* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    203    339     619
    1     0 S   NP   _N1_     1    28.96919    94.01752   -25.77510
    2     1 S   H    _HN1     2     1.02788   116.88470  -104.42054
    3     1 S   H    _H1_     3     1.02949    87.12265     4.73929
    4     1 S   H    _H2_     4     1.02828    20.00372  -171.72329
    5     1 S   CT   _CA1     5     1.50117   118.46654   116.44574
    6     5 S   HC   _HA1     6     1.09573   105.18467    79.61312
    7     5 S   CO3  _C1_     7     1.53783   112.45473   -40.60843
    8     7 S   O2Z  _O11     8     1.26373   115.00929   -42.69366
    9     7 S   O2Z  _O12     9     1.26239   114.94548   136.38486
   10     5 S   CT   _CB1    10     1.53069   107.41019  -162.41587
   11    10 S   HC   HB11    11     1.09835   109.35686   -49.63162
   12    10 S   HC   HB12    12     1.09812   110.45874    66.97257
   13    10 S   CT   _CG1    13     1.52995   112.61506  -170.59652
   14    13 S   HC   HG11    14     1.09579   110.65262   -66.08713
   15    13 S   HC   HG12    15     1.09671   109.76735    53.15198
   16    13 S   C    _CD1    16     1.51801   112.16446   173.60230
   17    16 S   O    _OE1    17     1.22741   123.24686     8.09534
   18    16 S   N    _N2_    18     1.38643   111.69478  -171.90250
   19    18 S   H    _HN2    19     1.01570   119.04735     1.41264
   20    18 S   CT1  _CA2    20     1.46232   123.41845   177.57683
   21    20 S   HC   _HA2    21     1.09741   109.17107     5.76701
   22    20 S   C    _C2_    22     1.53667   109.11811  -109.56407
   23    22 S   O    _O2_    23     1.23079   122.26003  -151.44126
   24    20 S   CT   _CB2    32     1.53520   111.59794   127.60087
   25    24 S   HC   HB21    33     1.09537   109.51598    55.24132
   26    24 S   HC   HB22    34     1.09109   109.81740   173.36635
   27    22 S   N    _N3_    24     1.38322   113.89427    36.21232
   28    27 S   H    _HN3    25     1.01551   119.57668    -3.56705
   29    24 S   S    _SG2    35     1.83170   110.92676   -64.25951
   30    27 S   CT   _CA3    26     1.45268   123.23430   177.01220
   31    30 S   HC   HA31    27     1.09550   107.53822   -63.96693
   32    30 S   HC   HA32    28     1.09557   107.96022    52.47268
   33    29 S   CT   _C13    36     1.88965   103.58247  -148.55090
   34    30 S   CO3  _C3_    29     1.52957   114.07457   174.45539
   35    34 S   O2Z  _O31    30     1.26378   116.08916    -0.38104
   36    34 S   O2Z  _O32    31     1.26428   114.40699   179.66898
   37    33 S   CT   _C12    37     1.61799   108.05086    90.79396
   38    37 S   HC   _H6_    38     1.09564   107.02626  -173.12360
   39    33 S   CT   _C14    81     1.59608   116.82867   -32.79057
   40    39 S   OM   _O35    82     1.32375   112.98079   -43.02956
   41    39 S   HC   _H7_    83     1.09613   108.25034    88.56667
   42    37 S   CT   _C15    39     1.54335   113.62041   -57.24811
   43    42 S   HC   _H16    40     1.09363   111.05223    63.40438
   44    42 S   HC   _H17    41     1.09353   110.82874   -55.42939
   45    37 S   CT   _C11    58     1.56051   114.39530    70.29174
   46    45 S   HC   _H5_    59     1.09894   106.99730   -62.05520
   47    42 S   CT   _C16    42     1.52133   112.54265  -175.58652
   48    47 S   HC   _H18    43     1.09508   108.98358    64.67351
   49    47 S   HC   _H19    44     1.09793   107.62116   179.92598
   50    45 S   CT   _C10    60     1.53824   109.77532    53.87598
   51    50 S   HC   _H14    61     1.09478   110.37903  -175.17103
   52    50 S   HC   _H15    62     1.09340   110.93376    67.51656
   53    47 S   CT   _C17    45     1.53797   111.95359   -59.46113
   54    50 S   CT   _C9_    63     1.51700   112.96085   -55.24275
   55    54 S   HC   _H12    64     1.09750   108.18679   178.96353
   56    54 S   HC   _H13    65     1.09845   107.67917   -67.47108
