* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    208    333     623
    1     0 S   NP   _N1_     1    28.65821    95.24451   -19.94318
    2     1 S   H    _HN1     2     1.02781    79.37940   -69.21307
    3     1 S   H    _H1_     3     1.02960    95.20145    38.46737
    4     1 S   H    _H2_     4     1.02839    36.77453   150.21975
    5     1 S   CT   _CA1     5     1.50096   145.32830   176.89278
    6     5 S   HC   _HA1     6     1.09571   105.29418    42.57649
    7     5 S   CO3  _C1_     7     1.53845   112.28117   -77.76965
    8     7 S   O2Z  _O11     8     1.26360   115.02569   -46.61621
    9     7 S   O2Z  _O12     9     1.26237   114.90572   132.61042
   10     5 S   CT   _CB1    10     1.53090   107.44742   160.54163
   11    10 S   HC   HB11    11     1.09818   109.50908   -50.31914
   12    10 S   HC   HB12    12     1.09831   110.36045    66.27384
   13    10 S   CT   _CG1    13     1.53000   112.58941  -171.43794
   14    13 S   HC   HG11    14     1.09554   110.33402   -58.85133
   15    13 S   HC   HG12    15     1.09623   110.17466    60.23913
   16    13 S   C    _CD1    16     1.51798   112.08451  -179.56614
   17    16 S   O    _OE1    17     1.22730   123.14484   -13.36284
   18    16 S   N    _N2_    18     1.38587   111.72625   167.26437
   19    18 S   H    _HN2    19     1.01584   119.03139     1.35364
   20    18 S   CT1  _CA2    20     1.46134   123.41120  -178.07278
   21    20 S   HC   _HA2    21     1.09736   109.34738   -14.43133
   22    20 S   C    _C2_    22     1.53456   108.07777  -130.03385
   23    22 S   O    _O2_    23     1.23007   122.31249  -144.76255
   24    20 S   CT   _CB2    32     1.53685   111.68109   107.74294
   25    24 S   HC   HB21    33     1.09239   109.84161    56.95395
   26    24 S   HC   HB22    34     1.09418   109.15607   174.72196
   27    22 S   N    _N3_    24     1.38531   113.30165    42.46560
   28    27 S   H    _HN3    25     1.01534   118.89972    -0.55532
   29    24 S   S    _SG2    35     1.83284   111.65777   -66.44344
   30    27 S   CT   _CA3    26     1.45456   123.48964   175.23984
   31    30 S   HC   HA31    27     1.09520   109.28683    23.28426
   32    30 S   HC   HA32    28     1.09497   107.10515   140.29075
   33    29 S   CT   _C16    36     1.91912   103.47037   155.26934
   34    30 S   CO3  _C3_    29     1.52923   113.09721  -100.23474
   35    34 S   O2Z  _O31    30     1.26404   115.39583   -44.59888
   36    34 S   O2Z  _O32    31     1.26354   114.98817   136.34048
   37    33 S   CT   _C17    37     1.59660   103.07738   156.09485
   38    37 S   HC   _H6_    38     1.09708   108.89636   -50.47179
   39    33 S   CT   _C15    71     1.58423   108.66316    41.80419
   40    39 S   HC   _H5_    72     1.09481   109.69578   -77.11923
   41    37 S   CT   _C18    39     1.55183   113.21974    65.61919
   42    41 S   HC   _H18    40     1.09836   109.13010   -86.20964
   43    41 S   HC   _H19    41     1.09462   110.81535   160.02609
   44    37 S   CT   _C12    59     1.55011   110.19728  -167.03483
   45    44 S   HC   _H4_    60     1.09523   107.44821   -57.17130
   46    39 S   OH   _O37    73     1.43456   110.73557    38.92108
   47    46 S   HO   _H28    74     0.97251   107.83675  -171.33000
   48    41 S   CT   _C19    42     1.52534   115.34319    35.21276
   49    48 S   HC   _H20    43     1.09590   110.14565  -100.55700
   50    48 S   HC   _H21    44     1.09722   109.05170   144.57704
   51    44 S   CT   _C11    61     1.52230   118.77613  -176.64812
   52    51 S   HC   _H14    62     1.09577   111.38764   -48.63575
   53    51 S   HC   _H15    63     1.09514   112.18560    71.93002
   54    48 S   CM   _C20    45     1.49925   110.69536    21.09554
   55    51 S   CT   _C10    64     1.54885   103.76505  -169.52546
   56    55 S   HC   _H3_    65     1.09849   105.69983   -95.68851
   57    54 S   CM   _C21    46     1.34356   119.94842   112.46184
   58    57 S   HC   _H22    47     1.08468   122.04933     3.23440
   59    55 S   CT   _C9_    66     1.58295   106.38414    19.67637
   60    55 S   CT   _C28   104     1.52338   110.04518   150.23941
   61    60 S   HC   _H32   105     1.09364   112.26545   -64.66966
   62    60 S   HC   _H33   106     1.09427   111.04360   172.91950
   63    60 S   HC   _H34   107     1.09609   110.20348    54.70098
   64    57 S   CO4  _C22    48     1.47610   121.34192  -173.62139
   65    64 S   O    _O36    49     1.22587   121.24893  -178.09968
