* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    201    332     607
    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   OM   _O27    97     1.31438   107.04546   -67.07798
   41    39 S   HC   _H66    98     1.09423   106.44931    62.56798
   42    37 S   CO4  _C8_    38     1.57322   112.66827    35.53166
   43    42 S   O    _O28    39     1.23566   121.38745    41.31149
   44    38 S   CT   _C25    76     1.56161   115.95244    24.53360
   45    44 S   HC   _H56    77     1.07787   108.16053   -56.56212
   46    44 S   HC   _H57    78     1.07768   108.18246  -176.64281
   47    44 S   HC   _H58    79     1.07907   108.13432    63.38299
   48    38 S   CT   _C28    80     1.55529   112.65332   -95.02972
   49    48 S   HC   _H65    81     1.08730   107.33696   -30.96447
   50    37 S   CT   _C24    92     1.55602   111.84621   148.94556
   51    50 S   HC   _H53    93     1.08093   108.60739    59.73668
   52    50 S   HC   _H54    94     1.08063   108.59979   -60.26484
   53    50 S   HC   _H55    95     1.08070   108.61276   179.77100
   54    39 S   C    _C10    99     1.52482   107.94801   176.82911
   55    54 S   O    _O30   100     1.22432   126.46128   -54.10976
   56    42 S   CT   _C11    40     1.52238   120.25066  -146.86734
   57    56 S   HC   _H40    41     1.10180   107.85445   155.48237
   58    56 S   HC   _H41    42     1.09881   109.40770   -89.05416
   59    48 S   C5BC _C7_    82     1.49831   111.43402  -154.45364
   60    48 S   OH   _O37    90     1.41754   107.58648    85.50203
   61    60 S   HO   _H68    91     0.97227   107.01081  -178.70487
   62    54 S   OH   _O36   101     1.36327   111.74896   125.40255
   63    62 S   HO   _H67   102     0.98071   115.51314  -179.63043
   64    56 S   CT   _C16    43     1.50910   110.30783    36.16444
   65    64 S   HC   _H50    44     1.09738   104.77922    56.67056
   66    59 S   C5BC _C4_    83     1.41576   127.01534   -89.47319
   67    66 S   HA   _H37    84     1.08092   127.79367     0.05935
   68    64 S   CT   _C20    45     1.53659   113.22845   -59.20931
   69    64 S   CT   _C23    58     1.52578   120.85982   174.14168
   70    66 S   C5A  _C5_    85     1.37530   106.12156  -180.00000
   71    70 S   HA   _H38    86     1.08016   133.85201   180.00000
   72    68 S   CT   _C15    46     1.55075   116.75763   -56.55698
   73    72 S   HC   _H48    47     1.08977   111.76594    28.45294
   74    72 S   HC   _H49    48     1.09287   111.60949   147.91727
   75    69 S   CT   _C26    59     1.52798   115.51726    36.16855
   76    75 S   HC   _H59    60     1.08839   109.85068  -180.00000
   77    75 S   HC   _H60    61     1.08900   109.76684    60.01548
   78    75 S   HC   _H61    62     1.08902   109.79356   -59.96385
   79    69 S   CT   _C27    63     1.53489   111.45120   -88.07713
   80    79 S   HC   _H62    64     1.08629   109.43785  -179.96574
   81    79 S   HC   _H63    65     1.08636   109.45182    60.02755
   82    79 S   HC   _H64    66     1.08635   109.43762   -59.99789
   83    37 S   CT   _C17    67     1.57395   107.12947   -88.27980
   84    83 S   HC   _H51    68     1.10928   106.21467    47.26984
   85    70 S   OA   _O33    87     1.35942   110.54918     0.01978
   86    72 S   OS   _O34    49     1.44509   115.84642   -91.76291
   87    83 S   CT   _C13    69     1.53977   112.61156   -64.12061
   88    87 S   HC   _H44    70     1.10648   111.79009   -92.19703
   89    87 S   HC   _H45    71     1.10538   109.55291   152.38218
   90    59 S   C5A  _C6_    88     1.37547   126.85276    90.58964
   91    90 S   HA   _H39    89     1.08098   133.91943    -0.08393
   92    86 S   CO4  _C9_    50     1.35409   120.10662   -49.44603
   93    92 S   O    _O29    51     1.22605   122.35910  -159.14951
   94    87 S   CT   _C14    72     1.52873   114.12409    33.18544
   95    94 S   HC   _H46    73     1.09662   108.15492   152.85060
   96    94 S   HC   _H47    74     1.09760   108.28884   -93.36665
   97    92 S   CT   _C12    52     1.50246   115.08006    21.56860
