* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    172    258     499
    1     0 S   NP   _N1_     1    30.61912    92.51048   -17.34395
    2     1 S   H    _HN1     2     1.03079   115.36921   114.25775
    3     1 S   H    _H1_     3     1.02727    15.15027    53.81177
    4     1 S   H    _H2_     4     1.03305   114.92634   -11.20321
    5     1 S   CT   _CA1     5     1.50038    96.37935  -129.44171
    6     5 S   HC   _HA1     6     1.09572   105.16652    58.26715
    7     5 S   CO3  _C1_     7     1.53744   113.04788   -61.86069
    8     7 S   O2Z  _O11     8     1.26318   115.26911   -36.95633
    9     7 S   O2Z  _O12     9     1.26300   114.89228   142.12512
   10     5 S   CT   _CB1    10     1.52839   107.00668   175.89430
   11    10 S   HC   HB11    11     1.09856   108.97949   -51.89798
   12    10 S   HC   HB12    12     1.09727   110.09041    63.92996
   13    10 S   CT   _CG1    13     1.53131   113.55385  -173.29045
   14    13 S   HC   HG11    14     1.09563   111.18985   -73.85147
   15    13 S   HC   HG12    15     1.09585   110.88056    45.95298
   16    13 S   C    _CD1    16     1.51428   109.57148   165.06655
   17    16 S   O    _OE1    17     1.22821   121.69860  -102.65939
   18    16 S   N    _N2_    18     1.38359   112.78185    74.80068
   19    18 S   H    _HN2    19     1.01535   118.93042     9.79822
   20    18 S   CT1  _CA2    20     1.45962   123.27519  -170.09254
   21    20 S   HC   _HA2    21     1.09613   109.05116    -5.56944
   22    20 S   C    _C2_    22     1.53431   110.57119  -122.00350
   23    22 S   O    _O2_    23     1.23147   121.53657  -162.95096
   24    20 S   CT   _CB2    32     1.53846   111.39639   116.14588
   25    24 S   HC   HB21    33     1.09652   109.39602    67.89348
   26    24 S   HC   HB22    34     1.09597   110.89829  -175.39355
   27    22 S   N    _N3_    24     1.38110   114.57611    22.52495
   28    27 S   H    _HN3    25     1.01624   119.48195    -2.66543
   29    24 S   S    _SG2    35     1.83004   115.11062   -51.52330
   30    27 S   CT   _CA3    26     1.45308   122.90070   178.29085
   31    30 S   HC   HA31    27     1.09556   107.20188   -70.03790
   32    30 S   HC   HA32    28     1.09561   108.29980    46.36137
   33    29 S   S    _S2_    36     2.05502   103.01844   -65.92221
   34    30 S   CO3  _C3_    29     1.52824   114.29397   168.26728
   35    34 S   O2Z  _O31    30     1.26339   116.07312   -10.52252
   36    34 S   O2Z  _O32    31     1.26427   114.47398   169.76826
   37    33 S   CT   _C19    37     1.84175   102.96064   -87.24763
   38    37 S   HC   _H7_    38     1.09701   107.31987    47.77231
   39    37 S   CT   _C18    39     1.54597   111.73489   -70.04064
   40    39 S   HC   _H18    40     1.09515   109.09714    60.77482
   41    39 S   HC   _H19    41     1.09828   108.01686   174.86725
   42    37 S   CT   _C20    88     1.54507   110.42307   164.78704
   43    42 S   HC   _H20    89     1.09944   107.78953   169.69040
   44    42 S   HC   _H21    90     1.09865   110.17223    53.96846
   45    39 S   CT   _C17    42     1.53588   115.67816   -63.67531
   46    45 S   HC   _H16    43     1.09474   110.88227    58.17257
   47    45 S   HC   _H17    44     1.09606   109.14121   -59.03514
   48    42 S   CT   _C21    91     1.54042   113.13416   -69.80567
   49    48 S   SM   _S1_    92     1.83554   109.10220  -175.67251
   50    48 S   HC   _H22    93     1.09683   108.76778   -53.44872
   51    48 S   HC   _H23    94     1.09545   109.78672    61.93180
   52    45 S   CT   _C16    45     1.53509   113.06840  -178.49481
   53    52 S   HC   _H14    46     1.09728   108.17000   169.52234
   54    52 S   HC   _H15    47     1.09672   109.20655    54.00510
