180   111.75506    82.12548
   81    80 S   CO4  _C6_    69     1.36543   116.72365  -167.98612
   82    81 S   O    _O28    70     1.22291   125.91482     0.12033
   83    81 S   CT   _C28    71     1.51171   108.78869  -179.62675
   84    83 S   HC   _H65    72     1.09582   108.11244   -57.04209
   85    83 S   HC   _H66    73     1.09523   107.82290    60.81452
   86    83 S   CT   _C29    74     1.52877   111.92849  -177.87072
   87    86 S   HC   _H67    75     1.09774   109.45276   -60.47597
   88    86 S   HC   _H68    76     1.09774   109.35269    55.48159
   89    86 S   CT   _C23    77     1.52918   112.54227   176.69820
   90    89 S   HC   _H60    78     1.09865   109.35968   -58.03151
   91    89 S   CT   _C14    79     1.52722   112.55367  -179.22545
   92    91 S   HC   _H46    80     1.09435   112.42846    74.24640
   93    91 S   HC   _H47    81     1.09700   110.94474   -46.85658
   94    91 S   CT   _C9_    82     1.52261   103.54553  -164.68985
   95    94 S   HC   _H36    83     1.09648   110.04027   -87.82649
   96    94 S   HC   _H37    84     1.09435   111.85153   152.73632
   97    94 S   CT   _C10    85     1.52823   105.70339    30.45368
   98    97 S   HC   _H38    86     1.09513   111.50231   113.32613
   99    97 S   HC   _H39    87     1.09577   110.08082  -127.63356
  100    89 S   CT   _C15    88     1.52822   114.37138    64.68300
  101   100 S   HC   _H48    89     1.09700   110.76801    40.75227
  102   100 S   HC   _H49    90     1.09451   112.39214   -79.78706
  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  12   5   4   3
  20   2   1   1  14   5  13   6   5   8   4   8   5   4   8   4
   3  11   4  16   8  12   6   5  15   5   4  19  19   9   9   3
   2   1  11   6   5   6   3   6   4   3   2   1   1   5   2   6
   8   4   9   5   4  12   5   4  13   8  11   6   5   8   5   4
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    52    75    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    53    54    70    75    76    77    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    52    75    39    40    41  
   42    43    44    50    39  
   40    41    42    47    50    51    52    61    70    71    75    76    77  
   41    50    70    75    76    77  
   50    70    75    76    77  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54    70  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    57    61    70    71    75  
   52    53    54    70  
   53    54    55    56    57    58    59    60    61    62    67    70    71    75    76    77  
   54    55    56    57    61    70    71    75  
   55    56    57    58    59    60    61    78    70    71    75    63  
   56    57    58    59    60    70  
   57    58    59    60    70  
   58    59    60    61    62    67    72    78    79    80    70    63    64    65    66  
   59    60    61    78    63  
   60    61    78    63  
   61    62    67    68    69    72    73    74    78    79    80    81    70    71    75    63    64    65    66  
   62    67    68    69    72    73    74    78    79    80    70    71    75    76    77    63    64    65    66  
   67    68    69    72    78    70    71    75    63  
   64    65    66    67    70    72    78    79    80  
   65    66    78  
   66    78  
   78  
   68    69    72    73    74    78    79    80    70    71    75  
   69    72    73    74    78    70  
   72    73    74    78    70  
   71    75    76    77    72    78  
   75    76    77  
   73    74    78    79    80    81  
   74    78    79    80  
   78    79    80  
   76    77  
   77  
    0  
   79    80    81    82    83  
   80    81  
   81    82    83    84    85    86  
   82    83    84    85    86    87    88    89  
   83    84    85    86  
   84    85    86    87    88    89    90    91   100  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92    93    94    97   100   101   102  
   88    89    90    91   100  
   89    90    91   100  
   90    91    92    93    94    95    96    97    98    99   100   101   102  
   91    92    93    94    97   100   101   102  
   92    93    94    95    96    97    98    99   100   101   102  
   93    94    95    96    97   100  
   94    95    96    97   100  
   95    96    97    98    99   100   101   102  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102  
   99   100   101   102  
  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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    70   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   268.000  1.529
   60    78   268.000  1.529
   60    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   320.000  1.410
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   268.000  1.529
   89   100   268.000  1.529