   98    97 S   HC   _H42    53     1.09805   106.97923   150.19367
   99    97 S   HC   _H43    54     1.09267   108.73768   -92.84087
  100    68 S   CT   _C18    55     1.53361    98.13883  -172.27778
  101   100 S   HC   _H52    56     1.09892   111.30773   -79.93725
  102   100 S   OS   _O35    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
  30   2   1   1  26  24  12   4   3  15   6  11   4   3   2  14
   6   8   3   2   1   3   2  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    42    83    94    38    44    48    50    39    40    41    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    56    68    83    84    87    94    95    96    38    44    45    46    47    48    49    59    60    50    51    52    53    39    40    41    54    55    62  
   35    36  
   36  
    0  
   42    43    56    57    58    64    68    72   100    83    84    87    88    89    94    38    44    48    50    51    52    53    39    40    41    54  
   44    45    46    47    48    49    59    66    90    60    61    50    39    40    41    54    42    83    87    88    89    94    95    96  
   40    41    54    55    62    63    42    44    48    50    83    94  
   41    54    55    62  
   54    55    62  
   43    56    57    58    64    65    68    69    83    84    87    50    51    52    53  
   56    57    58    64    83    50  
   45    46    47    48    49    59    60    87    94    95    96  
   46    47    48    94  
   47    48    94  
   48    94  
   49    59    66    67    70    85    90    91    60    61    87    94    95    96  
   59    66    90    60    61    94  
   51    52    53    56    68    83    84    87  
   52    53    83  
   53    83  
   83  
   55    62    63  
   62    63  
   57    58    64    65    68    72   100   102    69    75    79    83  
   58    64    65    68    69  
   64    65    68    69  
   66    67    70    71    85    90    91    60    61    94  
   61    66    90    94  
    0  
   63  
    0  
   65    68    72    73    74    86    97   100   101   102    69    75    76    77    78    79    80    81    82    83    84    87  
   68    72   100   102    69    75    79    83  
   67    70    71    85    90    91  
   70    71    85    90  
   72    73    74    86    92    97    98    99   100   101   102    69    75    79    83    84    87    88    89    94  
   75    76    77    78    79    80    81    82    83    72    97   100   101   102  
   71    85    90    91  
   85    90  
   73    74    86    92    93    97   100   101   102    83    84    87  
   74    86    92   100    83  
   86    92   100    83  
   76    77    78    79    80    81    82   100   102  
   77    78    79   102  
   78    79   102  
   79   102  
   80    81    82   100   102  
   81    82   102  
   82   102  
  102  
   84    87    88    89    94    95    96    86    97   100   101   102  
   87    88    89    94   100  
   90    91  
   92    93    97    98    99   100  
   88    89    94    95    96   100  
   89    94    95    96  
   94    95    96  
   91  
    0  
   93    97    98    99   100   101   102  
   97    98    99   100  
   95    96  
   96  
    0  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   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    42   317.000  1.522
   37    83   268.000  1.529
   37    50   268.000  1.529
   42    43   570.000  1.229
   42    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    69   268.000  1.529
   68    72   268.000  1.529
   68   100   268.000  1.529
   68    83   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    86   320.000  1.410
   86    92   214.000  1.327
   92    93   570.000  1.229
   92    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   320.000  1.410
  102    69   320.000  1.410
   69    75   268.000  1.529
   69    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    38   268.000  1.529
   38    44   268.000  1.529
   38    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    59   285.000  1.502
   48    60   320.000  1.410
   59    66   469.000  1.424
   59    90   546.000  1.367
