* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    204    342     624
    1     0 S   NP   _N1_     1    29.50902    97.39186   -17.49693
    2     1 S   H    _HN1     2     1.02951    87.56835    28.77283
    3     1 S   H    _H1_     3     1.02847    56.87768   141.15928
    4     1 S   H    _H2_     4     1.02787    64.28514   -82.81346
    5     1 S   CT   _CA1     5     1.50119   161.22888  -166.03515
    6     5 S   HC   _HA1     6     1.09592   105.22586    14.12692
    7     5 S   CO3  _C1_     7     1.53792   111.91305  -105.79284
    8     7 S   O2Z  _O11     8     1.26323   115.14795   -56.48662
    9     7 S   O2Z  _O12     9     1.26218   114.77961   122.33821
   10     5 S   CT   _CB1    10     1.53066   107.35799   131.59168
   11    10 S   HC   HB11    11     1.09827   109.26674   -52.05475
   12    10 S   HC   HB12    12     1.09819   110.51846    64.41171
   13    10 S   CT   _CG1    13     1.53036   112.67642  -173.18102
   14    13 S   HC   HG11    14     1.09469   110.35116   -61.55934
   15    13 S   HC   HG12    15     1.09628   110.15241    57.59415
   16    13 S   C    _CD1    16     1.51800   111.98561   177.67274
   17    16 S   O    _OE1    17     1.22772   123.03219   -10.11795
   18    16 S   N    _N2_    18     1.38667   112.00253   170.70771
   19    18 S   H    _HN2    19     1.01579   119.20828     0.34662
   20    18 S   CT1  _CA2    20     1.46239   123.00206   179.74821
   21    20 S   HC   _HA2    21     1.09741   109.23616   -11.20328
   22    20 S   C    _C2_    22     1.53432   108.46960  -126.79405
   23    22 S   O    _O2_    23     1.23021   122.16054  -146.48213
   24    20 S   CT   _CB2    32     1.53569   112.00378   110.69023
   25    24 S   HC   HB21    33     1.09398   109.79183    61.30746
   26    24 S   HC   HB22    34     1.09497   109.42986   179.26511
   27    22 S   N    _N3_    24     1.38484   113.43124    40.82720
   28    27 S   H    _HN3    25     1.01524   118.91724    -0.62244
   29    24 S   S    _SG2    35     1.83251   111.54810   -61.75392
   30    27 S   CT   _CA3    26     1.45462   123.53390   175.15657
   31    30 S   HC   HA31    27     1.09516   109.34105    22.13357
   32    30 S   HC   HA32    28     1.09498   107.08744   139.16013
   33    29 S   CT   _C13    36     1.93630   102.14992   157.44842
   34    30 S   CO3  _C3_    29     1.52925   113.07677  -101.41657
   35    34 S   O2Z  _O31    30     1.26407   115.39660   -44.13557
   36    34 S   O2Z  _O32    31     1.26354   114.98480   136.79590
   37    33 S   CT   _C12    37     1.56977   104.70936   -70.40555
   38    37 S   HC   _H6_    38     1.09233   106.40231    17.49541
   39    33 S   CT   _C14    81     1.54797   105.80817    60.52791
   40    39 S   HC   _H7_    82     1.09227   113.78589   -46.92409
   41    37 S   CT   _C15    39     1.52985   117.06506   132.11199
   42    41 S   HC   _H17    40     1.09492   111.14125    69.33226
   43    41 S   HC   _H18    41     1.09589   110.28407   -50.01466
   44    37 S   CT   _C11    58     1.56499   114.11822   -98.05113
   45    44 S   HC   _H5_    59     1.09315   108.28582   -79.54253
   46    39 S   OH   _O35    83     1.42457   111.53845  -166.24911
   47    46 S   HO   _H16    84     0.97172   107.64794  -175.62019
   48    41 S   CT   _C16    42     1.53207   110.23785  -168.90200
   49    48 S   HC   _H19    43     1.09592   108.43174    66.66827
   50    48 S   HC   _H20    44     1.09773   107.61326  -178.39917
   51    44 S   CT   _C10    60     1.54056   110.85965    35.43729
   52    51 S   HC   _H14    61     1.09475   111.06460  -179.12330
   53    51 S   HC   _H15    62     1.09625   109.58347    64.57643
   54    48 S   CT   _C17    45     1.54640   113.42693   -56.78141
   55    51 S   CT   _C9_    63     1.54610   113.87422   -57.87342
   56    55 S   HC   _H12    64     1.09716   107.74865   143.33783
   57    55 S   HC   _H13    65     1.09749   108.68237  -104.00079
