* LIGAND DATABASE FILE (OPLS2005)
*
001     113   117    219    346     637
    1     0 S   NP   _N1_     1    28.65784    96.13392   -23.83961
    2     1 S   H    _HN1     2     1.02829    40.11390   178.41415
    3     1 S   H    _H1_     3     1.02789   107.42637   -84.29791
    4     1 S   H    _H2_     4     1.02949    69.35855    19.26806
    5     1 S   CT   _CA1     5     1.50108   137.56386   117.34735
    6     5 S   HC   _HA1     6     1.09575   105.19103    96.33768
    7     5 S   CO3  _C1_     7     1.53779   112.43681   -23.89860
    8     7 S   O2Z  _O11     8     1.26372   115.01062   -43.50268
    9     7 S   O2Z  _O12     9     1.26239   114.93609   135.59722
   10     5 S   CT   _CB1    10     1.53077   107.42637  -145.70048
   11    10 S   HC   HB11    11     1.09835   109.35865   -49.78562
   12    10 S   HC   HB12    12     1.09812   110.46720    66.81786
   13    10 S   CT   _CG1    13     1.53003   112.60292  -170.74912
   14    13 S   HC   HG11    14     1.09580   110.65815   -66.01403
   15    13 S   HC   HG12    15     1.09670   109.75971    53.21907
   16    13 S   C    _CD1    16     1.51805   112.16210   173.67839
   17    16 S   O    _OE1    17     1.22746   123.25479     8.40308
   18    16 S   N    _N2_    18     1.38657   111.72184  -171.66575
   19    18 S   H    _HN2    19     1.01585   118.98909     1.39058
   20    18 S   CT1  _CA2    20     1.46177   123.34596   177.26792
   21    20 S   HC   _HA2    21     1.09748   109.28862     4.14638
   22    20 S   C    _C2_    22     1.53580   108.85563  -111.30733
   23    22 S   O    _O2_    23     1.23070   122.23880  -149.17362
   24    20 S   CT   _CB2    32     1.53279   111.63589   126.05498
   25    24 S   HC   HB21    33     1.09551   110.28923    56.75577
   26    24 S   HC   HB22    34     1.09531   110.01692   175.92177
   27    22 S   N    _N3_    24     1.38315   113.77845    38.38549
   28    27 S   H    _HN3    25     1.01571   119.58696    -3.45173
   29    24 S   S    _SG2    35     1.82743   111.44771   -64.50331
   30    27 S   CT   _CA3    26     1.45287   123.25561   177.05709
   31    30 S   HC   HA31    27     1.09548   107.52620   -64.30708
   32    30 S   HC   HA32    28     1.09556   107.97504    52.14137
   33    29 S   CT   _C17    36     1.86493    99.44388  -178.42443
   34    33 S   HC   _H3_    37     1.09016   105.45617    25.54970
   35    30 S   CO3  _C3_    29     1.52970   114.04929   174.12867
   36    35 S   O2Z  _O31    30     1.26381   116.05921    -0.51129
   37    35 S   O2Z  _O32    31     1.26424   114.41989   179.54716
   38    33 S   CM   _C8_    38     1.49585   107.50578   -87.17390
   39    38 S   HC   _H45    39     1.09153   116.46191    29.97125
   40    38 S   CMA  _C9_    40     1.34626   127.09760  -151.44637
   41    40 S   OM   _O33    41     1.26586   126.20621   179.53312
   42    40 S   CT   _C23    42     1.56919   120.32418    -2.10468
   43    42 S   CT   _C19    43     1.62131   113.64706     0.10835
   44    43 S   HC   _H53    44     1.09501   103.57704   -86.20053
   45    42 S   CT   _C29   106     1.56667   107.74617  -117.76478
   46    45 S   HC   _H63   107     1.09236   111.99998  -178.09978
   47    45 S   HC   _H64   108     1.09643   111.17036    61.00850
   48    45 S   HC   _H65   109     1.09653   112.28985   -59.42179
   49    42 S   CT   _C30   110     1.56032   110.40684   126.98628
   50    49 S   HC   _H66   111     1.09505   111.73096   168.54056
   51    49 S   HC   _H67   112     1.09642   112.38303    51.12631
   52    49 S   HC   _H68   113     1.09228   112.42505   -69.61492
   53    33 S   CT   _C26    45     1.57753   113.57303   145.00164
   54    43 S   CT   _C34    96     1.55328   113.25202   158.37235
   55    54 S   HC   _H78    97     1.09321   111.82595   -47.46928
   56    54 S   HC   _H79    98     1.08666   111.51382  -163.17943
   57    53 S   CT   _C18    46     1.65432   107.19737   -66.41719
   58    57 S   HC   _H52    47     1.09781   105.44903    24.87334
   59    53 S   CT   _C32    92     1.55324   109.12178    55.62023