   66    67   367.000  1.080
   66    70   546.000  1.367
   70    71   367.000  1.080
   70    85   340.000  1.360
   85    90   340.000  1.360
   90    91   367.000  1.080
   60    61   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    54   317.000  1.522
   54    55   570.000  1.229
   54    62   450.000  1.364
   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    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    42    63.00000  111.10000
   33    37    83    58.35000  112.70000
   33    37    50    58.35000  112.70000
   33    38    94    58.35000  112.70000
   33    38    44    58.35000  112.70000
   33    38    48    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    54    63.00000  111.10000
   37    42    43    80.00000  120.40000
   37    42    56    70.00000  116.00000
   37    83    68    58.35000  112.70000
   37    83    84    37.50000  110.70000
   37    83    87    58.35000  112.70000
   37    50    51    37.50000  110.70000
   37    50    52    37.50000  110.70000
   37    50    53    37.50000  110.70000
   42    56    57    35.00000  109.50000
   42    56    58    35.00000  109.50000
   42    56    64    63.00000  111.10000
   56    42    43    80.00000  120.40000
   56    64    65    37.50000  110.70000
   56    64    68    58.35000  112.70000
   56    64    69    58.35000  112.70000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68   100    58.35000  112.70000
   64    68    83    58.35000  112.70000
   64    69   102    50.00000  109.50000
   64    69    75    58.35000  112.70000
   64    69    79    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    86    50.00000  109.50000
   68   100    97    58.35000  112.70000
   68   100   101    37.50000  110.70000
   68   100   102    50.00000  109.50000
   68    83    84    37.50000  110.70000
   68    83    87    58.35000  112.70000
   72    86    92    83.00000  116.90000
   74    72    73    33.00000  107.80000
   86    72    73    35.00000  109.50000
   86    72    74    35.00000  109.50000
   86    92    93    83.00000  123.40000
   86    92    97    81.00000  111.40000
   92    97    98    35.00000  109.50000
   92    97    99    35.00000  109.50000
   92    97   100    63.00000  111.10000
   97    92    93    80.00000  120.40000
   97   100   101    37.50000  110.70000
   97   100   102    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    68    72    58.35000  112.70000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102    69    60.00000  109.50000
  102   100   101    35.00000  109.50000
  102    69    75    50.00000  109.50000
  102    69    79    50.00000  109.50000
   69    64    65    37.50000  110.70000
   69    64    68    58.35000  112.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    69    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    37    42    63.00000  111.10000
   83    68    72    58.35000  112.70000
   83    68   100    58.35000  112.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    94    58.35000  112.70000
   87    83    84    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    38    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    38    44    58.35000  112.70000
   94    38    48    58.35000  112.70000
   96    94    95    33.00000  107.80000
   38    33    37    58.35000  112.70000
   38    94    95    37.50000  110.70000
   38    94    96    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    47    37.50000  110.70000
   38    48    49    37.50000  110.70000
   38    48    59    70.00000  112.17500
   38    48    60    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    38    44    58.35000  112.70000
   48    59    66    60.00000  130.00000
   48    59    90    60.00000  130.00000
   48    60    61    55.00000  108.50000
   59    48    49    35.00000  109.50000
   59    66    67    35.00000  127.50000
   59    66    70    70.00000  107.30000
   59    90    85    70.00000  110.60000
   59    90    91    35.00000  132.10000
   66    70    71    35.00000  132.10000
   66    70    85    70.00000  110.60000
   70    66    67    35.00000  125.70000
