* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    208    337     628
    1     0 S   NP   _N1_     1    28.92302    97.32448   -18.58486
    2     1 S   H    _HN1     2     1.02788    84.66267   -84.21298
    3     1 S   H    _H1_     3     1.02941    74.20265    26.60794
    4     1 S   H    _H2_     4     1.02833    49.39552   156.72372
    5     1 S   CT   _CA1     5     1.50221   158.61129   132.42668
    6     5 S   HC   _HA1     6     1.09592   104.98291    78.79728
    7     5 S   CO3  _C1_     7     1.53702   112.37991   -40.83152
    8     7 S   O2Z  _O11     8     1.26421   115.14561   -41.04952
    9     7 S   O2Z  _O12     9     1.26222   114.91422   137.75554
   10     5 S   CT   _CB1    10     1.53145   107.31723  -163.67394
   11    10 S   HC   HB11    11     1.09824   108.79034   -50.03434
   12    10 S   HC   HB12    12     1.09805   110.56541    66.33225
   13    10 S   CT   _CG1    13     1.53141   113.03247  -171.21378
   14    13 S   HC   HG11    14     1.09543   110.42986   -72.90261
   15    13 S   HC   HG12    15     1.09688   109.84310    46.15773
   16    13 S   C    _CD1    16     1.52122   112.30230   165.94030
   17    16 S   O    _OE1    17     1.22751   123.19484     4.08006
   18    16 S   N    _N2_    18     1.38683   111.88037  -174.94638
   19    18 S   H    _HN2    19     1.01589   118.82615    -2.03481
   20    18 S   CT1  _CA2    20     1.46519   123.48610   172.91291
   21    20 S   HC   _HA2    21     1.09756   109.32548    -7.25304
   22    20 S   C    _C2_    22     1.53517   107.71139  -122.11545
   23    22 S   O    _O2_    23     1.23012   122.58437  -145.41873
   24    20 S   CT   _CB2    32     1.53328   112.01288   115.37424
   25    24 S   HC   HB21    33     1.09557   109.83059    51.06615
   26    24 S   HC   HB22    34     1.09478   110.79257   170.48506
   27    22 S   N    _N3_    24     1.38433   113.34193    41.99624
   28    27 S   H    _HN3    25     1.01628   119.50321    -3.46967
   29    24 S   S    _SG2    35     1.82475   111.06242   -70.04939
   30    27 S   CT   _CA3    26     1.45280   123.18465   177.07437
   31    30 S   HC   HA31    27     1.09550   107.57840   -62.95039
   32    30 S   HC   HA32    28     1.09557   107.89884    53.46758
   33    29 S   CT   _C28    36     1.86449    99.84098   170.06475
   34    33 S   HC   _H7_    37     1.09609   107.11494   -19.87654
   35    30 S   CO3  _C3_    29     1.52948   114.09326   175.44603
   36    35 S   O2Z  _O31    30     1.26371   116.05553     0.55355
   37    35 S   O2Z  _O32    31     1.26426   114.41616  -179.42427
   38    33 S   CM   _C27    38     1.50846   104.80512    94.95105
   39    38 S   HC   _H36    39     1.08850   117.15238   -79.94160
   40    38 S   CMA  _C26    40     1.34731   123.31742    98.62537
   41    40 S   OM   _O37    41     1.25930   130.83475  -178.47030
   42    40 S   CM   _C25    42     1.46274   117.64455     1.33340
   43    42 S   HC   _H35    43     1.09000   117.87402  -169.18877
   44    42 S   CM   _C24    44     1.35001   123.25405    16.26403
   45    44 S   CT   _C23    45     1.50633   120.08658   169.77038
   46    45 S   HC   _H33    46     1.09737   108.57376   -99.75232
   47    45 S   HC   _H34    47     1.09691   111.10050    16.90724
   48    45 S   CT   _C22    48     1.51897   112.81659   139.17478
   49    48 S   HC   _H31    49     1.09636   108.58257   176.84613
   50    48 S   HC   _H32    50     1.09799   109.42988   -66.98582
   51    48 S   CT   _C9_    51     1.53580   111.74659    55.38320
   52    51 S   HC   _H5_    52     1.09493   108.40195    62.82165
   53    51 S   CT   _C10    53     1.54018   110.03636  -176.17500
   54    53 S   HC   _H6_    54     1.10316   105.52917    61.68995
   55    51 S   CT   _C8_    68     1.55960   109.99032   -57.77124
   56    55 S   HC   _H4_    69     1.09735   102.67508   -62.48803
   57    53 S   CT   _C11    55     1.52273   119.31018   -56.32824
   58    57 S   HC   _H13    56     1.09476   112.20698    74.96224
   59    57 S   HC   _H14    57     1.09570   111.50038   -45.86486
   60    33 S   CT   _C29    70     1.59150   115.50295  -139.81253
   61    57 S   CT   _C12    58     1.54261   103.93019  -165.04276
   62    61 S   HC   _H15    59     1.09525   108.61865   132.49953
