* LIGAND DATABASE FILE (OPLS2005)
*
001     102   105    201    315     600
    1     0 S   NP   _N1_     1    28.69587    98.02290   -22.47266
    2     1 S   H    _HN1     2     1.02785    97.72226   -88.55813
    3     1 S   H    _H1_     3     1.02950    64.27980    18.15362
    4     1 S   H    _H2_     4     1.02828    49.85985   164.51441
    5     1 S   CT   _CA1     5     1.50111   149.18623   105.16106
    6     5 S   HC   _HA1     6     1.09573   105.20071   103.92946
    7     5 S   CO3  _C1_     7     1.53791   112.46169   -16.31401
    8     7 S   O2Z  _O11     8     1.26371   115.00650   -42.53474
    9     7 S   O2Z  _O12     9     1.26240   114.94875   136.61204
   10     5 S   CT   _CB1    10     1.53081   107.42242  -138.08089
   11    10 S   HC   HB11    11     1.09832   109.38433   -49.71259
   12    10 S   HC   HB12    12     1.09813   110.44057    66.89862
   13    10 S   CT   _CG1    13     1.52986   112.60151  -170.69395
   14    13 S   HC   HG11    14     1.09584   110.61614   -65.34019
   15    13 S   HC   HG12    15     1.09669   109.80182    53.89065
   16    13 S   C    _CD1    16     1.51798   112.24940   174.35024
   17    16 S   O    _OE1    17     1.22727   123.29796     6.18250
   18    16 S   N    _N2_    18     1.38652   111.64929  -173.91846
   19    18 S   H    _HN2    19     1.01579   118.93040     1.86760
   20    18 S   CT1  _CA2    20     1.46201   123.40707   177.83897
   21    20 S   HC   _HA2    21     1.09736   109.37436     2.42010
   22    20 S   C    _C2_    22     1.53542   108.64132  -113.09173
   23    22 S   O    _O2_    23     1.23061   122.27154  -147.98429
   24    20 S   CT   _CB2    32     1.53348   111.53337   124.44346
   25    24 S   HC   HB21    33     1.09576   110.02733    56.13400
   26    24 S   HC   HB22    34     1.09440   109.96449   175.26153
   27    22 S   N    _N3_    24     1.38326   113.70884    39.46386
   28    27 S   H    _HN3    25     1.01587   119.58350    -3.32154
   29    24 S   S    _SG2    35     1.82729   111.43619   -64.96828
   30    27 S   CT   _CA3    26     1.45287   123.21119   177.11486
   31    30 S   HC   HA31    27     1.09550   107.50829   -64.58810
   32    30 S   HC   HA32    28     1.09557   107.98544    51.84819
   33    29 S   CT   _C17    36     1.85111   100.06493   167.44265
   34    33 S   HC   _H3_    37     1.09848   106.46188   -49.45757
   35    30 S   CO3  _C3_    29     1.52960   114.08443   173.84604
   36    35 S   O2Z  _O31    30     1.26376   116.06721    -0.72145
   37    35 S   O2Z  _O32    31     1.26428   114.41275   179.34151
   38    33 S   CT   _C9_    38     1.54180   110.27762    67.62388
   39    38 S   HC   _H38    39     1.09801   108.62242   -67.84620
   40    38 S   CO4  _C4_    40     1.52978   108.22808   176.28090
   41    40 S   O    _O25    41     1.23269   118.81282   114.53691
   42    38 S   OS   _O33    98     1.41780   111.19966    52.54919
   43    40 S   CT   _C18    42     1.55619   117.79727   -59.09664
   44    42 S   CT   _C26    99     1.42073   113.22126  -157.59203
   45    44 S   HC   _H62   100     1.09322   108.25137  -179.33736
   46    44 S   HC   _H63   101     1.09417   110.52222    61.95614
   47    44 S   HC   _H64   102     1.09205   110.73889   -60.51989
   48    43 S   CT   _C11    43     1.57388   101.02316    62.27314
   49    48 S   HC   _H40    44     1.10264   106.38981    53.60162
   50    43 S   CT   _C23    94     1.53931   109.65239   -58.67106
   51    50 S   HC   _H53    95     1.08657   113.32695  -170.27486
   52    50 S   HC   _H54    96     1.09084   113.56325    70.05427
   53    50 S   HC   _H55    97     1.09481   111.01753   -49.78846
   54    48 S   CT   _C8_    45     1.53651   112.48342   168.34078
   55    54 S   HC   _H36    46     1.09347   110.21785    68.23153
   56    54 S   HC   _H37    47     1.09542   109.63138  -174.90876
   57    33 S   CT   _C13    88     1.56317   111.70480  -165.44781
   58    57 S   HC   _H42    89     1.09559   109.53870   -57.70639
   59    54 S   CT   _C14    48     1.53624   111.74961   -57.47257
   60    59 S   HC   _H43    49     1.09837   107.82380  -179.58269
   61    57 S   CT   _C22    90     1.54275   110.92881    59.56989
   62    61 S   HC   _H50    91     1.09517   111.08961    66.96246
   63    61 S   HC   _H51    92     1.09307   112.61974   -54.20300
   64    61 S   HC   _H52    93     1.09433   111.12357  -172.07313
   65    59 S   CT   _C19    50     1.53890   112.66366    58.66915
   66    65 S   CT   _C10    51     1.56901   107.89167  -172.04678
   67    66 S   HC   _H39    52     1.10091   106.76213   -65.05192
   68    65 S   CT   _C24    84     1.55851   106.02200    72.01041
   69    68 S   HC   _H56    85     1.09112   113.41400   -43.09641
   70    68 S   HC   _H57    86     1.09052   113.83340  -164.77478
   71    68 S   HC   _H58    87     1.09720   110.61448    74.44426
   72    66 S   CT   _C7_    53     1.53389   111.62655    50.49948
   73    72 S   HC   _H34    54     1.09701   108.61803  -162.54149