   58    54 S   CT   _C22    46     1.54332   109.69213   178.18749
   59    58 S   HC   _H25    47     1.09811   110.43067   162.21514
   60    58 S   HC   _H26    48     1.09896   110.09307    49.04401
   61    33 S   CT   _C8_    66     1.57994   110.12216   168.99053
   62    54 S   OH   _O37   102     1.43767   106.59937   -66.29655
   63    62 S   HO   _H31   103     0.97237   108.14089   -60.02285
   64    58 S   CT   _C21    49     1.52639   113.54010   -73.99857
   65    64 S   HC   _H8_    50     1.09545   110.37755    69.12889
   66    61 S   CT   _C7_    67     1.57546   102.34412   -65.30989
   67    66 S   HC   _H4_    68     1.10051   106.48895    74.47871
   68    61 S   CT   _C24    92     1.56448   114.19888   179.39413
   69    68 S   HC   _H32    93     1.09409   112.56657    78.73854
   70    68 S   HC   _H33    94     1.08788   114.36156   -41.06502
   71    68 S   HC   _H34    95     1.09620   111.16776  -162.62165
   72    64 S   CT   _C20    51     1.52400   111.87563   -52.92502
   73    72 S   HC   _H23    52     1.09683   110.18653   -70.21094
   74    72 S   HC   _H24    53     1.09700   109.11638   174.96651
   75    66 S   CM   _C25    69     1.52254   117.08833  -170.28819
   76    66 S   CT   _C6_    79     1.57745   103.85599   -33.84386
   77    76 S   HC   _H3_    80     1.09938   106.04474   125.43407
   78    64 S   OH   _O36   100     1.42502   109.43688  -173.20381
   79    78 S   HO   _H27   101     0.97230   107.59718   -58.36011
   80    72 S   CT   _C19    54     1.52862   112.11828    53.46398
   81    80 S   HC   _H21    55     1.09392   107.27921    68.37850
   82    80 S   HC   _H22    56     1.09614   108.49346  -177.45709
   83    75 S   CM   _C26    70     1.44883   117.00469   -88.61607
   84    83 S   HC   _H35    71     1.08540   118.98071     0.47601
   85    76 S   OS   _O34    85     1.43104   114.39386  -115.00571
   86    54 S   CT   _C18    57     1.57687   112.76707    52.64200
   87    83 S   CM   _C27    72     1.33625   121.70673  -179.59410
   88    87 S   HC   _H36    73     1.08350   121.54200  -179.95154
   89    85 S   CO4  _C5_    86     1.36335   117.03484  -156.61394
   90    89 S   O    _O33    87     1.22290   126.35450    -2.13881
   91    87 S   CO4  _C28    74     1.47386   120.60413     0.09891
   92    91 S   O    _O38    75     1.22639   120.68335   179.98022
   93    89 S   CT   _C4_    88     1.49822   109.44979   178.49624
   94    93 S   HC   _H9_    89     1.09299   109.83739   -59.34750
   95    93 S   HC   _H10    90     1.09374   109.36966  -178.31228
   96    93 S   HC   _H11    91     1.09285   109.78296    62.52037
   97    86 S   CT   _C23    96     1.55784   109.73554  -167.63164
   98    97 S   HC   _H28    97     1.09566   111.51608    69.84162
   99    97 S   HC   _H29    98     1.09337   112.59344   -50.52599
  100    97 S   HC   _H30    99     1.09515   111.49096  -169.92095
  101    91 S   OS   _O39    76     1.36728   117.01248    -0.01978
  102    75 S   CM   _C29    77     1.33987   126.84814    92.11085
  103   102 S   HC   _H37    78     1.07941   126.70980    -1.87805
  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
  28   2   1   1  24  10  15   7  13   6   5  21   8   6   1  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    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    55    61    66    76    39    40    46    68  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    86    44    45    51    55    56    57    61    66    67    75    76    77    39    40    46    47    85    68    69    70    71  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    80    86    44    45    51    52    53    55    61    66    76    39    40    46    68    97  
   41    42    43    48    86    44    45    51    61    39  
   40    46    47    85    89    68    41    44    55    61    66    67    75    76    77  
