* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    202    335     612
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   106.36012   -21.76634
    3     1 S   H    _H1_     3     1.02078    60.57396    80.81598
    4     1 S   H    _H2_     4     1.02093    51.63663  -122.97933
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.88130    96.00602  -158.10714
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C19    37     1.64086   110.04869  -160.01232
   38    33 S   CT   _C21    75     1.63355   108.34939    75.40959
   39    33 S   CT   _C29    96     1.55335   103.00601   -42.43950
   40    39 S   HC   _H66    97     1.08241   109.52919    62.57063
   41    37 S   CO4  _C8_    38     1.57322   112.66827    35.53166
   42    41 S   O    _O27    39     1.23566   121.38745    41.31149
   43    38 S   CT   _C25    76     1.56161   115.95244    24.53360
   44    43 S   HC   _H56    77     1.07787   108.16053   -56.56212
   45    43 S   HC   _H57    78     1.07768   108.18246  -176.64281
   46    43 S   HC   _H58    79     1.07907   108.13432    63.38299
   47    38 S   CT   _C28    80     1.55529   112.65332   -95.02972
   48    47 S   HC   _H65    81     1.08730   107.33696   -30.96447
   49    37 S   CT   _C24    92     1.55602   111.84621   148.94556
   50    49 S   HC   _H53    93     1.08093   108.60739    59.73668
   51    49 S   HC   _H54    94     1.08063   108.59979   -60.26484
   52    49 S   HC   _H55    95     1.08070   108.61276   179.77100
   53    39 S   C    _C10    98     1.50129   110.01763  -174.83688
   54    53 S   O    _O29    99     1.22439   124.31273   -31.54452
   55    39 S   OH   _O37   102     1.40876   106.63350   -55.87250
   56    55 S   HO   _H69   103     0.97511   107.43979  -179.15860
   57    41 S   CT   _C11    40     1.52238   120.25066  -146.86734
   58    57 S   HC   _H40    41     1.10180   107.85445   155.48237
   59    57 S   HC   _H41    42     1.09881   109.40770   -89.05416
   60    47 S   C5BC _C7_    82     1.49831   111.43402  -154.45364
   61    47 S   OH   _O36    90     1.41754   107.58648    85.50203
   62    61 S   HO   _H68    91     0.97227   107.01081  -178.70487
   63    53 S   OH   _O35   100     1.35820   112.67474   146.11213
   64    63 S   HO   _H67   101     0.98114   115.12313  -177.80679
   65    57 S   CT   _C16    43     1.50910   110.30783    36.16444
   66    65 S   HC   _H50    44     1.09738   104.77922    56.67056
   67    60 S   C5BC _C4_    83     1.41576   127.01534   -89.47319
   68    67 S   HA   _H37    84     1.08092   127.79367     0.05935
   69    65 S   CT   _C20    45     1.53659   113.22845   -59.20931
   70    65 S   CT   _C23    58     1.52578   120.85982   174.14168
   71    67 S   C5A  _C5_    85     1.37530   106.12156  -180.00000
   72    71 S   HA   _H38    86     1.08016   133.85201   180.00000
   73    69 S   CT   _C15    46     1.55075   116.75763   -56.55698
   74    73 S   HC   _H48    47     1.08977   111.76594    28.45294
   75    73 S   HC   _H49    48     1.09287   111.60949   147.91727
   76    70 S   CT   _C26    59     1.52798   115.51726    36.16855
   77    76 S   HC   _H59    60     1.08839   109.85068  -180.00000
   78    76 S   HC   _H60    61     1.08900   109.76684    60.01548
   79    76 S   HC   _H61    62     1.08902   109.79356   -59.96385
   80    70 S   CT   _C27    63     1.53489   111.45120   -88.07713
   81    80 S   HC   _H62    64     1.08629   109.43785  -179.96574
   82    80 S   HC   _H63    65     1.08636   109.45182    60.02755
   83    80 S   HC   _H64    66     1.08635   109.43762   -59.99789
   84    37 S   CT   _C17    67     1.57395   107.12947   -88.27980
   85    84 S   HC   _H51    68     1.10928   106.21467    47.26984
   86    71 S   OA   _O30    87     1.35942   110.54918     0.01978
   87    73 S   OS   _O33    49     1.44509   115.84642   -91.76291
   88    84 S   CT   _C13    69     1.53977   112.61156   -64.12061
   89    88 S   HC   _H44    70     1.10648   111.79009   -92.19703
   90    88 S   HC   _H45    71     1.10538   109.55291   152.38218
   91    60 S   C5A  _C6_    88     1.37547   126.85276    90.58964
   92    91 S   HA   _H39    89     1.08098   133.91943    -0.08393
   93    87 S   CO4  _C9_    50     1.35409   120.10662   -49.44603
   94    93 S   O    _O28    51     1.22605   122.35910  -159.14951
   95    88 S   CT   _C14    72     1.52873   114.12409    33.18544
   96    95 S   HC   _H46    73     1.09662   108.15492   152.85060