   55    52 S   CT   _C15    48     1.52710   114.58943   -68.50595
   56    55 S   HC   _H12    49     1.09625   109.97371   175.21243
   57    55 S   HC   _H13    50     1.09456   111.06536    57.81612
   58    55 S   CO4  _C14    51     1.50870   112.02388   -65.98208
   59    58 S   O    _O38    52     1.22312   124.30910   -55.40531
   60    58 S   OS   _O37    53     1.35538   110.45574   124.88748
   61    60 S   P2   _P1_    54     1.62915   123.91947   178.87848
   62    61 S   O2Z  _O36    55     1.51370   109.44392    65.50958
   63    61 S   O2Z  _O35    56     1.51210   109.39216   -69.05488
   64    61 S   OS   _O34    57     1.63048    98.68052   177.03469
   65    64 S   CT   _C13    58     1.42425   119.82615    79.05337
   66    65 S   HC   _H10    59     1.09430   109.80917   -45.60173
   67    65 S   HC   _H11    60     1.09439   107.43822    73.65464
   68    65 S   CT   _C12    61     1.51965   107.51955  -166.35126
   69    68 S   HC   _H6_    62     1.09750   109.60845    54.24795
   70    68 S   CT   _C11    63     1.52564   116.04665   179.94766
   71    70 S   HC   _H5_    64     1.09446   111.31965   -80.47987
   72    70 S   CT   _C10    65     1.51937   101.56210   157.47031
   73    72 S   HC   _H4_    66     1.09456   114.45818  -156.76389
   74    70 S   OH   _O39    86     1.42206   110.78188    40.86416
   75    74 S   HO   _H24    87     0.97271   107.62261   178.74477
   76    72 S   CO   _C9_    67     1.53368   101.83020   -36.75615
   77    76 S   HC   _H3_    68     1.09624   110.18218   -89.30455
   78    72 S   OH   _O40    84     1.42427   108.87784    81.54668
   79    78 S   HO   _H25    85     0.97279   107.57878    68.35592
   80    76 S   N*   _N6_    69     1.44554   116.47729   146.83799
   81    68 S   OS   _O33    83     1.44065   108.88178   -61.17429
   82    80 S   CRAB _C8_    70     1.36947   126.01706   -78.10826
   83    82 S   HA   _H9_    71     1.08091   122.12441     4.44559
   84    82 S   NNA  _N7_    72     1.31480   112.31377  -174.73095
   85    84 S   C56B _C6_    73     1.37608   104.78517    -1.10198
   86    80 S   C56A _C7_    74     1.36705   126.75440   105.75471
   87    86 S   NB   _N5_    75     1.34204   127.88849    -4.53523
   88    87 S   CQ   _C4_    76     1.34697   110.62219   178.82247
   89    88 S   HA   _H8_    77     1.08484   115.76535  -179.95154
   90    88 S   NB   _N4_    78     1.35348   128.70627    -0.00000
   91    85 S   CA   _C5_    79     1.40387   131.70366   179.75371
   92    91 S   NND  _N8_    80     1.38052   122.41486    -1.05758
   93    92 S   H    _H26    81     1.01440   120.90019    -3.68785
   94    92 S   H    _H27    82     1.00972   119.47399  -178.65827
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  15   8  13   6   5   7   5   4   9   5   4   3
   2   1   1   8   5   4   6   4   3   6   2   5   7   3   2   7
  10   5   4  12   6  11   7  11   7   4   1  11   5   3   1   9
   2   6   3   6   8   6   4   4   2   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    42    43    44    48  
   35    36  
   36  
    0  
   38    39    40    41    45    46    47    52    42    43    44    48    49    50    51  
   39    40    41    45    42    43    44    48  
   40    41    45    46    47    52    53    54    55    42    43    44    48  
   41    45    46    47    52    42  
   45    46    47    52    42  
   43    44    48    49    50    51    45  
   44    48    49    50    51  
   48    49    50    51  
   46    47    52    53    54    55    56    57    58  
   47    52    53    54    55  
   52    53    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59    60  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    60    61  
   57    58    59    60  
   58    59    60  
   59    60    61    62    63    64  