   60    59 S   HC   _H72    93     1.09400   111.83823   177.35499
   61    59 S   HC   _H73    94     1.09223   112.21369    56.96329
   62    59 S   HC   _H74    95     1.09130   112.89664   -60.71045
   63    54 S   CO4  _C14    99     1.51219   113.92742    78.45589
   64    63 S   O    _O36   100     1.22419   124.46918    45.92802
   65    57 S   CM   _C10    48     1.56039   117.10953   -89.34132
   66    57 S   CT   _C21    68     1.59292   117.10478   137.73559
   67    66 S   HC   _H55    69     1.09528   108.66416    62.11429
   68    63 S   OS   _O41   101     1.36402   109.80849  -135.45641
   69    65 S   C3T  _C24    49     1.47045   112.55686  -132.45339
   70    66 S   OS   _O39    70     1.44812   110.51724   -57.21417
   71    65 S   CM   _C11    89     1.34403   124.67836    55.59765
   72    71 S   HC   _H46    90     1.08569   120.69039   175.75702
   73    71 S   HC   _H47    91     1.07972   123.28449    -3.43541
   74    68 S   CT   _C33   102     1.43015   115.17570  -179.69099
   75    74 S   HC   _H75   103     1.09326   108.11119  -179.36449
   76    74 S   HC   _H76   104     1.09423   110.27702    61.94368
   77    74 S   HC   _H77   105     1.09429   110.30735   -60.68254
   78    69 S   C3T  _C20    50     1.48672   130.13587   152.91198
   79    78 S   HC   _H54    51     1.07527   123.51617     7.31888
   80    70 S   CO4  _C12    71     1.36408   117.59450   154.73320
   81    80 S   O    _O34    72     1.22306   126.39782    -1.82327
   82    78 S   CT   _C15    52     1.50602   109.47164   153.61339
   83    82 S   HC   _H48    53     1.09428   109.36965  -101.95486
   84    82 S   HC   _H49    54     1.09483   111.61445   138.17102
   85    80 S   CT   _C27    73     1.49823   109.45966   178.30638
   86    85 S   HC   _H57    74     1.09306   109.83786   -57.87903
   87    85 S   HC   _H58    75     1.09373   109.34396  -176.72709
   88    85 S   HC   _H59    76     1.09266   109.85592    64.03807
   89    69 S   O3T  _O38    88     1.45448   118.17392    82.89873
   90    82 S   CT   _C16    55     1.56017   103.54436    18.49809
   91    90 S   HC   _H50    56     1.10183   106.64611    80.01667
   92    90 S   C5BC _C7_    57     1.49599   115.32693  -161.63578
   93    69 S   CT   _C25    65     1.52923   115.24729   -60.03370
   94    92 S   C5BC _C4_    58     1.42536   129.17220    26.60656
   95    94 S   HA   _H42    59     1.08057   127.81175     0.36850
   96    93 S   CT   _C22    66     1.55738   107.81823    59.10299
   97    96 S   HC   _H56    67     1.09507   109.70976   117.70753
   98    93 S   CT   _C31    84     1.55767   109.02703   -63.08850
   99    98 S   HC   _H69    85     1.09598   111.79195    62.56228
  100    98 S   HC   _H70    86     1.09538   111.90241   -56.45726
  101    98 S   HC   _H71    87     1.09500   111.74081  -177.45309
  102    94 S   C5A  _C5_    60     1.37474   106.75799   179.97202
  103   102 S   HA   _H43    61     1.08024   133.81090  -179.82529
  104    96 S   OS   _O40    77     1.45519   109.19203  -122.47356
  105   102 S   OA   _O37    62     1.35571   110.47151     0.16786
  106   104 S   CO4  _C13    78     1.36125   118.83063  -123.20812
  107   106 S   O    _O35    79     1.22269   126.72524     0.02798
  108    92 S   C5A  _C6_    63     1.38277   126.03014  -153.09922
  109   108 S   HA   _H44    64     1.08091   133.34138    -0.17017
  110   106 S   CT   _C28    80     1.49834   109.27016  -179.63738
  111   110 S   HC   _H60    81     1.09295   109.81951   -60.42068
  112   110 S   HC   _H61    82     1.09373   109.37553  -179.45320
  113   110 S   HC   _H62    83     1.09302   109.78906    61.45958
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  18   7   2   1   1  10   4  14   4  17  24   9   9   3   2   1
   5   2   1   1  17   8   4   3  20   8   5   2   1   1   6   2
  15  14   6   4  20  10   5   1   1   3   2   1   1  11   6   6
   4  11   6   5   3   2   1   1   4  16   6  10  10   6   4   9