   97    95 S   HC   _H47    74     1.09760   108.28884   -93.36665
   98    93 S   CT   _C12    52     1.50246   115.08006    21.56860
   99    98 S   HC   _H42    53     1.09805   106.97923   150.19367
  100    98 S   HC   _H43    54     1.09267   108.73768   -92.84087
  101    69 S   CT   _C18    55     1.53361    98.13883  -172.27778
  102   101 S   HC   _H52    56     1.09892   111.30773   -79.93725
  103   101 S   OS   _O34    57     1.45460   106.38036    36.37509
  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
  31   2   1   1  26  24  13   5  15   6  11   4   3   2  14   6
   8   3   2   1   5   3   2   1  12   5   4  10   4   1   1   1
  22   8   6   4  20  14   4   2  12   5   4   9   4   3   2   5
   3   2   1  12   5   2   6   6   4   3   1   1   7   4   2   1
   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    84    95    38    43    47    49    39    40    53    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    57    69    84    85    88    95    96    97    38    43    44    45    46    47    48    60    61    49    50    51    52    39    40    53    54    63    55    56  
   35    36  
   36  
    0  
   41    42    57    58    59    65    69    73   101    84    85    88    89    90    95    38    43    47    49    50    51    52    39    40    53    55  
   43    44    45    46    47    48    60    67    91    61    62    49    39    40    53    55    41    84    88    89    90    95    96    97  
   40    53    54    63    64    55    56    41    43    47    49    84    95  
   53    54    63    55    56  
   42    57    58    59    65    66    69    70    84    85    88    49    50    51    52  
   57    58    59    65    84    49  
   44    45    46    47    48    60    61    88    95    96    97  
   45    46    47    95  
   46    47    95  
   47    95  
   48    60    67    68    71    86    91    92    61    62    88    95    96    97  
   60    67    91    61    62    95  
   50    51    52    57    69    84    85    88  
   51    52    84  
   52    84  
   84  
   54    63    64    55    56  
   63    64    55  
   56    63  
    0  
   58    59    65    66    69    73   101   103    70    76    80    84  
   59    65    66    69    70  
   65    66    69    70  
   67    68    71    72    86    91    92    61    62    95  
   62    67    91    95  
    0  
   64  
    0  
   66    69    73    74    75    87    98   101   102   103    70    76    77    78    79    80    81    82    83    84    85    88  
   69    73   101   103    70    76    80    84  
   68    71    72    86    91    92  
   71    72    86    91  
   73    74    75    87    93    98    99   100   101   102   103    70    76    80    84    85    88    89    90    95  
   76    77    78    79    80    81    82    83    84    73    98   101   102   103  
   72    86    91    92  
   86    91  
   74    75    87    93    94    98   101   102   103    84    85    88  
   75    87    93   101    84  
   87    93   101    84  
   77    78    79    80    81    82    83   101   103  
   78    79    80   103  
   79    80   103  
   80   103  
   81    82    83   101   103  
   82    83   103  
   83   103  
  103  
   85    88    89    90    95    96    97    87    98   101   102   103  
   88    89    90    95   101  
   91    92  
   93    94    98    99   100   101  
   89    90    95    96    97   101  
   90    95    96    97  
   95    96    97  
   92  
    0  
   94    98    99   100   101   102   103  
   98    99   100   101  
   96    97  
   97  
    0  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103  
  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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
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    38   268.000  1.529
   33    39   268.000  1.529
   37    41   317.000  1.522
   37    84   268.000  1.529
   37    49   268.000  1.529
   41    42   570.000  1.229
   41    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    70   268.000  1.529
   69    73   268.000  1.529
   69   101   268.000  1.529
   69    84   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    87   320.000  1.410
   87    93   214.000  1.327
   93    94   570.000  1.229
   93    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   320.000  1.410
  103    70   320.000  1.410
   70    76   268.000  1.529
   70    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    38   268.000  1.529
   38    43   268.000  1.529
   38    47   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    60   285.000  1.502