   60    61  
   61    62    63    64    65  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65    66    67    68    69    70    81  
   66    67    68    69    70    71    72    76    81    74  
   67    68    69    70    81  
   68    69    70    81  
   69    70    71    72    73    76    77    80    81    78    74    75  
   70    71    72    76    81    74  
   71    72    73    76    77    80    81    78    79    74    75  
   72    73    76    81    78    74    75  
   73    76    77    80    82    86    81    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78    81  
    0  
   77    80    82    83    84    85    86    87    81    78    79  
   80    82    86    81    78  
   79    80    81  
    0  
   82    83    84    85    86    87    88    91    81  
   82    86  
   83    84    85    86    87    91  
   84    85    86  
   85    86    87    90    91    92  
   86    87    88    90    91    92    93    94  
   87    88    89    90    91    92  
   88    89    90    91  
   89    90    91    92  
   90    91  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   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   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.490000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   84   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   85   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   88   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   90   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   91   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   93   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   94   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    42   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.522
   58    59   570.000  1.229
   58    60   214.000  1.327
   60    61   230.000  1.697
   61    62   525.000  1.480
   61    63   525.000  1.480
   61    64   230.000  1.697
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    81   320.000  1.410
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   250.000  1.527
   72    78   320.000  1.410
   76    77   340.000  1.090
   76    80   275.000  1.479
   76    81   320.000  1.380
   80    82   440.000  1.371
   80    86   436.000  1.374
   82    83   367.000  1.080
   82    84   529.000  1.304
   84    85   414.000  1.391
   85    86   447.000  1.419
   85    91   469.000  1.404
   86    87   461.000  1.354
   87    88   502.000  1.324
   88    89   367.000  1.080
   88    90   502.000  1.324
   90    91   483.000  1.339
   91    92   481.000  1.340
   92    93   434.000  1.010
   92    94   434.000  1.010
   78    79   553.000  0.945
   74    75   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   222.000  1.810
   48    50   340.000  1.090
   48    51   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    75.00000  111.63000
   33    37    42    75.00000  111.63000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    45    58.35000  112.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   39    37    38    37.50000  110.70000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    52    58.35000  112.70000
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    58.35000  112.70000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    63.00000  111.10000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    80.00000  120.40000
   55    58    60    81.00000  111.40000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    80.00000  120.00000
   60    58    59    83.00000  123.40000
   60    61    62   100.00000  108.23000
   60    61    63   100.00000  108.23000
   60    61    64    45.00000  102.60000
   61    64    65   100.00000  120.50000
   63    61    62   140.00000  119.90000