   46    47    85    61    66    76    77  
   42    43    48    49    50    54    58    86    44    45    51    61    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    57    61    97    98    99   100    62    48    54    58    72    80    81    82    86  
   51    52    53    55    97    54    80    86  
   47    85    61    66    76    77  
   76  
   49    50    54    58    59    60    64    80    86    97    62    63  
   50    54    58    86    62  
   54    58    86    62  
   52    53    55    56    57    61    66    68    97    54    80    86  
   53    55    56    57    61    86  
   55    56    57    61    86  
   58    59    60    64    65    72    80    81    82    86    97    98    99   100    78    62    63  
   56    57    61    66    67    75    76    68    69    70    71    86  
   57    61    66    68  
   61    66    68  
   59    60    64    65    72    73    74    80    86    97    78    79    62    63  
   60    64    65    72    86    78    62  
   64    65    72    86    78    62  
   66    67    75    83   102    76    77    85    68    69    70    71  
   63    64    80    86    97  
   86  
   65    72    73    74    80    81    82    86    78    79  
   72    73    74    80    78    79  
   67    75    83    84    87   101   102   103    76    77    85    89    68    69    70    71  
   75    83   102    76    77    85    68  
   69    70    71    75    76  
   70    71  
   71  
    0  
   73    74    80    81    82    86    97    78    79  
   74    80    81    82    86    78  
   80    81    82    86    78  
   83    84    87    88    91   101   102   103    76    77    85  
   77    85    89    90    93    83   102  
   85    89  
   79    80  
    0  
   81    82    86    97    98    99   100  
   82    86    97  
   86    97  
   84    87    88    91    92   101   102   103  
   87    88    91   102  
   89    90    93    94    95    96  
   97    98    99   100  
   88    91    92   101   102  
   91    92   101  
   90    93    94    95    96  
   93    94    95    96  
   92   101   102   103  
  101   102  
   94    95    96  
   95    96  
   96  
    0  
   98    99   100  
   99   100  
  100  
    0  
  102   103  
  103  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
  102   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
  103   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    61   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    58   268.000  1.529
   54    86   268.000  1.529
   54    62   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    72   268.000  1.529
   64    78   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    44   268.000  1.529
   86    97   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    66   268.000  1.529
   61    68   268.000  1.529
   66    67   340.000  1.090
   66    75   317.000  1.510
   66    76   268.000  1.529
   75    83   380.000  1.444
   75   102   549.000  1.340
   83    84   340.000  1.080
   83    87   549.000  1.340
   87    88   340.000  1.080
   87    91   320.000  1.462
   91    92   570.000  1.229
   91   101   214.000  1.327
  101   102   440.000  1.360
  102   103   340.000  1.080
   76    77   340.000  1.090
   76    39   268.000  1.529
   76    85   320.000  1.410
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   85    89   214.000  1.327
   89    90   570.000  1.229
   89    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   78    79   553.000  0.945
   62    63   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    61    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    61    55    58.35000  112.70000
   33    61    66    58.35000  112.70000
   33    61    68    58.35000  112.70000
   33    39    76    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    86    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    58.35000  112.70000
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    86    58.35000  112.70000