   47    61   320.000  1.410
   60    67   469.000  1.424
   60    91   546.000  1.367
   67    68   367.000  1.080
   67    71   546.000  1.367
   71    72   367.000  1.080
   71    86   340.000  1.360
   86    91   340.000  1.360
   91    92   367.000  1.080
   61    62   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   39    40   340.000  1.090
   39    53   317.000  1.522
   39    55   320.000  1.410
   53    54   570.000  1.229
   53    63   450.000  1.364
   63    64   553.000  0.945
   55    56   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    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    41    63.00000  111.10000
   33    37    84    58.35000  112.70000
   33    37    49    58.35000  112.70000
   33    38    95    58.35000  112.70000
   33    38    43    58.35000  112.70000
   33    38    47    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    53    63.00000  111.10000
   33    39    55    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    57    70.00000  116.00000
   37    84    69    58.35000  112.70000
   37    84    85    37.50000  110.70000
   37    84    88    58.35000  112.70000
   37    49    50    37.50000  110.70000
   37    49    51    37.50000  110.70000
   37    49    52    37.50000  110.70000
   41    57    58    35.00000  109.50000
   41    57    59    35.00000  109.50000
   41    57    65    63.00000  111.10000
   57    41    42    80.00000  120.40000
   57    65    66    37.50000  110.70000
   57    65    69    58.35000  112.70000
   57    65    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69   101    58.35000  112.70000
   65    69    84    58.35000  112.70000
   65    70   103    50.00000  109.50000
   65    70    76    58.35000  112.70000
   65    70    80    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    87    50.00000  109.50000
   69   101    98    58.35000  112.70000
   69   101   102    37.50000  110.70000
   69   101   103    50.00000  109.50000
   69    84    85    37.50000  110.70000
   69    84    88    58.35000  112.70000
   73    87    93    83.00000  116.90000
   75    73    74    33.00000  107.80000
   87    73    74    35.00000  109.50000
   87    73    75    35.00000  109.50000
   87    93    94    83.00000  123.40000
   87    93    98    81.00000  111.40000
   93    98    99    35.00000  109.50000
   93    98   100    35.00000  109.50000
   93    98   101    63.00000  111.10000
   98    93    94    80.00000  120.40000
   98   101   102    37.50000  110.70000
   98   101   103    50.00000  109.50000
  100    98    99    33.00000  107.80000
  101    69    73    58.35000  112.70000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   103    70    60.00000  109.50000
  103   101   102    35.00000  109.50000
  103    70    76    50.00000  109.50000
  103    70    80    50.00000  109.50000
   70    65    66    37.50000  110.70000
   70    65    69    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    70    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    37    41    63.00000  111.10000
   84    69    73    58.35000  112.70000
   84    69   101    58.35000  112.70000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    95    58.35000  112.70000
   88    84    85    37.50000  110.70000
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95    38    58.35000  112.70000
   90    88    89    33.00000  107.80000
   95    88    89    37.50000  110.70000
   95    88    90    37.50000  110.70000
   95    38    43    58.35000  112.70000
   95    38    47    58.35000  112.70000
   97    95    96    33.00000  107.80000
   38    33    37    58.35000  112.70000
   38    95    96    37.50000  110.70000
   38    95    97    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    46    37.50000  110.70000
   38    47    48    37.50000  110.70000
   38    47    60    70.00000  112.17500
   38    47    61    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    38    43    58.35000  112.70000
   47    60    67    60.00000  130.00000
   47    60    91    60.00000  130.00000
   47    61    62    55.00000  108.50000
   60    47    48    35.00000  109.50000
   60    67    68    35.00000  127.50000
   60    67    71    70.00000  107.30000
   60    91    86    70.00000  110.60000
   60    91    92    35.00000  132.10000
   67    71    72    35.00000  132.10000
   67    71    86    70.00000  110.60000
   71    67    68    35.00000  125.70000
   71    86    91    70.00000  106.50000