   66    44 S   CT   _C13    67     1.54902   114.17603    62.17683
   67    59 S   CO4  _C8_    79     1.55481   118.93892   134.80378
   68    67 S   O    _O35    80     1.23162   122.62391   -12.88598
   69    59 S   OS   _O38    94     1.46126   106.81739  -103.06564
   70    64 S   CM   _C23    50     1.47383   117.57720     3.14492
   71    70 S   HC   _H23    51     1.08366   117.78086   177.57804
   72    66 S   CT   _C14    68     1.54773   106.81787   -59.83098
   73    72 S   HC   _H16    69     1.09099   110.11860   -70.83481
   74    72 S   HC   _H17    70     1.09538   109.28199   173.86148
   75    66 S   CT   _C27    75     1.55524   113.26822    62.01064
   76    75 S   HC   _H29    76     1.09352   112.57749    70.69245
   77    75 S   HC   _H30    77     1.09083   113.57856   -49.66908
   78    75 S   HC   _H31    78     1.09569   110.78619  -169.91560
   79    67 S   CT   _C7_    81     1.52359   117.65254   169.71409
   80    79 S   HC   _H12    82     1.09296   108.55562    83.32297
   81    79 S   HC   _H13    83     1.09244   110.69737   -38.71904
   82    69 S   CO4  _C29    95     1.36665   120.16699   -69.27321
   83    82 S   O    _O39    96     1.22232   125.92533    -0.66647
   84    70 S   CM   _C24    52     1.33798   120.64235    -4.00340
   85    84 S   HC   _H24    53     1.08780   116.72552  -176.09244
   86    79 S   OS   _O34    84     1.43074   108.34397  -158.34362
   87    82 S   CT   _C30    97     1.50956   108.82396   178.95657
   88    87 S   HC   _H35    98     1.09425   108.31732   -67.70083
   89    87 S   HC   _H36    99     1.09534   108.60840    50.74732
   90    33 S   CT   _C25    54     1.64981   111.01663   -85.43390
   91    86 S   CO4  _C6_    85     1.36511   115.26721   179.71196
   92    91 S   O    _O33    86     1.22320   125.67201     0.11191
   93    87 S   CT   _C31   100     1.51823   112.02913   171.26293
   94    93 S   HC   _H37   101     1.09510   111.01656   -59.08094
   95    93 S   HC   _H38   102     1.09507   111.06415    60.83975
   96    93 S   HC   _H39   103     1.09429   110.38622  -179.16514
   97    90 S   CT   _C26    55     1.55543   115.15641    19.15732
   98    97 S   HC   _H25    56     1.09358   113.19196   -60.04533
   99    97 S   HC   _H26    57     1.09986   111.28242  -178.35313
  100    97 S   HC   _H27    58     1.09383   112.12549    63.36737
  101    91 S   CT   _C5_    87     1.51023   108.98277  -179.87967
  102   101 S   HC   _H10    88     1.09511   108.45431   -59.31780
  103   101 S   HC   _H11    89     1.09513   108.45320    59.09328
  104   101 S   CT   _C4_    90     1.51860   112.08471   179.87646
  105   104 S   HC   _H7_    91     1.09510   111.04426   -59.94258
  106   104 S   HC   _H8_    92     1.09510   111.04511    59.98147
  107   104 S   HC   _H9_    93     1.09431   110.39182  -179.97202
  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
  27   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  14   6   5  12  14   8   8   4  22   6   2   1   1   6
   3  12  10   5   9   5   3   7   2   1   3   2   1   1   6   3
   2   8   4   6   2   6   6   5   4   4   8   4   3   2   1   1
   3   2   1   1   6   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    90    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    84    90    97    44    72    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    70    84    85    90    97    98    99   100    44    45    51    66    72    73    74    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    84    90    97    44    45    51    52    53    55    59    66    72    39    40    46    75  
   41    42    43    48    90    44    45    51    66    39  
   40    46    47    75    41    44    54    59    66    72    73    74    84    90    97  
   46    47    66    72    73    74    90  
   42    43    48    49    50    54    57    90    44    45    51    66  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    66    72    73    74    75    76    77    78    67    69    60    48    90  
   51    52    53    55    59    66    72    75  
   47    66    72    73    74    90  
   72  
   49    50    54    57    58    64    84    90    97  
   50    54    57    90  
   54    57    90  
   52    53    55    56    59    66    72    75    67    69    60    61    62    63  
   53    55    56    59    66    60  
   55    56    59    66    60  
   57    58    64    65    70    84    85    90    97    98    99   100  