   57    53 S   CT   _C22    46     1.54306   109.41919  -177.58411
   58    57 S   HC   _H24    47     1.09795   110.55096   164.64625
   59    57 S   HC   _H25    48     1.09904   110.09274    51.48657
   60    33 S   CT   _C8_    66     1.60160   109.59380  -148.89484
   61    53 S   OH   _O37   101     1.43571   107.64970   -61.70807
   62    61 S   HO   _H30   102     0.97239   108.16425   -57.33979
   63    57 S   CT   _C21    49     1.52522   113.37885   -71.38987
   64    63 S   HC   _H8_    50     1.09535   110.49798    69.31731
   65    60 S   CT   _C7_    67     1.58284   102.67501   165.05227
   66    65 S   HC   _H4_    68     1.09870   106.32268    83.39989
   67    60 S   CT   _C24    91     1.56259   115.23679    44.95512
   68    67 S   HC   _H31    92     1.09051   113.89785    63.15065
   69    67 S   HC   _H32    93     1.09431   112.43150   -59.63291
   70    67 S   HC   _H33    94     1.09726   110.75283  -176.96333
   71    63 S   CT   _C20    51     1.52211   111.58328   -52.77829
   72    71 S   HC   _H22    52     1.09721   109.95008   -70.59848
   73    71 S   HC   _H23    53     1.09738   109.33295   174.74663
   74    65 S   CM   _C25    69     1.52077   117.15856  -160.38743
   75    65 S   CT   _C6_    79     1.56756   106.41308   -24.63080
   76    75 S   HC   _H3_    80     1.10066   105.25554   114.17081
   77    63 S   OH   _O36    99     1.42490   109.51252  -172.88206
   78    77 S   HO   _H26   100     0.97245   107.57461   -58.54268
   79    71 S   CT   _C19    54     1.52928   112.52445    52.79058
   80    79 S   HC   _H20    55     1.09565   108.42909    69.14577
   81    79 S   HC   _H21    56     1.09609   107.13479  -176.65426
   82    74 S   CM   _C26    70     1.44627   117.86928   -94.65878
   83    82 S   HC   _H34    71     1.08523   119.01111     0.63674
   84    75 S   OS   _O34    84     1.43671   114.29803  -129.89434
   85    53 S   CT   _C18    57     1.56803   111.33969    57.27934
   86    82 S   CM   _C27    72     1.33633   121.40593  -179.60238
   87    86 S   HC   _H35    73     1.08344   121.53521  -179.89165
   88    84 S   CO4  _C5_    85     1.36247   117.43032  -157.59248
   89    88 S   O    _O33    86     1.22345   126.73250     2.29704
   90    86 S   CO4  _C28    74     1.47498   120.63411     0.07133
   91    90 S   O    _O38    75     1.22664   120.58483   179.92598
   92    88 S   CT   _C4_    87     1.49858   109.28935  -178.12539
   93    92 S   HC   _H9_    88     1.09290   109.81898   -61.76025
   94    92 S   HC   _H10    89     1.09376   109.37430   179.11221
   95    92 S   HC   _H11    90     1.09297   109.82692    60.12182
   96    85 S   CT   _C23    95     1.55884   109.53513  -169.45066
   97    96 S   HC   _H27    96     1.09562   111.40444    70.19836
   98    96 S   HC   _H28    97     1.09330   112.62471   -50.14310
   99    96 S   HC   _H29    98     1.09466   111.72099  -169.47830
  100    90 S   OS   _O39    76     1.36791   117.16295    -0.10835
  101    74 S   CM   _C29    77     1.34007   125.60771    85.88375
  102   101 S   HC   _H36    78     1.08080   125.91248    -1.35927
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  27   2   1   1  24  10  14   6   5  13   6   5  21   8  12   5
   4  12   6   5  17  12   4   3  14   7   6  12   5   1  10   6
  16   7   5   2   1   1   9   6   5  11   7   2   2   1   7   3
   2   8   4   6   4   5   3   5   4   4   2   3   2   1   1   3
   2   1   1   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    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    54    60    65    75    39    40    41    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    85    45    46    50    54    55    56    60    65    66    74    75    76    39    40    41    84    67    68    69    70  
   35    36  
   36  
    0  