   86    71    72    35.00000  113.40000
   86    91    92    35.00000  113.40000
   91    60    67    70.00000  107.30000
   61    47    48    35.00000  109.50000
   61    47    60    90.00000  112.51600
   49    37    41    63.00000  111.10000
   49    37    84    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    38    58.35000  112.70000
   39    53    54    80.00000  120.40000
   39    53    63    70.00000  108.00000
   39    55    56    55.00000  108.50000
   53    39    40    35.00000  109.50000
   53    63    64    35.00000  113.00000
   63    53    54   100.00000  123.32000
   55    39    40    35.00000  109.50000
   55    39    53    95.00000  109.52300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
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   38    47    60    91   0.04150 -1.0 2.0
   38    47    61    62  -0.11600  1.0 1.0
   38    47    61    62  -0.09450 -1.0 2.0
   38    47    61    62   0.21250  1.0 3.0
   43    38    47    48   0.15000  1.0 3.0
   43    38    47    60  -0.03700  1.0 1.0
   43    38    47    60   0.37200 -1.0 2.0
   43    38    47    60  -0.47300  1.0 3.0
   43    38    47    61   0.86500  1.0 1.0
   43    38    47    61  -0.17500 -1.0 2.0
   43    38    47    61   0.20800  1.0 3.0
   47    38    43    44   0.15000  1.0 3.0
   47    38    43    45   0.15000  1.0 3.0
   47    38    43    46   0.15000  1.0 3.0
   47    60    67    68   3.62500 -1.0 2.0
   47    60    67    71   3.62500 -1.0 2.0
   47    60    91    86   3.62500 -1.0 2.0
   47    60    91    92   3.62500 -1.0 2.0
   48    47    60    67   0.00000  1.0 1.0
   48    47    60    91   0.00000  1.0 1.0
   48    47    61    62   0.19450  1.0 3.0
   60    47    61    62   0.31900  1.0 1.0
   60    47    61    62  -0.11800 -1.0 2.0
   60    47    61    62   0.38750  1.0 3.0
   60    67    71    72   3.62500 -1.0 2.0
   60    67   -71    86   3.62500 -1.0 2.0
   67    60   -91    86   3.62500 -1.0 2.0
   67    60    91    92   3.62500 -1.0 2.0
   67    71   -86    91   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    86   3.62500 -1.0 2.0
   71    86   -91    60   3.62500 -1.0 2.0
   71    86    91    92   3.62500 -1.0 2.0
   72    71    86    91   3.62500 -1.0 2.0
   91    60    67    68   3.62500 -1.0 2.0
   91    60   -67    71   3.62500 -1.0 2.0
   61    47    60    67   0.14300 -1.0 2.0
   61    47    60    67   0.00300  1.0 3.0
   61    47    60    91   0.14300 -1.0 2.0
   61    47    60    91   0.00300  1.0 3.0
   49    37    41    42   0.30150 -1.0 2.0
   49    37    41    57   0.60050  1.0 1.0
   49    37    41    57   0.05600 -1.0 2.0
   49    37    41    57   0.26150  1.0 3.0
   49    37    84    69   0.56750  1.0 1.0
   49    37    84    69  -0.07550 -1.0 2.0
   49    37    84    69   0.20000  1.0 3.0
   49    37    84    85   0.15000  1.0 3.0
   49    37    84    88   0.56750  1.0 1.0
   49    37    84    88  -0.07550 -1.0 2.0
   49    37    84    88   0.20000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    84   0.56750  1.0 1.0
   39    33    37    84  -0.07550 -1.0 2.0
   39    33    37    84   0.20000  1.0 3.0
   39    33    37    49   0.56750  1.0 1.0
   39    33    37    49  -0.07550 -1.0 2.0
   39    33    37    49   0.20000  1.0 3.0
   39    33    38    95   0.56750  1.0 1.0
   39    33    38    95  -0.07550 -1.0 2.0
   39    33    38    95   0.20000  1.0 3.0
   39    33    38    43   0.56750  1.0 1.0
   39    33    38    43  -0.07550 -1.0 2.0
   39    33    38    43   0.20000  1.0 3.0
   39    33    38    47   0.56750  1.0 1.0
   39    33    38    47  -0.07550 -1.0 2.0
   39    33    38    47   0.20000  1.0 3.0
   39    53    63    64   1.50000  1.0 1.0
   39    53    63    64   2.45000 -1.0 2.0
   40    39    53    54   0.00000  1.0 1.0
   40    39    53    63   0.00000  1.0 1.0
   40    39    55    56   0.19450  1.0 3.0
   53    39    55    56   0.91850  1.0 1.0
   53    39    55    56   0.57950  1.0 3.0
   54    53    63    64   0.92200  1.0 1.0
   54    53    63    64   3.74100 -1.0 2.0
   55    39    53    54   0.30150 -1.0 2.0
   55    39    53    63   2.24650  1.0 1.0
   55    39    53    63   0.70300 -1.0 2.0
   55    39    53    63   0.26850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    57    41    42  10.50000 -1.0 2.0
   87    98    93    94  10.50000 -1.0 2.0
   67    91    60    47   4.00000 -1.0 2.0
   71    68    67    60   1.10000 -1.0 2.0
   86    72    71    67   1.10000 -1.0 2.0
   86    92    91    60   1.10000 -1.0 2.0
   39    63    53    54  10.50000 -1.0 2.0
END