   3   4   2   1   1   4   2   6   2   5   4   1   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    53    57    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    53    57    58    65    66    59    60    61    62    54  
   38    39    40    43    53    57    59  
   36    37  
   37  
    0  
   39    40    41    42    43    53    57    59    45    49  
   40    41    42    53  
   41    42    43    44    53    54    45    46    47    48    49    50    51    52  
   42    43    45    49  
   43    44    53    57    59    54    55    56    63    45    46    47    48    49    50    51    52  
   44    53    57    58    65    66    59    60    61    62    54    55    56    63    64    68    45    46    47    48    49    50    51    52  
   53    57    59    54    55    56    63    45    49  
   46    47    48    49    50    51    52    53    54  
   47    48    49  
   48    49  
   49  
   50    51    52    53    54  
   51    52  
   52  
    0  
   57    58    65    69    96    66    67    70    71    59    60    61    62    54    55    56    63  
   55    56    63    64    68    74    57    59  
   56    63    64    68  
   63    64    68  
   58    65    69    78    93    96    97    66    67    70    80   104    89    71    72    73    59    60    61    62  
   65    69    96    66    67    70    71    59  
   60    61    62    65    66  
   61    62  
   62  
    0  
   64    68    74    75    76    77  
   68    74  
   69    78    79    82    90    93    96    66    67    70    98    89    71    72    73  
   67    70    80    81    85   104   106    98    71    69    90    93    96    97  
   70    80   104    93    96    97  
   74    75    76    77  
   78    79    82    83    84    90    91    92    93    96    97   104    98    99   100   101    89    71    72    73  
   80    81    85    86    87    88   104    93    96    97  
   72    73    78    89    93  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    82    83    84    90    91    92    93    96    98    89  
   82    83    84    90    93    89  
   81    85    86    87    88    96  
   85    86    87    88  
   83    84    90    91    92    94   108    93    96    98    89  
   84    90    91    92    93    89  
   90    91    92    93    89  
   86    87    88  
   87    88  
   88  
    0  
   90    93    96    98  
   91    92    94    95   102   105   108   109    93    96    97   104    98    99   100   101  
   92    94   108    93    96    98  
   94    95   102   103   105   108   109    93    96    98  
   96    97   104   106    98    99   100   101    94   108  
   95   102   103   105   108   109  
  102   103   105   108  
   97   104   106   107   110    98    99   100   101  
  104   106    98  
   99   100   101   104  
  100   101  
  101  
    0  
  103   105   108   109  
  105   108  
  106   107   110   111   112   113  
  108   109  
  107   110   111   112   113  
  110   111   112   113  
  109  
    0  
  111   112   113  
  112   113  
  113  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   90   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   93   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   96   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  103   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  104   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  105   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  106   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  108   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  109   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  113   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    49   268.000  1.529
   43    44   340.000  1.090
   43    53   268.000  1.529
   43    54   268.000  1.529
   53    57   268.000  1.529
   53    59   268.000  1.529
   57    58   340.000  1.090
   57    65   317.000  1.510
   57    66   268.000  1.529
   65    69   305.000  1.480
   65    71   549.000  1.340
   69    78   260.000  1.509
   69    93   275.000  1.510
   69    89   335.000  1.432
   78    79   340.000  1.088
   78    82   275.000  1.510
   78    89   335.000  1.432