   38    42    43    44    47    48    49    53    79    85    45    46    50    51    52    54    60    65    75    39    40    41    67    96  
   42    43    44    47    85    45    46    50    60    39  
   40    41    84    88    67    42    45    54    60    65    66    74    75    76  
   41    84    60    65    75    76  
   84    60    65    75    76  
   43    44    47    48    49    53    57    85    45    46    50    60    61  
   44    47    48    49    53    45  
   47    48    49    53    45  
   46    50    51    52    54    55    56    60    96    97    98    99    61    47    53    57    71    79    80    81    85  
   50    51    52    54    96    53    79    85  
   48    49    53    57    58    59    63    79    85    96    61    62  
   49    53    57    85    61  
   53    57    85    61  
   51    52    54    55    56    60    65    67    96    53    79    85  
   52    54    55    56    60    85  
   54    55    56    60    85  
   57    58    59    63    64    71    79    80    81    85    96    97    98    99    77    61    62  
   55    56    60    65    66    74    75    67    68    69    70    85  
   56    60    65    67  
   60    65    67  
   58    59    63    64    71    72    73    79    85    96    77    78    61    62  
   59    63    64    71    85    77    61  
   63    64    71    85    77    61  
   65    66    74    82   101    75    76    84    67    68    69    70  
   62    63    79    85    96  
   85  
   64    71    72    73    79    80    81    85    77    78  
   71    72    73    79    77    78  
   66    74    82    83    86   100   101   102    75    76    84    88    67    68    69    70  
   74    82   101    75    76    84    67  
   68    69    70    74    75  
   69    70  
   70  
    0  
   72    73    79    80    81    85    96    77    78  
   73    79    80    81    85    77  
   79    80    81    85    77  
   82    83    86    87    90   100   101   102    75    76    84  
   76    84    88    89    92    82   101  
   84    88  
   78    79  
    0  
   80    81    85    96    97    98    99  
   81    85    96  
   85    96  
   83    86    87    90    91   100   101   102  
   86    87    90   101  
   88    89    92    93    94    95  
   96    97    98    99  
   87    90    91   100   101  
   90    91   100  
   89    92    93    94    95  
   92    93    94    95  
   91   100   101   102  
  100   101  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99  
   98    99  
   99  
    0  
  101   102  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   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   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
  101   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    60   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    57   268.000  1.529
   53    85   268.000  1.529
   53    61   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    77   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    45   268.000  1.529
   85    96   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    65   268.000  1.529
   60    67   268.000  1.529
   65    66   340.000  1.090
   65    74   317.000  1.510
   65    75   268.000  1.529
   74    82   380.000  1.444
   74   101   549.000  1.340
   82    83   340.000  1.080
   82    86   549.000  1.340
   86    87   340.000  1.080
   86    90   320.000  1.462
   90    91   570.000  1.229
   90   100   214.000  1.327
  100   101   440.000  1.360
  101   102   340.000  1.080
   75    76   340.000  1.090
   75    39   268.000  1.529
   75    84   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   84    88   214.000  1.327
   88    89   570.000  1.229
   88    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   77    78   553.000  0.945