   63    61 S   HC   _H16    60     1.09622   109.84476  -110.23241
   64    60 S   CT   _C30    71     1.55437   107.78325   161.86505
   65    64 S   HC   _H37    72     1.09440   111.88354   -48.77570
   66    64 S   HC   _H38    73     1.09527   111.87813  -170.20656
   67    64 S   HC   _H39    74     1.09712   111.99092    69.83562
   68    61 S   CT   _C13    61     1.55544   106.67998    10.45481
   69    53 S   CT   _C5_    62     1.54912   114.36980  -179.65622
   70    68 S   CO4  _C14    81     1.53647   113.34533   145.51677
   71    70 S   O    _O33    82     1.23282   121.58821    -0.36423
   72    68 S   OH   _O36   105     1.42760   107.92795   -97.08953
   73    72 S   HO   _H30   106     0.97482   109.00055   -63.75187
   74    69 S   CT   _C6_    63     1.54667   107.29122   -59.36120
   75    74 S   HC   _H11    64     1.09632   110.13466   -66.82034
   76    74 S   HC   _H12    65     1.09505   109.87363   175.88439
   77    69 S   CT   _C4_    77     1.55173   112.92008    63.27428
   78    77 S   HC   _H8_    78     1.09501   112.53281    70.73630
   79    77 S   HC   _H9_    79     1.09171   113.05946   -49.47335
   80    77 S   HC   _H10    80     1.09520   110.84567  -169.85284
   81    70 S   CT   _C15    83     1.51867   117.54329   179.41617
   82    81 S   HC   _H17    84     1.09368   108.51017    84.72020
   83    81 S   HC   _H18    85     1.09252   109.92995   -36.78771
   84    74 S   CT   _C7_    66     1.54166   113.39983    53.60149
   85    84 S   HC   _H3_    67     1.09428   107.74292  -173.42496
   86    81 S   OS   _O34    86     1.42814   108.51420  -156.07375
   87    84 S   OH   _O38    75     1.42147   109.02774    71.51487
   88    87 S   HO   _H40    76     0.97231   107.76987    58.77016
   89    86 S   CO4  _C16    87     1.36274   115.16395  -176.27543
   90    89 S   O    _O35    88     1.22428   125.99283     1.45158
   91    89 S   CT   _C17    89     1.51150   110.05414  -179.34091
   92    91 S   HC   _H19    90     1.09815   108.32199    31.38891
   93    91 S   HC   _H20    91     1.09800   106.91285   144.37280
   94    91 S   CT   _C18    92     1.54424   114.52724   -92.71978
   95    94 S   CT   _C19    93     1.54080   108.12496  -179.87180
   96    95 S   HC   _H21    94     1.09591   111.16954    59.89487
   97    95 S   HC   _H22    95     1.09591   111.16786   -60.15062
   98    95 S   HC   _H23    96     1.09594   111.29223   179.87489
   99    94 S   CT   _C20    97     1.53776   111.22571    61.08977
  100    99 S   HC   _H24    98     1.09521   111.68821   -65.78966
  101    99 S   HC   _H25    99     1.09572   111.14541    54.81792
  102    99 S   HC   _H26   100     1.09610   111.06305   174.63254
  103    94 S   CT   _C21   101     1.53779   111.08670   -60.92967
  104   103 S   HC   _H27   102     1.09508   111.69634    65.61602
  105   103 S   HC   _H28   103     1.09571   111.14600   -54.96775
  106   103 S   HC   _H29   104     1.09611   111.06022  -174.77768
  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   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  22   9  15   6  11   6   5   8  11   5   4   4
   2   1   1  17  15  10   5   4   1  10   5   4   4   2   1   1
   6   3   2   3   2   6   1   1   8   4  15   5   4  12  11   4
   3   2   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    84    55    56    60    64    65    66    67  
   38    39    40    44    55    60    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    64  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    64  
   44    45    60  
   45    46    47    48    49    50    51    84    55    56    60    64    65    66    67  
   46    47    48    49    50    51    52    53    55    60    64  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    69    84    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    68    69    74    84    85    55    56    60    64    87    77  
   53    54    57    69    84    55    56    60  
   54    57    58    59    61    62    63    68    69    74    75    76    84    55    56    60    77    78    79    80    70    72  
   57    58    59    61    68    69    74    55    77  
   56    60    64    65    66    67    87    88    57    69    74    75    76    84    85  
   60    64    87    74    84    85  
   58    59    61    62    63    68    69    74    77    70    72  