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    90   268.000  1.529
   90    91   340.000  1.090
   90    92   285.000  1.502
   90    93   268.000  1.529
   92    94   469.000  1.424
   92   108   546.000  1.367
   94    95   367.000  1.080
   94   102   546.000  1.367
  102   103   367.000  1.080
  102   105   340.000  1.360
  105   108   340.000  1.360
  108   109   367.000  1.080
   93    96   268.000  1.529
   93    98   268.000  1.529
   96    97   340.000  1.090
   96    66   268.000  1.529
   96   104   320.000  1.410
   66    67   340.000  1.090
   66    70   320.000  1.410
   70    80   214.000  1.327
   80    81   570.000  1.229
   80    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
  104   106   214.000  1.327
  106   107   570.000  1.229
  106   110   317.000  1.522
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   317.000  1.522
   63    64   570.000  1.229
   63    68   214.000  1.327
   68    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    53    43    58.35000  112.70000
   33    53    57    58.35000  112.70000
   33    53    59    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    49    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    53    58.35000  112.70000
   42    43    54    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   43    53    57    58.35000  112.70000
   43    53    59    58.35000  112.70000
   43    54    55    37.50000  110.70000
   43    54    56    37.50000  110.70000
   43    54    63    63.00000  111.10000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    43    44    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    65    70.00000  112.02700
   53    57    66    58.35000  112.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   57    65    69    65.00000  117.92700
   57    65    71    70.00000  124.00000
   57    66    96    58.35000  112.70000
   57    66    67    37.50000  110.70000
   57    66    70    50.00000  109.50000
   65    57    58    35.00000  109.50000
   65    69    78    60.00000  120.58800
   65    69    93    65.00000  117.55000
   65    69    89    85.00000  114.23300
   65    71    72    35.00000  120.00000
   65    71    73    35.00000  120.00000
   69    78    79    37.50000  117.20000
   69    78    82    60.00000  120.94000
   69    78    89    15.00000   60.43100
   69    93    90    70.00000  112.37300
   69    93    96    70.00000  112.37300
   69    93    98    70.00000  112.37300
   69    89    78    15.00000   59.14900
   78    82    83    45.00000  109.38400
   78    82    84    45.00000  109.38400
   78    82    90    70.00000  112.37300
   82    78    79    40.00000  115.04500
   82    90    91    37.50000  110.70000
   82    90    92    70.00000  112.17500
   82    90    93    58.35000  112.70000
   84    82    83    33.00000  107.80000
   90    82    83    37.50000  110.70000
   90    82    84    37.50000  110.70000
   90    92    94    60.00000  130.00000
   90    92   108    60.00000  130.00000
   90    93    96    58.35000  112.70000
   90    93    98    58.35000  112.70000
   92    90    91    35.00000  109.50000
   92    94    95    35.00000  127.50000
   92    94   102    70.00000  107.30000
   92   108   105    70.00000  110.60000
   92   108   109    35.00000  132.10000
   94   102   103    35.00000  132.10000
   94   102   105    70.00000  110.60000
  102    94    95    35.00000  125.70000
  102   105   108    70.00000  106.50000
  105   102   103    35.00000  113.40000
  105   108   109    35.00000  113.40000
  108    92    94    70.00000  107.30000
   93    69    78    60.00000  120.94000
   93    90    91    37.50000  110.70000
   93    90    92    70.00000  112.17500
   93    96    97    37.50000  110.70000
   93    96    66    58.35000  112.70000
   93    96   104    50.00000  109.50000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    37.50000  110.70000
   96    66    67    37.50000  110.70000
   96    66    70    50.00000  109.50000
   96   104   106    83.00000  116.90000
   66    57    58    37.50000  110.70000
   66    57    65    70.00000  112.02700
   66    96    97    37.50000  110.70000