   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   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
   70    71   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    58.35000  112.70000
   50    52    70    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    58.35000  112.70000
   52    70    61    58.35000  112.70000
   52    70    71    37.50000  110.70000
   52    70    75    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    58.35000  112.70000
   57    60    78    58.35000  112.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    61    62    37.50000  110.70000
   60    61    67    58.35000  112.70000
   60    61    70    58.35000  112.70000
   60    78    72    58.35000  112.70000
   60    78    79    37.50000  110.70000
   60    78    80    50.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    75    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    78    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    50.00000  109.50000
   74    72    73    33.00000  107.80000
   78    60    61    58.35000  112.70000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    80    81    83.00000  116.90000
   80    78    79    35.00000  109.50000
   80    81    82    83.00000  123.40000
   80    81    83    81.00000  111.40000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    63.00000  111.10000
   83    81    82    80.00000  120.40000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    58.35000  112.70000
   86    89   100    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    91    92    37.50000  110.70000
   89    91    93    37.50000  110.70000
   89    91    94    58.35000  112.70000
   89   100    97    58.35000  112.70000
   89   100   101    37.50000  110.70000
   89   100   102    37.50000  110.70000
   91    89    90    37.50000  110.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    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    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    89    90    37.50000  110.70000
  100    89    91    58.35000  112.70000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  102   100   101    33.00000  107.80000
   70    52    53    37.50000  110.70000
   70    52    54    58.35000  112.70000
   70    61    62    37.50000  110.70000
   70    61    67    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    39    58.35000  112.70000
   75    70    71    37.50000  110.70000
   75    39    40    37.50000  110.70000
   75    39    41    37.50000  110.70000
   77    75    76    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   41    39    40    33.00000  107.80000
   63    60    61    58.35000  112.70000
   63    60    78    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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
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  100    89    91    92   0.15000  1.0 3.0
  100    89    91    93   0.15000  1.0 3.0
  100    89   -91    94   0.56750  1.0 1.0
  100    89   -91    94  -0.07550 -1.0 2.0
  100    89   -91    94   0.20000  1.0 3.0
   70    52    54    55   0.15000  1.0 3.0
   70    52    54    56   0.15000  1.0 3.0
   70    52   -54    57   0.56750  1.0 1.0
   70    52   -54    57  -0.07550 -1.0 2.0
   70    52   -54    57   0.20000  1.0 3.0
   70    61    67    68   0.15000  1.0 3.0
   70    61    67    69   0.15000  1.0 3.0
   70    61    67    72   0.56750  1.0 1.0
   70    61    67    72  -0.07550 -1.0 2.0
   70    61    67    72   0.20000  1.0 3.0
   70    75   -39    33   0.56750  1.0 1.0
   70    75   -39    33  -0.07550 -1.0 2.0
   70    75   -39    33   0.20000  1.0 3.0
   70    75    39    40   0.15000  1.0 3.0
   70    75    39    41   0.15000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    39   0.15000  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    41   0.15000  1.0 3.0
   77    75    39    33   0.15000  1.0 3.0
   77    75    39    40   0.15000  1.0 3.0
   77    75    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33   -50    52   0.56750  1.0 1.0
   39    33   -50    52  -0.07550 -1.0 2.0
   39    33   -50    52   0.20000  1.0 3.0
   63    60    61    62   0.15000  1.0 3.0
   63    60    61    67   0.56750  1.0 1.0
   63    60    61    67  -0.07550 -1.0 2.0
   63    60    61    67   0.20000  1.0 3.0
   63    60    61    70   0.56750  1.0 1.0
   63    60    61    70  -0.07550 -1.0 2.0
   63    60    61    70   0.20000  1.0 3.0
   63    60    78    72   0.56750  1.0 1.0
   63    60    78    72  -0.07550 -1.0 2.0
   63    60    78    72   0.20000  1.0 3.0
   63    60    78    79   0.15000  1.0 3.0
   63    60    78    80   0.62750  1.0 1.0
   63    60    78    80  -0.30950 -1.0 2.0
   63    60    78    80   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
END