   64    61    62   100.00000  108.23000
   64    61    63   100.00000  108.23000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    68    50.00000  109.50000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    81    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    58.35000  112.70000
   68    70    74    50.00000  109.50000
   68    81    76    60.00000  109.50000
   70    68    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    76    75.00000  109.43000
   70    72    78    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    76    77    45.00000  112.01100
   72    76    80    75.00000  107.44000
   72    76    81    90.00000  108.56700
   72    78    79    55.00000  108.50000
   76    72    73    45.00000  108.72000
   76    80    82    70.00000  128.80000
   76    80    86    70.00000  125.80000
   80    76    77    55.00000  103.44000
   80    82    83    35.00000  123.05000
   80    82    84    70.00000  113.90000
   80    86    85    70.00000  106.20000
   80    86    87    70.00000  126.20000
   82    84    85    70.00000  103.80000
   84    82    83    35.00000  123.05000
   84    85    86    70.00000  110.40000
   84    85    91    70.00000  132.40000
   85    86    87    70.00000  127.70000
   85    91    90    70.00000  117.30000
   85    91    92    70.00000  123.50000
   86    80    82    70.00000  105.40000
   86    87    88    70.00000  111.00000
   87    88    89    35.00000  115.45000
   87    88    90    70.00000  129.10000
   88    90    91    70.00000  118.60000
   90    88    89    35.00000  115.45000
   90    91    92    70.00000  119.30000
   91    85    86    85.00000  116.20000
   91    92    93    35.00000  120.00000
   91    92    94    35.00000  120.00000
   94    92    93    35.00000  120.00000
   81    68    69    35.00000  109.50000
   81    68    70    50.00000  109.50000
   81    76    77    35.00000  109.50000
   81    76    80   105.00000  106.22000
   78    72    73    35.00000  109.50000
   78    72    76    90.00000  111.58700
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   42    37    38    37.50000  110.70000
   42    37    39    58.35000  112.70000
   42    48    49    75.00000  111.63000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   50    48    49    35.00000  109.50000
   51    48    49    35.00000  109.50000
   51    48    50    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.09450  1.0 1.0
   29    33    37    39  -0.17100 -1.0 2.0
   29    33    37    39   0.39100  1.0 3.0
   29    33    37    42   0.09450  1.0 1.0
   29    33    37    42  -0.17100 -1.0 2.0
   29    33    37    42   0.39100  1.0 3.0
   33    37    39    40   0.15000  1.0 3.0
   33    37    39    41   0.15000  1.0 3.0
   33    37    39    45   0.44750  1.0 1.0
   33    37    39    45  -0.17800 -1.0 2.0
   33    37    39    45   0.20200  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37    42    48   0.44750  1.0 1.0
   33    37    42    48  -0.17800 -1.0 2.0
   33    37    42    48   0.20200  1.0 3.0
   37    39    45    46   0.15000  1.0 3.0
   37    39    45    47   0.15000  1.0 3.0
   37    39    45    52   0.56750  1.0 1.0
   37    39    45    52  -0.07550 -1.0 2.0
   37    39    45    52   0.20000  1.0 3.0
   37    42    48    49   0.44750  1.0 1.0
   37    42    48    49  -0.17800 -1.0 2.0
   37    42    48    49   0.20200  1.0 3.0
   37    42    48    50   0.15000  1.0 3.0
   37    42    48    51   0.15000  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    45   0.15000  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    44   0.15000  1.0 3.0
   39    37    42    48   0.56750  1.0 1.0
   39    37    42    48  -0.07550 -1.0 2.0
   39    37    42    48   0.20000  1.0 3.0
   39    45    52    53   0.15000  1.0 3.0
   39    45    52    54   0.15000  1.0 3.0