   74    72 S   HC   _H35    55     1.09465   111.73919    79.41807
   75    66 S   CT   _C20    59     1.56423   112.69765   177.13536
   76    72 S   CO4  _C5_    56     1.50066   116.04554   -42.99552
   77    76 S   O    _O26    57     1.22825   121.47291  -154.08623
   78    75 S   CT   _C16    60     1.54941   111.52262   -51.53322
   79    78 S   HC   _H45    61     1.09886   109.30146   -69.78178
   80    75 S   CT   _C25    78     1.53837   112.32731  -176.38854
   81    80 S   HC   _H59    79     1.09607   111.14598  -167.78586
   82    80 S   HC   _H60    80     1.09425   112.23871    70.98815
   83    80 S   HC   _H61    81     1.09621   110.66179   -50.33732
   84    75 S   OH   _O29    82     1.43522   108.82656    67.59884
   85    84 S   HO   _H68    83     0.97244   108.16131    62.06549
   86    59 S   OS   _O28    58     1.44377   106.12132   -66.63115
   87    78 S   CT   _C15    62     1.55016   113.36514    50.49074
   88    87 S   HC   _H44    63     1.09324   110.15163    67.38098
   89    78 S   OS   _O34    73     1.43934   108.82280   171.20598
   90    43 S   CT   _C12    64     1.59281   111.25312   179.25559
   91    90 S   HC   _H41    65     1.09929   103.21391   -42.39863
   92    87 S   OS   _O30    66     1.44806   106.30938  -174.97453
   93    89 S   CT   _C27    74     1.42157   113.24864   118.67461
   94    93 S   HC   _H65    75     1.09314   108.28032   179.11177
   95    93 S   HC   _H66    76     1.09377   110.72379    60.17366
   96    93 S   HC   _H67    77     1.09380   110.59255   -62.03176
   97    92 S   CO4  _C6_    67     1.36217   118.75203  -101.17174
   98    97 S   O    _O27    68     1.22318   126.66859    -3.72536
   99    97 S   CT   _C21    69     1.49920   109.62781   174.08580
  100    99 S   HC   _H47    70     1.09230   109.56559   -82.76979
  101    99 S   HC   _H48    71     1.09358   109.26531   157.01870
  102    99 S   HC   _H49    72     1.09319   110.47633    38.60738
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  15   6  16   5   6  22   3   2   1   1  21
   9   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1
  20  24  10   9   3   2   1  10   5   4  15   2   1  18   8   7
   3   2   1   3   1   1   9   5   6   3   1   6   3   2   1   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    54    57    58    61    62    63    64    42    44  
   38    39    40    48    57    58    61    42  
   36    37  
   37  
    0  
   39    40    41    43    48    90    57    58    61    50    42    44    45    46    47  
   40    41    43    57    42    44  
   41    43    48    49    54    65    87    90    91    57    50    51    52    53    42    44  
   43    48    90    50    42  
   44    45    46    47    43    57  
   48    49    54    55    56    59    65    66    78    87    88    90    91    92    68    57    58    61    50    51    52    53  
   45    46    47  
   46    47  
   47  
    0  
   49    54    55    56    59    60    65    86    87    90    91    57    58    61    62    63    64    50    51    52    53  
   54    55    56    59    90    57    58    61    50  
   51    52    53    54    57    65    87    90    91  
   52    53    90  
   53    90  
   90  
   55    56    59    60    65    66    76    86    90    68    57    58    61  
   56    59    60    65    86    57  
   59    60    65    86    57  
   58    61    62    63    64    59    90  
   61    62    63    64  
   60    65    66    67    72    76    77    86    75    87    90    91    68    69    70    71  
   65    66    76    86    90    68  
   62    63    64  
   63    64  
   64  
    0  
   66    67    72    73    74    76    86    75    78    87    88    90    91    92    80    84    68    69    70    71  
   67    72    73    74    76    77    86    75    78    79    87    90    91    89    80    81    82    83    84    85    68    69    70    71  
   72    73    74    76    75    78    90    80    84    68  
   69    70    71    72    75    86    87    90    91  
   70    71    90  
   71    90  
   90  
   73    74    76    77    86    75    78    90    80    84  
   74    76    77    86    75  
   76    77    86    75  
   78    79    87    88    90    92    89    93    80    81    82    83    84    85    76  
   77    86  
   86  
   79    87    88    90    91    92    97    89    93    94    95    96    80    81    82    83    84    85  
   87    88    90    92    89    93    80    84  
   81    82    83    84    85    87    89  
   82    83    84  
   83    84  
   84  
   85    87    89  
    0  
   90  
   88    90    91    92    97    98    99    89    93  
   90    91    92    97    89  
   93    94    95    96    90    92  
   91    92    97  
   92  
   97    98    99   100   101   102  
   94    95    96  
   95    96  
   96  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    48   268.000  1.529
   43    90   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    86   320.000  1.410
   65    66   268.000  1.529