   59    61    62    63    68    69  
   61    62    63    68    69  
   64    65    66    67    87    74    84    85  
   62    63    68    69    74    77    70    71    81    72    73  
   63    68    69    70    72  
   68    69    70    72  
   65    66    67    84  
   66    67  
   67  
    0  
   69    74    75    76    84    77    78    79    80    70    71    81    82    83    86    72    73  
   74    75    76    84    85    87    77    78    79    80    70    71    81    72    73  
   71    81    82    83    86    89    72    73    74    77  
   81    82    83    86    72  
   73    74    77    81  
    0  
   75    76    84    85    87    88    77    78    79    80  
   76    84    85    87    77  
   84    85    87    77  
   78    79    80    84  
   79    80  
   80  
    0  
   82    83    86    89    90    91  
   83    86    89  
   86    89  
   85    87    88  
   87    88  
   89    90    91    92    93    94  
   88  
    0  
   90    91    92    93    94    95    99   103  
   91    92    93    94  
   92    93    94    95    96    97    98    99   100   101   102   103   104   105   106  
   93    94    95    99   103  
   94    95    99   103  
   95    96    97    98    99   100   101   102   103   104   105   106  
   96    97    98    99   100   101   102   103   104   105   106  
   97    98    99   103  
   98    99   103  
   99   103  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103  
  103  
  104   105   106  
  105   106  
  106  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    69   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   268.000  1.529
   68    70   317.000  1.522
   68    72   320.000  1.410
   69    74   268.000  1.529
   69    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    84   268.000  1.529
   84    85   340.000  1.090
   84    55   268.000  1.529
   84    87   320.000  1.410
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   87    88   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   70    71   570.000  1.229
   70    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   320.000  1.410
   86    89   214.000  1.327
   89    90   570.000  1.229
   89    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   268.000  1.529
   94    99   268.000  1.529
   94   103   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   72    73   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    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  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    64    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    64    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    69    58.35000  112.70000
   51    55    84    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    69    68    58.35000  112.70000
   53    69    74    58.35000  112.70000
   53    69    77    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    68    69    58.35000  112.70000
   61    68    70    63.00000  111.10000
   61    68    72    50.00000  109.50000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    69    74    58.35000  112.70000
   68    69    77    58.35000  112.70000
   68    70    71    80.00000  120.40000
   68    70    81    70.00000  116.00000
   68    72    73    55.00000  108.50000
   69    53    54    37.50000  110.70000
   69    53    57    58.35000  112.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    84    58.35000  112.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   74    84    85    37.50000  110.70000
   74    84    55    58.35000  112.70000
   74    84    87    50.00000  109.50000
   76    74    75    33.00000  107.80000
   84    74    75    37.50000  110.70000
   84    74    76    37.50000  110.70000
   84    55    56    37.50000  110.70000
   84    55    60    58.35000  112.70000
   84    87    88    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    84    85    37.50000  110.70000
   55    60    64    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    55    50.00000  109.50000
   77    69    74    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   70    68    69    63.00000  111.10000
   70    81    82    35.00000  109.50000
   70    81    83    35.00000  109.50000
   70    81    86    90.00000  108.74100
   81    70    71    80.00000  120.40000