   39    45    52    55   0.56750  1.0 1.0
   39    45    52    55  -0.07550 -1.0 2.0
   39    45    52    55   0.20000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    52   0.15000  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.15000  1.0 3.0
   41    39    45    52   0.15000  1.0 3.0
   45    52    55    56   0.15000  1.0 3.0
   45    52    55    57   0.15000  1.0 3.0
   45    52    55    58  -0.95700  1.0 1.0
   45    52    55    58  -0.18200 -1.0 2.0
   45    52    55    58   0.29450  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    55   0.15000  1.0 3.0
   47    45    52    53   0.15000  1.0 3.0
   47    45    52    54   0.15000  1.0 3.0
   47    45    52    55   0.15000  1.0 3.0
   52    55    58    59   0.30150 -1.0 2.0
   52    55    58    60   0.36750  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58  -0.11250  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58  -0.11250  1.0 3.0
   55    58    60    61   2.00000 -1.0 2.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    60   0.00000  1.0 1.0
   58    60    61    62   0.00000  1.0 1.0
   58    60    61    63   0.00000  1.0 1.0
   58    60    61    64   0.15000  1.0 3.0
   59    58    60    61   3.00000 -1.0 2.0
   60    61    64    65   0.05050  1.0 1.0
   60    61    64    65  -1.30700 -1.0 2.0
   60    61    64    65   0.91550  1.0 3.0
   61    64    65    66   0.03000  1.0 3.0
   61    64    65    67   0.03000  1.0 3.0
   61    64    65    68  -2.65550  1.0 1.0
   61    64    65    68  -0.22350 -1.0 2.0
   61    64    65    68   0.24150  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   63    61    64    65   0.00000  1.0 1.0
   64    65    68    69   0.23400  1.0 3.0
   64    65    68    70   0.62750  1.0 1.0
   64    65    68    70  -0.30950 -1.0 2.0
   64    65    68    70   0.27300  1.0 3.0
   64    65    68    81   1.11900  1.0 1.0
   64    65    68    81  -1.16350 -1.0 2.0
   64    65    68    81  -0.34150  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    70    72   0.56750  1.0 1.0
   65    68    70    72  -0.07550 -1.0 2.0
   65    68    70    72   0.20000  1.0 3.0
   65    68    70    74   0.86500  1.0 1.0
   65    68    70    74  -0.17500 -1.0 2.0
   65    68    70    74   0.20800  1.0 3.0
   65    68    81    76   0.06250  1.0 1.0
   65    68    81    76  -0.01100 -1.0 2.0
   65    68    81    76   0.28050  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    81   0.23400  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    81   0.23400  1.0 3.0
   68    70    72    73   0.15000  1.0 3.0
   68    70   -72    76   3.97050  1.0 1.0
   68    70    72    78   0.86500  1.0 1.0
   68    70    72    78  -0.17500 -1.0 2.0
   68    70    72    78   0.20800  1.0 3.0
   68    70    74    75  -0.11600  1.0 1.0
   68    70    74    75  -0.09450 -1.0 2.0
   68    70    74    75   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    74   0.23400  1.0 3.0
   69    68    81    76   0.37050  1.0 3.0
   70    68   -81    76   0.06250  1.0 1.0
   70    68   -81    76  -0.01100 -1.0 2.0
   70    68   -81    76   0.28050  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72    76    80  -0.64600  1.0 1.0
   70    72    76    80   0.58400 -1.0 2.0
   70    72   -76    81   0.62750  1.0 1.0
   70    72   -76    81  -0.30950 -1.0 2.0
   70    72   -76    81   0.27300  1.0 3.0
   70    72    78    79  -0.11600  1.0 1.0
   70    72    78    79  -0.09450 -1.0 2.0
   70    72    78    79   0.21250  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    72    78   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   72    76    80    82   1.10250  1.0 1.0
   72    76    80    82   0.01650 -1.0 2.0
   72    76    80    82   0.39100  1.0 3.0
   72    76    80    86   1.10250  1.0 1.0