   70    85    90    70.00000  106.50000
   85    70    71    35.00000  113.40000
   85    90    91    35.00000  113.40000
   90    59    66    70.00000  107.30000
   60    48    49    35.00000  109.50000
   60    48    59    90.00000  112.51600
   50    37    42    63.00000  111.10000
   50    37    83    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    38    58.35000  112.70000
   39    54    55    80.00000  120.40000
   39    54    62    70.00000  108.00000
   41    39    40    45.00000  125.66300
   54    39    40    90.00000  108.55600
   54    39    41    35.00000  109.50000
   54    62    63    35.00000  113.00000
   62    54    55   100.00000  123.32000
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
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
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   44    38    48    60  -0.17500 -1.0 2.0
   44    38    48    60   0.20800  1.0 3.0
   48    38    44    45   0.15000  1.0 3.0
   48    38    44    46   0.15000  1.0 3.0
   48    38    44    47   0.15000  1.0 3.0
   48    59    66    67   3.62500 -1.0 2.0
   48    59    66    70   3.62500 -1.0 2.0
   48    59    90    85   3.62500 -1.0 2.0
   48    59    90    91   3.62500 -1.0 2.0
   49    48    59    66   0.00000  1.0 1.0
   49    48    59    90   0.00000  1.0 1.0
   49    48    60    61   0.19450  1.0 3.0
   59    48    60    61   0.31900  1.0 1.0
   59    48    60    61  -0.11800 -1.0 2.0
   59    48    60    61   0.38750  1.0 3.0
   59    66    70    71   3.62500 -1.0 2.0
   59    66   -70    85   3.62500 -1.0 2.0
   66    59   -90    85   3.62500 -1.0 2.0
   66    59    90    91   3.62500 -1.0 2.0
   66    70   -85    90   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    85   3.62500 -1.0 2.0
   70    85   -90    59   3.62500 -1.0 2.0
   70    85    90    91   3.62500 -1.0 2.0
   71    70    85    90   3.62500 -1.0 2.0
   90    59    66    67   3.62500 -1.0 2.0
   90    59   -66    70   3.62500 -1.0 2.0
   60    48    59    66   0.14300 -1.0 2.0
   60    48    59    66   0.00300  1.0 3.0
   60    48    59    90   0.14300 -1.0 2.0
   60    48    59    90   0.00300  1.0 3.0
   50    37    42    43   0.30150 -1.0 2.0
   50    37    42    56   0.60050  1.0 1.0
   50    37    42    56   0.05600 -1.0 2.0
   50    37    42    56   0.26150  1.0 3.0
   50    37    83    68   0.56750  1.0 1.0
   50    37    83    68  -0.07550 -1.0 2.0
   50    37    83    68   0.20000  1.0 3.0
   50    37    83    84   0.15000  1.0 3.0
   50    37    83    87   0.56750  1.0 1.0
   50    37    83    87  -0.07550 -1.0 2.0
   50    37    83    87   0.20000  1.0 3.0
   39    33    37    42  -0.95700  1.0 1.0
   39    33    37    42  -0.18200 -1.0 2.0
   39    33    37    42   0.29450  1.0 3.0
   39    33    37    83   0.56750  1.0 1.0
   39    33    37    83  -0.07550 -1.0 2.0
   39    33    37    83   0.20000  1.0 3.0
   39    33    37    50   0.56750  1.0 1.0
   39    33    37    50  -0.07550 -1.0 2.0
   39    33    37    50   0.20000  1.0 3.0
   39    33    38    94   0.56750  1.0 1.0
   39    33    38    94  -0.07550 -1.0 2.0
   39    33    38    94   0.20000  1.0 3.0
   39    33    38    44   0.56750  1.0 1.0
   39    33    38    44  -0.07550 -1.0 2.0
   39    33    38    44   0.20000  1.0 3.0
   39    33    38    48   0.56750  1.0 1.0
   39    33    38    48  -0.07550 -1.0 2.0
   39    33    38    48   0.20000  1.0 3.0
   39    54    62    63   1.50000  1.0 1.0
   39    54    62    63   2.45000 -1.0 2.0
   40    39    54    55   0.30150 -1.0 2.0
   40    39    54    62   0.40000  1.0 3.0
   41    39    54    55   0.00000  1.0 1.0
   41    39    54    62   0.00000  1.0 1.0
   55    54    62    63   0.92200  1.0 1.0
   55    54    62    63   3.74100 -1.0 2.0
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    56    42    43  10.50000 -1.0 2.0
   86    97    92    93  10.50000 -1.0 2.0
   66    90    59    48   4.00000 -1.0 2.0
   70    67    66    59   1.10000 -1.0 2.0
   85    71    70    66   1.10000 -1.0 2.0
   85    91    90    59   1.10000 -1.0 2.0
   39    62    54    55  10.50000 -1.0 2.0
END