   81    86    89    83.00000  116.90000
   83    81    82    33.00000  107.80000
   86    81    82    35.00000  109.50000
   86    81    83    35.00000  109.50000
   86    89    90    83.00000  123.40000
   86    89    91    81.00000  111.40000
   89    91    92    35.00000  109.50000
   89    91    93    35.00000  109.50000
   89    91    94    63.00000  111.10000
   91    89    90    80.00000  120.40000
   91    94    95    58.35000  112.70000
   91    94    99    58.35000  112.70000
   91    94   103    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    95    96    37.50000  110.70000
   94    95    97    37.50000  110.70000
   94    95    98    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    37.50000  110.70000
   94   103   104    37.50000  110.70000
   94   103   105    37.50000  110.70000
   94   103   106    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    94    95    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    94    95    58.35000  112.70000
  103    94    99    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   72    68    69    50.00000  109.50000
   72    68    70    90.00000  109.61100
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
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   70    81    86    89   0.03650  1.0 3.0
   71    70    81    82   0.00000  1.0 1.0
   71    70    81    83   0.00000  1.0 1.0
   71    70    81    86   0.30150 -1.0 2.0
   81    86    89    90   3.00000 -1.0 2.0
   81    86    89    91   1.63150  1.0 1.0
   81    86    89    91   2.92000 -1.0 2.0
   82    81    86    89   0.08050  1.0 3.0
   83    81    86    89   0.08050  1.0 3.0
   86    89    91    92   0.00000  1.0 1.0
   86    89    91    93   0.00000  1.0 1.0
   86    89    91    94   0.36750  1.0 3.0
   89    91    94    95  -0.95700  1.0 1.0
   89    91    94    95  -0.18200 -1.0 2.0
   89    91    94    95   0.29450  1.0 3.0
   89    91    94    99  -0.95700  1.0 1.0
   89    91    94    99  -0.18200 -1.0 2.0
   89    91    94    99   0.29450  1.0 3.0
   89    91    94   103  -0.95700  1.0 1.0
   89    91    94   103  -0.18200 -1.0 2.0
   89    91    94   103   0.29450  1.0 3.0
   90    89    91    92   0.00000  1.0 1.0
   90    89    91    93   0.00000  1.0 1.0
   90    89    91    94   0.30150 -1.0 2.0
   91    94    95    96   0.15000  1.0 3.0
   91    94    95    97   0.15000  1.0 3.0
   91    94    95    98   0.15000  1.0 3.0
   91    94    99   100   0.15000  1.0 3.0
   91    94    99   101   0.15000  1.0 3.0
   91    94    99   102   0.15000  1.0 3.0
   91    94   103   104   0.15000  1.0 3.0
   91    94   103   105   0.15000  1.0 3.0
   91    94   103   106   0.15000  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    99   0.15000  1.0 3.0
   92    91    94   103   0.15000  1.0 3.0
   93    91    94    95   0.15000  1.0 3.0
   93    91    94    99   0.15000  1.0 3.0
   93    91    94   103   0.15000  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.15000  1.0 3.0
   95    94   103   104   0.15000  1.0 3.0
   95    94   103   105   0.15000  1.0 3.0
   95    94   103   106   0.15000  1.0 3.0
   99    94    95    96   0.15000  1.0 3.0
   99    94    95    97   0.15000  1.0 3.0
   99    94    95    98   0.15000  1.0 3.0
   99    94   103   104   0.15000  1.0 3.0
   99    94   103   105   0.15000  1.0 3.0
   99    94   103   106   0.15000  1.0 3.0
  103    94    95    96   0.15000  1.0 3.0
  103    94    95    97   0.15000  1.0 3.0
  103    94    95    98   0.15000  1.0 3.0
  103    94    99   100   0.15000  1.0 3.0
  103    94    99   101   0.15000  1.0 3.0
  103    94    99   102   0.15000  1.0 3.0
   72    68    69    53   0.86500  1.0 1.0
   72    68    69    53  -0.17500 -1.0 2.0
   72    68    69    53   0.20800  1.0 3.0
   72    68    69    74   0.86500  1.0 1.0
   72    68    69    74  -0.17500 -1.0 2.0
   72    68    69    74   0.20800  1.0 3.0
   72    68    69    77   0.86500  1.0 1.0
   72    68    69    77  -0.17500 -1.0 2.0
   72    68    69    77   0.20800  1.0 3.0
   72    68    70    71   0.30150 -1.0 2.0
   72    68    70    81   0.55300  1.0 1.0
   72    68    70    81   1.25850 -1.0 2.0
   72    68    70    81  -0.23600  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   68    81    70    71  10.50000 -1.0 2.0
   86    91    89    90  10.50000 -1.0 2.0
END