   66    70    80    83.00000  116.90000
   70    66    67    35.00000  109.50000
   70    80    81    83.00000  123.40000
   70    80    85    81.00000  111.40000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   85    80    81    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
  104    96    97    35.00000  109.50000
  104    96    66    50.00000  109.50000
  104   106   107    83.00000  123.40000
  104   106   110    81.00000  111.40000
  106   110   111    35.00000  109.50000
  106   110   112    35.00000  109.50000
  106   110   113    35.00000  109.50000
  110   106   107    80.00000  120.40000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   98    93    96    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   89    69    78    15.00000   60.43100
   89    69    93    80.00000  116.47100
   89    78    79    50.00000  114.27700
   89    78    82    80.00000  116.47100
   71    65    69    55.00000  125.06700
   73    71    72    35.00000  117.00000
   59    53    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   54    43    44    37.50000  110.70000
   54    43    53    58.35000  112.70000
   54    63    64    80.00000  120.40000
   54    63    68    81.00000  111.40000
   56    54    55    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    56    35.00000  109.50000
   63    68    74    83.00000  116.90000
   68    63    64    83.00000  123.40000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   45    42    43    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    42    43    58.35000  112.70000
   49    42    45    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
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
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   93    69   -89    78  -0.01100 -1.0 2.0
   93    69   -89    78   0.28050  1.0 3.0
   93    90    92    94   0.04150 -1.0 2.0
   93    90    92   108   0.04150 -1.0 2.0
   93    96   -66    57   0.56750  1.0 1.0
   93    96   -66    57  -0.07550 -1.0 2.0
   93    96   -66    57   0.20000  1.0 3.0
   93    96    66    67   0.15000  1.0 3.0
   93    96    66    70   0.62750  1.0 1.0
   93    96    66    70  -0.30950 -1.0 2.0
   93    96    66    70   0.27300  1.0 3.0
   93    96   104   106  -0.25900  1.0 1.0
   93    96   104   106  -0.47000 -1.0 2.0
   93    96   104   106   0.11750  1.0 3.0
   96    93    98    99   0.15000  1.0 3.0
   96    93    98   100   0.15000  1.0 3.0
   96    93    98   101   0.15000  1.0 3.0
   96    66    70    80  -0.25900  1.0 1.0
   96    66    70    80  -0.47000 -1.0 2.0
   96    66    70    80   0.11750  1.0 3.0
   96   104   106   107   3.00000 -1.0 2.0
   96   104   106   110   1.63150  1.0 1.0
   96   104   106   110   2.92000 -1.0 2.0
   97    96    66    57   0.15000  1.0 3.0
   97    96    66    67   0.15000  1.0 3.0
   97    96    66    70   0.23400  1.0 3.0
   97    96   104   106   0.08050  1.0 3.0
   66    57   -65    69   0.46850  1.0 1.0
   66    57   -65    69   0.08550 -1.0 2.0
   66    57   -65    69   0.09800  1.0 3.0
   66    57    65    71   0.09850  1.0 1.0
   66    57    65    71   0.15250 -1.0 2.0
   66    57    65    71  -0.50650  1.0 3.0
   66    96   104   106  -0.25900  1.0 1.0
   66    96   104   106  -0.47000 -1.0 2.0
   66    96   104   106   0.11750  1.0 3.0
   66    70    80    81   3.00000 -1.0 2.0
   66    70    80    85   1.63150  1.0 1.0
   66    70    80    85   2.92000 -1.0 2.0
   67    66    70    80   0.08050  1.0 3.0
   70    80    85    86   0.00000  1.0 1.0
   70    80    85    87   0.00000  1.0 1.0
   70    80    85    88   0.00000  1.0 1.0
   81    80    85    86   0.00000  1.0 1.0
   81    80    85    87   0.00000  1.0 1.0
   81    80    85    88   0.00000  1.0 1.0
  104    96    66    57   0.62750  1.0 1.0
  104    96    66    57  -0.30950 -1.0 2.0
  104    96    66    57   0.27300  1.0 3.0
  104    96    66    67   0.23400  1.0 3.0
  104    96    66    70   1.11900  1.0 1.0
  104    96    66    70  -1.16350 -1.0 2.0
  104    96    66    70  -0.34150  1.0 3.0
  104   106   110   111   0.00000  1.0 1.0