   61    62   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    60    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    60    54    58.35000  112.70000
   33    60    65    58.35000  112.70000
   33    60    67    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    45    85    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    50    58.35000  112.70000
   42    37    38    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    53    57    58.35000  112.70000
   47    53    85    58.35000  112.70000
   47    53    61    50.00000  109.50000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    63    58.35000  112.70000
   53    85    79    58.35000  112.70000
   53    85    45    58.35000  112.70000
   53    85    96    58.35000  112.70000
   53    61    62    55.00000  108.50000
   57    63    64    37.50000  110.70000
   57    63    71    58.35000  112.70000
   57    63    77    50.00000  109.50000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    79    58.35000  112.70000
   63    77    78    55.00000  108.50000
   71    63    64    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    85    58.35000  112.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   79    85    45    58.35000  112.70000
   79    85    96    58.35000  112.70000
   81    79    80    33.00000  107.80000
   85    53    57    58.35000  112.70000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    45    46    37.50000  110.70000
   85    45    50    58.35000  112.70000
   85    96    97    37.50000  110.70000
   85    96    98    37.50000  110.70000
   85    96    99    37.50000  110.70000
   45    37    38    37.50000  110.70000
   45    37    42    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    54    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    60    65    58.35000  112.70000
   54    60    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    33    37    58.35000  112.70000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    74    70.00000  112.02700
   60    65    75    58.35000  112.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   65    74    82    70.00000  124.00000
   65    74   101    70.00000  124.00000
   65    75    76    37.50000  110.70000
   65    75    39    58.35000  112.70000
   65    75    84    50.00000  109.50000
   74    65    66    35.00000  109.50000
   74    82    83    35.00000  120.00000
   74    82    86    70.00000  123.01800
   74   101   100    80.00000  120.01400
   74   101   102    35.00000  120.00000
   82    86    87    35.00000  120.00000
   82    86    90    65.00000  118.96000
   86    82    83    35.00000  120.00000
   86    90    91    80.00000  123.72100
   86    90   100    90.00000  111.29400
   90    86    87    40.00000  117.72500
   90   100   101    90.00000  114.22900
  100    90    91    83.00000  123.40000
  100   101   102    55.00000  109.52600
  101    74    82    70.00000  123.01800
   75    65    66    37.50000  110.70000
   75    65    74    70.00000  112.02700
   75    39    40    50.00000  109.50000
   75    39    41    37.50000  110.70000
   75    84    88    83.00000  116.90000
   39    33    37    58.35000  112.70000
   39    33    60    58.35000  112.70000
   39    75    76    37.50000  110.70000
   41    39    40    45.00000  125.66300
   84    75    76    35.00000  109.50000
   84    75    39    50.00000  109.50000
   84    88    89    83.00000  123.40000
   84    88    92    81.00000  111.40000
   88    92    93    35.00000  109.50000
   88    92    94    35.00000  109.50000
   88    92    95    35.00000  109.50000
   92    88    89    80.00000  120.40000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   67    60    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   96    85    45    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   77    63    64    35.00000  109.50000
   77    63    71    50.00000  109.50000