   48    54    62    50.00000  109.50000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    64    58.35000  112.70000
   54    86    80    58.35000  112.70000
   54    86    44    58.35000  112.70000
   54    86    97    58.35000  112.70000
   54    62    63    55.00000  108.50000
   58    64    65    37.50000  110.70000
   58    64    72    58.35000  112.70000
   58    64    78    50.00000  109.50000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    80    58.35000  112.70000
   64    78    79    55.00000  108.50000
   72    64    65    37.50000  110.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    86    58.35000  112.70000
   74    72    73    33.00000  107.80000
   80    72    73    37.50000  110.70000
   80    72    74    37.50000  110.70000
   80    86    44    58.35000  112.70000
   80    86    97    58.35000  112.70000
   82    80    81    33.00000  107.80000
   86    54    58    58.35000  112.70000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   86    44    45    37.50000  110.70000
   86    44    51    58.35000  112.70000
   86    97    98    37.50000  110.70000
   86    97    99    37.50000  110.70000
   86    97   100    37.50000  110.70000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    61    66    58.35000  112.70000
   55    61    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    33    37    58.35000  112.70000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    75    70.00000  112.02700
   61    66    76    58.35000  112.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   66    75    83    70.00000  124.00000
   66    75   102    70.00000  124.00000
   66    76    77    37.50000  110.70000
   66    76    39    58.35000  112.70000
   66    76    85    50.00000  109.50000
   75    66    67    35.00000  109.50000
   75    83    84    35.00000  120.00000
   75    83    87    70.00000  123.01800
   75   102   101    80.00000  120.01400
   75   102   103    35.00000  120.00000
   83    87    88    35.00000  120.00000
   83    87    91    65.00000  118.96000
   87    83    84    35.00000  120.00000
   87    91    92    80.00000  123.72100
   87    91   101    90.00000  111.29400
   91    87    88    40.00000  117.72500
   91   101   102    90.00000  114.22900
  101    91    92    83.00000  123.40000
  101   102   103    55.00000  109.52600
  102    75    83    70.00000  123.01800
   76    66    67    37.50000  110.70000
   76    66    75    70.00000  112.02700
   76    39    40    37.50000  110.70000
   76    39    46    50.00000  109.50000
   76    85    89    83.00000  116.90000
   39    33    37    58.35000  112.70000
   39    33    61    58.35000  112.70000
   39    76    77    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   85    76    77    35.00000  109.50000
   85    76    39    50.00000  109.50000
   85    89    90    83.00000  123.40000
   85    89    93    81.00000  111.40000
   89    93    94    35.00000  109.50000
   89    93    95    35.00000  109.50000
   89    93    96    35.00000  109.50000
   93    89    90    80.00000  120.40000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   68    61    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   97    86    44    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   78    64    65    35.00000  109.50000
   78    64    72    50.00000  109.50000
   62    54    58    50.00000  109.50000
   62    54    86    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
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   83    87   -91   101  -0.56150  1.0 1.0
   83    87   -91   101   2.19150 -1.0 2.0
   84    83    87    88   7.00000 -1.0 2.0
   84    83    87    91   7.00000 -1.0 2.0
   87    91   101   102   2.00000 -1.0 2.0
   88    87    91    92   0.00000  1.0 1.0
   88    87    91   101   1.63100 -1.0 2.0
   91   101  -102    75  -1.93650  1.0 1.0
   91   101  -102    75   2.17750 -1.0 2.0
   91   101  -102    75  -0.40250  1.0 3.0