  104   106   110   112   0.00000  1.0 1.0
  104   106   110   113   0.00000  1.0 1.0
  107   106   110   111   0.00000  1.0 1.0
  107   106   110   112   0.00000  1.0 1.0
  107   106   110   113   0.00000  1.0 1.0
   98    93    96    97   0.15000  1.0 3.0
   98    93    96    66   0.56750  1.0 1.0
   98    93    96    66  -0.07550 -1.0 2.0
   98    93    96    66   0.20000  1.0 3.0
   98    93    96   104   0.62750  1.0 1.0
   98    93    96   104  -0.30950 -1.0 2.0
   98    93    96   104   0.27300  1.0 3.0
   89    69   -78    79   0.23400  1.0 3.0
   89    69   -78    82   0.02550  1.0 1.0
   89    69   -78    82  -0.02600 -1.0 2.0
   89    69   -78    82   1.20400  1.0 3.0
   89    69    93    90   0.02550  1.0 1.0
   89    69    93    90  -0.02600 -1.0 2.0
   89    69    93    90   1.20400  1.0 3.0
   89    69    93    96   0.02550  1.0 1.0
   89    69    93    96  -0.02600 -1.0 2.0
   89    69    93    96   1.20400  1.0 3.0
   89    69    93    98   0.02550  1.0 1.0
   89    69    93    98  -0.02600 -1.0 2.0
   89    69    93    98   1.20400  1.0 3.0
   89    78    82    83   0.23400  1.0 3.0
   89    78    82    84   0.23400  1.0 3.0
   89    78   -82    90   0.02550  1.0 1.0
   89    78   -82    90  -0.02600 -1.0 2.0
   89    78   -82    90   1.20400  1.0 3.0
   71    65    69    78   0.09850  1.0 1.0
   71    65    69    78   0.15250 -1.0 2.0
   71    65    69    78  -0.50650  1.0 3.0
   71    65    69    93   0.09850  1.0 1.0
   71    65    69    93   0.15250 -1.0 2.0
   71    65    69    93  -0.50650  1.0 3.0
   71    65    69    89   0.39000  1.0 1.0
   71    65    69    89  -0.05800 -1.0 2.0
   71    65    69    89  -0.55150  1.0 3.0
   59    53    57    58   0.15000  1.0 3.0
   59    53    57    65   0.34400  1.0 1.0
   59    53    57    65   0.09450 -1.0 2.0
   59    53    57    65   0.11100  1.0 3.0
   59    53    57    66   0.56750  1.0 1.0
   59    53    57    66  -0.07550 -1.0 2.0
   59    53    57    66   0.20000  1.0 3.0
   54    43    53    33   0.56750  1.0 1.0
   54    43    53    33  -0.07550 -1.0 2.0
   54    43    53    33   0.20000  1.0 3.0
   54    43    53    57   0.56750  1.0 1.0
   54    43    53    57  -0.07550 -1.0 2.0
   54    43    53    57   0.20000  1.0 3.0
   54    43    53    59   0.56750  1.0 1.0
   54    43    53    59  -0.07550 -1.0 2.0
   54    43    53    59   0.20000  1.0 3.0
   54    63    68    74   1.63150  1.0 1.0
   54    63    68    74   2.92000 -1.0 2.0
   55    54    63    64   0.00000  1.0 1.0
   55    54    63    68   0.00000  1.0 1.0
   56    54    63    64   0.00000  1.0 1.0
   56    54    63    68   0.00000  1.0 1.0
   63    68    74    75   0.08050  1.0 3.0
   63    68    74    76   0.08050  1.0 3.0
   63    68    74    77   0.08050  1.0 3.0
   64    63    68    74   3.00000 -1.0 2.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    53   0.56750  1.0 1.0
   45    42    43    53  -0.07550 -1.0 2.0
   45    42    43    53   0.20000  1.0 3.0
   45    42    43    54   0.56750  1.0 1.0
   45    42    43    54  -0.07550 -1.0 2.0
   45    42    43    54   0.20000  1.0 3.0
   45    42    49    50   0.15000  1.0 3.0
   45    42    49    51   0.15000  1.0 3.0
   45    42    49    52   0.15000  1.0 3.0
   49    42    43    44   0.15000  1.0 3.0
   49    42    43    53   0.56750  1.0 1.0
   49    42    43    53  -0.07550 -1.0 2.0
   49    42    43    53   0.20000  1.0 3.0
   49    42    43    54   0.56750  1.0 1.0
   49    42    43    54  -0.07550 -1.0 2.0
   49    42    43    54   0.20000  1.0 3.0
   49    42    45    46   0.15000  1.0 3.0
   49    42    45    47   0.15000  1.0 3.0
   49    42    45    48   0.15000  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   57    69    65    71   1.10000 -1.0 2.0
   94   108    92    90   4.00000 -1.0 2.0
  102    95    94    92   1.10000 -1.0 2.0
  105   103   102    94   1.10000 -1.0 2.0
  105   109   108    92   1.10000 -1.0 2.0
   70    85    80    81  10.50000 -1.0 2.0
  104   110   106   107  10.50000 -1.0 2.0
   72    73    71    65   1.10000 -1.0 2.0
   54    68    63    64  10.50000 -1.0 2.0
END