   61    53    57    50.00000  109.50000
   61    53    85    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
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   90   100  -101    74   2.17750 -1.0 2.0
   90   100  -101    74  -0.40250  1.0 3.0
   90   100   101   102   0.50000 -1.0 2.0
   91    90   100   101   3.00000 -1.0 2.0
  101    74    82    83  -0.18600  1.0 3.0
  101    74   -82    86   0.28850  1.0 1.0
  101    74   -82    86   2.61350 -1.0 2.0
  101    74   -82    86   0.78400  1.0 3.0
   75    65    74    82   0.98200  1.0 1.0
   75    65    74    82  -0.11900 -1.0 2.0
   75    65    74    82   0.24250  1.0 3.0
   75    65    74   101   0.09850  1.0 1.0
   75    65    74   101   0.15250 -1.0 2.0
   75    65    74   101  -0.50650  1.0 3.0
   75    84    88    89   3.00000 -1.0 2.0
   75    84    88    92   1.63150  1.0 1.0
   75    84    88    92   2.92000 -1.0 2.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.23400  1.0 3.0
   76    75    39    41   0.15000  1.0 3.0
   76    75    84    88   0.08050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    60    54   0.56750  1.0 1.0
   39    33    60    54  -0.07550 -1.0 2.0
   39    33    60    54   0.20000  1.0 3.0
   39    33   -60    65   0.56750  1.0 1.0
   39    33   -60    65  -0.07550 -1.0 2.0
   39    33   -60    65   0.20000  1.0 3.0
   39    33    60    67   0.56750  1.0 1.0
   39    33    60    67  -0.07550 -1.0 2.0
   39    33    60    67   0.20000  1.0 3.0
   39    75    84    88  -0.25900  1.0 1.0
   39    75    84    88  -0.47000 -1.0 2.0
   39    75    84    88   0.11750  1.0 3.0
   84    75    39    33   0.62750  1.0 1.0
   84    75    39    33  -0.30950 -1.0 2.0
   84    75    39    33   0.27300  1.0 3.0
   84    75    39    40   1.11900  1.0 1.0
   84    75    39    40  -1.16350 -1.0 2.0
   84    75    39    40  -0.34150  1.0 3.0
   84    75    39    41   0.23400  1.0 3.0
   84    88    92    93   0.00000  1.0 1.0
   84    88    92    94   0.00000  1.0 1.0
   84    88    92    95   0.00000  1.0 1.0
   89    88    92    93   0.00000  1.0 1.0
   89    88    92    94   0.00000  1.0 1.0
   89    88    92    95   0.00000  1.0 1.0
   67    60    65    66   0.15000  1.0 3.0
   67    60    65    74   0.34400  1.0 1.0
   67    60    65    74   0.09450 -1.0 2.0
   67    60    65    74   0.11100  1.0 3.0
   67    60    65    75   0.56750  1.0 1.0
   67    60    65    75  -0.07550 -1.0 2.0
   67    60    65    75   0.20000  1.0 3.0
   96    85    45    37   0.56750  1.0 1.0
   96    85    45    37  -0.07550 -1.0 2.0
   96    85    45    37   0.20000  1.0 3.0
   96    85    45    46   0.15000  1.0 3.0
   96    85    45    50   0.56750  1.0 1.0
   96    85    45    50  -0.07550 -1.0 2.0
   96    85    45    50   0.20000  1.0 3.0
   77    63    71    72   0.23400  1.0 3.0
   77    63    71    73   0.23400  1.0 3.0
   77    63    71    79   0.86500  1.0 1.0
   77    63    71    79  -0.17500 -1.0 2.0
   77    63    71    79   0.20800  1.0 3.0
   61    53    57    58   0.23400  1.0 3.0
   61    53    57    59   0.23400  1.0 3.0
   61    53    57    63   0.86500  1.0 1.0
   61    53    57    63  -0.17500 -1.0 2.0
   61    53    57    63   0.20800  1.0 3.0
   61    53    85    79   0.86500  1.0 1.0
   61    53    85    79  -0.17500 -1.0 2.0
   61    53    85    79   0.20800  1.0 3.0
   61    53    85    45   0.86500  1.0 1.0
   61    53    85    45  -0.17500 -1.0 2.0
   61    53    85    45   0.20800  1.0 3.0
   61    53    85    96   0.86500  1.0 1.0
   61    53    85    96  -0.17500 -1.0 2.0
   61    53    85    96   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   65    82    74   101   1.10000 -1.0 2.0
   74    83    82    86   1.10000 -1.0 2.0
   90    87    86    82   1.10000 -1.0 2.0
   86   100    90    91  10.50000 -1.0 2.0
  100   102   101    74   1.10000 -1.0 2.0
   84    92    88    89  10.50000 -1.0 2.0
END