   91   101   102   103   0.50000 -1.0 2.0
   92    91   101   102   3.00000 -1.0 2.0
  102    75    83    84  -0.18600  1.0 3.0
  102    75   -83    87   0.28850  1.0 1.0
  102    75   -83    87   2.61350 -1.0 2.0
  102    75   -83    87   0.78400  1.0 3.0
   76    66    75    83   0.98200  1.0 1.0
   76    66    75    83  -0.11900 -1.0 2.0
   76    66    75    83   0.24250  1.0 3.0
   76    66    75   102   0.09850  1.0 1.0
   76    66    75   102   0.15250 -1.0 2.0
   76    66    75   102  -0.50650  1.0 3.0
   76    39    46    47  -0.11600  1.0 1.0
   76    39    46    47  -0.09450 -1.0 2.0
   76    39    46    47   0.21250  1.0 3.0
   76    85    89    90   3.00000 -1.0 2.0
   76    85    89    93   1.63150  1.0 1.0
   76    85    89    93   2.92000 -1.0 2.0
   77    76    39    33   0.15000  1.0 3.0
   77    76    39    40   0.15000  1.0 3.0
   77    76    39    46   0.23400  1.0 3.0
   77    76    85    89   0.08050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.56750  1.0 1.0
   39    33    37    41  -0.07550 -1.0 2.0
   39    33    37    41   0.20000  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    61    55   0.56750  1.0 1.0
   39    33    61    55  -0.07550 -1.0 2.0
   39    33    61    55   0.20000  1.0 3.0
   39    33   -61    66   0.56750  1.0 1.0
   39    33   -61    66  -0.07550 -1.0 2.0
   39    33   -61    66   0.20000  1.0 3.0
   39    33    61    68   0.56750  1.0 1.0
   39    33    61    68  -0.07550 -1.0 2.0
   39    33    61    68   0.20000  1.0 3.0
   39    76    85    89  -0.25900  1.0 1.0
   39    76    85    89  -0.47000 -1.0 2.0
   39    76    85    89   0.11750  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   85    76    39    33   0.62750  1.0 1.0
   85    76    39    33  -0.30950 -1.0 2.0
   85    76    39    33   0.27300  1.0 3.0
   85    76    39    40   0.23400  1.0 3.0
   85    76    39    46   3.69350  1.0 1.0
   85    76    39    46  -1.82950 -1.0 2.0
   85    89    93    94   0.00000  1.0 1.0
   85    89    93    95   0.00000  1.0 1.0
   85    89    93    96   0.00000  1.0 1.0
   90    89    93    94   0.00000  1.0 1.0
   90    89    93    95   0.00000  1.0 1.0
   90    89    93    96   0.00000  1.0 1.0
   68    61    66    67   0.15000  1.0 3.0
   68    61    66    75   0.34400  1.0 1.0
   68    61    66    75   0.09450 -1.0 2.0
   68    61    66    75   0.11100  1.0 3.0
   68    61    66    76   0.56750  1.0 1.0
   68    61    66    76  -0.07550 -1.0 2.0
   68    61    66    76   0.20000  1.0 3.0
   97    86    44    37   0.56750  1.0 1.0
   97    86    44    37  -0.07550 -1.0 2.0
   97    86    44    37   0.20000  1.0 3.0
   97    86    44    45   0.15000  1.0 3.0
   97    86    44    51   0.56750  1.0 1.0
   97    86    44    51  -0.07550 -1.0 2.0
   97    86    44    51   0.20000  1.0 3.0
   78    64    72    73   0.23400  1.0 3.0
   78    64    72    74   0.23400  1.0 3.0
   78    64    72    80   0.86500  1.0 1.0
   78    64    72    80  -0.17500 -1.0 2.0
   78    64    72    80   0.20800  1.0 3.0
   62    54    58    59   0.23400  1.0 3.0
   62    54    58    60   0.23400  1.0 3.0
   62    54    58    64   0.86500  1.0 1.0
   62    54    58    64  -0.17500 -1.0 2.0
   62    54    58    64   0.20800  1.0 3.0
   62    54    86    80   0.86500  1.0 1.0
   62    54    86    80  -0.17500 -1.0 2.0
   62    54    86    80   0.20800  1.0 3.0
   62    54    86    44   0.86500  1.0 1.0
   62    54    86    44  -0.17500 -1.0 2.0
   62    54    86    44   0.20800  1.0 3.0
   62    54    86    97   0.86500  1.0 1.0
   62    54    86    97  -0.17500 -1.0 2.0
   62    54    86    97   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
   66    83    75   102   1.10000 -1.0 2.0
   75    84    83    87   1.10000 -1.0 2.0
   91    88    87    83   1.10000 -1.0 2.0
   87   101    91    92  10.50000 -1.0 2.0
  101   103   102    75   1.10000 -1.0 2.0
   85    93    89    90  10.50000 -1.0 2.0
END