   65    90   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   317.000  1.522
   76    77   570.000  1.229
   76    86   214.000  1.327
   75    78   268.000  1.529
   75    80   268.000  1.529
   75    84   320.000  1.410
   78    79   340.000  1.090
   78    87   268.000  1.529
   78    89   320.000  1.410
   87    88   340.000  1.090
   87    90   268.000  1.529
   87    92   320.000  1.410
   90    91   340.000  1.090
   92    97   214.000  1.327
   97    98   570.000  1.229
   97    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   89    93   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    44    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    48    63.00000  111.10000
   40    43    90    63.00000  111.10000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    58.35000  112.70000
   43    90    65    58.35000  112.70000
   43    90    87    58.35000  112.70000
   43    90    91    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    61    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    86    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    58.35000  112.70000
   59    65    90    58.35000  112.70000
   59    65    68    58.35000  112.70000
   59    86    76    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    75    58.35000  112.70000
   65    90    87    58.35000  112.70000
   65    90    91    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    76    63.00000  111.10000
   66    75    78    58.35000  112.70000
   66    75    80    58.35000  112.70000
   66    75    84    50.00000  109.50000
   72    66    67    37.50000  110.70000
   72    76    77    80.00000  120.40000
   72    76    86    81.00000  111.40000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   86    59    60    35.00000  109.50000
   86    59    65    50.00000  109.50000
   86    76    77    83.00000  123.40000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    87    58.35000  112.70000
   75    78    89    50.00000  109.50000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   75    84    85    55.00000  108.50000
   78    87    88    37.50000  110.70000
   78    87    90    58.35000  112.70000
   78    87    92    50.00000  109.50000
   78    89    93    60.00000  109.50000
   87    78    79    37.50000  110.70000
   87    90    91    37.50000  110.70000
   87    92    97    83.00000  116.90000
   90    43    48    58.35000  112.70000
   90    65    66    58.35000  112.70000
   90    87    88    37.50000  110.70000
   92    87    88    35.00000  109.50000
   92    87    90    50.00000  109.50000
   92    97    98    83.00000  123.40000
   92    97    99    81.00000  111.40000
   97    99   100    35.00000  109.50000
   97    99   101    35.00000  109.50000
   97    99   102    35.00000  109.50000
   99    97    98    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   89    78    79    35.00000  109.50000
   89    78    87    50.00000  109.50000
   89    93    94    35.00000  109.50000
   89    93    95    35.00000  109.50000
   89    93    96    35.00000  109.50000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   80    75    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    75    78    50.00000  109.50000
   84    75    80    50.00000  109.50000
   68    65    66    58.35000  112.70000
   68    65    90    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    43    48    58.35000  112.70000
   50    43    90    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
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   68    65    66    72   0.20000  1.0 3.0
   68    65    66    75   0.56750  1.0 1.0
   68    65    66    75  -0.07550 -1.0 2.0
   68    65    66    75   0.20000  1.0 3.0
   68    65    90    43   0.56750  1.0 1.0
   68    65    90    43  -0.07550 -1.0 2.0
   68    65    90    43   0.20000  1.0 3.0
   68    65    90    87   0.56750  1.0 1.0
   68    65    90    87  -0.07550 -1.0 2.0
   68    65    90    87   0.20000  1.0 3.0
   68    65    90    91   0.15000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40  -0.95700  1.0 1.0
   57    33   -38    40  -0.18200 -1.0 2.0
   57    33   -38    40   0.29450  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    59   0.56750  1.0 1.0
   57    48    54    59  -0.07550 -1.0 2.0
   57    48    54    59   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    54   0.56750  1.0 1.0
   50    43    48    54  -0.07550 -1.0 2.0
   50    43    48    54   0.20000  1.0 3.0
   50    43    48    57   0.56750  1.0 1.0
   50    43    48    57  -0.07550 -1.0 2.0
   50    43    48    57   0.20000  1.0 3.0
   50    43    90    65   0.56750  1.0 1.0
   50    43    90    65  -0.07550 -1.0 2.0
   50    43    90    65   0.20000  1.0 3.0
   50    43    90    87   0.56750  1.0 1.0
   50    43    90    87  -0.07550 -1.0 2.0
   50    43    90    87   0.20000  1.0 3.0
   50    43    90    91   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   72    86    76    77  10.50000 -1.0 2.0
   92    99    97    98  10.50000 -1.0 2.0
END