   72    76    80    86   0.01650 -1.0 2.0
   72    76    80    86   0.39100  1.0 3.0
   72    76   -81    68   0.06250  1.0 1.0
   72    76   -81    68  -0.01100 -1.0 2.0
   72    76   -81    68   0.28050  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.15000  1.0 3.0
   73    72    76    81   0.23400  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79  -0.11600  1.0 1.0
   76    72    78    79  -0.09450 -1.0 2.0
   76    72    78    79   0.21250  1.0 3.0
   76    80    82    83   3.62500 -1.0 2.0
   76    80    82    84   3.62500 -1.0 2.0
   76    80    86    85   0.81400  1.0 1.0
   76    80    86    85   1.55550 -1.0 2.0
   76    80    86    87   3.62500 -1.0 2.0
   77    76    80    82   0.00000  1.0 1.0
   77    76    80    86   0.00000  1.0 1.0
   77    76    81    68   0.37050  1.0 3.0
   80    76    81    68  -2.37750  1.0 1.0
   80    76    81    68  -0.08150 -1.0 2.0
   80    76    81    68   0.59000  1.0 3.0
   80    82   -84    85   3.62500 -1.0 2.0
   80    86    87    88   3.62500 -1.0 2.0
   82    80   -86    85   0.70250  1.0 1.0
   82    80   -86    85   1.56150 -1.0 2.0
   82    80    86    87   3.62500 -1.0 2.0
   82    84   -85    86   3.62500 -1.0 2.0
   82    84    85    91   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   84    85   -86    80   3.62500 -1.0 2.0
   84    85    86    87   3.62500 -1.0 2.0
   84    85    91    90   3.62500 -1.0 2.0
   84    85    91    92   3.62500 -1.0 2.0
   85    86    87    88   3.62500 -1.0 2.0
   85    91    92    93   0.70000 -1.0 2.0
   85    91    92    94   0.70000 -1.0 2.0
   86    80    82    83   3.62500 -1.0 2.0
   86    80   -82    84   3.62500 -1.0 2.0
   86    85    91    90   3.62500 -1.0 2.0
   86    85    91    92   3.62500 -1.0 2.0
   86    87    88    89   3.62500 -1.0 2.0
   86    87   -88    90   3.62500 -1.0 2.0
   87    88    90    91   3.62500 -1.0 2.0
   88    90   -91    85   3.62500 -1.0 2.0
   88    90    91    92   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   90    91    92    93   0.70000 -1.0 2.0
   90    91    92    94   0.70000 -1.0 2.0
   91    85    86    80   3.00000 -1.0 2.0
   91    85   -86    87   3.62500 -1.0 2.0
   81    68    70    71   0.23400  1.0 3.0
   81    68   -70    72   0.62750  1.0 1.0
   81    68   -70    72  -0.30950 -1.0 2.0
   81    68   -70    72   0.27300  1.0 3.0
   81    68    70    74   3.69350  1.0 1.0
   81    68    70    74  -1.82950 -1.0 2.0
   81    76    80    82   0.10350  1.0 1.0
   81    76    80    82  -0.15350 -1.0 2.0
   81    76    80    86   0.10350  1.0 1.0
   81    76    80    86  -0.15350 -1.0 2.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   2.76900  1.0 1.0
   78    72    76    80  -0.24350 -1.0 2.0
   78    72    76    80  -0.78250  1.0 3.0
   78    72    76    81   3.69350  1.0 1.0
   78    72    76    81  -1.82950 -1.0 2.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   0.86500  1.0 1.0
   74    70    72    76  -0.17500 -1.0 2.0
   74    70    72    76   0.20800  1.0 3.0
   74    70    72    78   3.75450  1.0 1.0
   42    37    39    40   0.15000  1.0 3.0
   42    37    39    41   0.15000  1.0 3.0
   42    37    39    45   0.56750  1.0 1.0
   42    37    39    45  -0.07550 -1.0 2.0
   42    37    39    45   0.20000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    50   0.15000  1.0 3.0
   44    42    48    51   0.15000  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
   55    60    58    59  10.50000 -1.0 2.0
   82    86    80    76   4.00000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   86    91    85    84   4.00000 -1.0 2.0
   85    87    86    80   4.00000 -1.0 2.0
   90    89    88    87   1.10000 -1.0 2.0
   90    92    91    85   4.00000 -1.0 2.0
   94    91    92    93   1.00000 -1.0 2.0
END