   56    59    66    72    75    67    68    79    69    82    60    61    62    63  
   59    66    67    69    60    61    62    63  
   58    64    65    70    71    84    90    97  
   64    65    70    90  
   66    72    73    74    75    76    77    78    67    68    79    80    81    86    69    82    83    87    60    61    62    63  
   61    62    63    66    67    69  
   62    63  
   63  
    0  
   65    70    71    84    85    90  
   70    71    84  
   72    73    74    75    76    77    78    67    68    79    69    82  
   68    79    80    81    86    91    69    82    72    75  
   79    80    81    86    69  
   82    83    87    88    89    93    72    75    79  
   71    84    85    90    97  
   84    85    90  
   73    74    75    76    77    78    90  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    86    91    92   101  
   81    86    91  
   86    91  
   83    87    88    89    93    94    95    96  
   87    88    89    93  
   85    90    97    98    99   100  
   90    97  
   91    92   101   102   103   104  
   88    89    93    94    95    96  
   89    93    94    95    96  
   93    94    95    96  
   97    98    99   100  
   92   101   102   103   104   105   106   107  
  101   102   103   104  
   94    95    96  
   95    96  
   96  
    0  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   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   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    90   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    90   317.000  1.510
   57    58   340.000  1.080
   57    64   320.000  1.462
   64    65   570.000  1.229
   64    70   320.000  1.462
   70    71   340.000  1.080
   70    84   549.000  1.340
   84    85   340.000  1.080
   84    90   317.000  1.510
   90    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    66   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    60   268.000  1.529
   59    66   268.000  1.529
   59    67   317.000  1.522
   59    69   320.000  1.410
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   67    68   570.000  1.229
   67    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   320.000  1.410
   86    91   214.000  1.327
   91    92   570.000  1.229
   91   101   317.000  1.522
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   69    82   214.000  1.327
   82    83   570.000  1.229
   82    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    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    90    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    90    54    70.00000  112.02700
   33    90    84    70.00000  112.02700
   33    90    97    58.35000  112.70000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    66    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    90    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    64    65.00000  118.96000
   54    90    84    70.00000  110.12100
   54    90    97    70.00000  112.02700
   57    64    65    80.00000  123.72100
   57    64    70    65.00000  118.65900
   64    57    58    40.00000  117.72500
   64    70    71    40.00000  117.72500
   64    70    84    65.00000  118.96000
   70    64    65    80.00000  123.72100
   70    84    85    35.00000  120.00000
   70    84    90    70.00000  124.00000
   84    70    71    35.00000  120.00000
   84    90    97    70.00000  112.02700
   90    33    37    58.35000  112.70000
   90    54    57    70.00000  124.00000
   90    84    85    35.00000  117.00000
   90    97    98    37.50000  110.70000
   90    97    99    37.50000  110.70000
   90    97   100    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    66    59    58.35000  112.70000
   44    66    72    58.35000  112.70000
   44    66    75    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    66    58.35000  112.70000
   55    59    67    63.00000  111.10000
   55    59    69    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   59    55    56    37.50000  110.70000
   59    66    72    58.35000  112.70000
   59    66    75    58.35000  112.70000
   59    67    68    80.00000  120.40000
   59    67    79    70.00000  116.00000
   59    69    82    83.00000  116.90000
   66    44    45    37.50000  110.70000
   66    44    51    58.35000  112.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    39    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    78    37.50000  110.70000
   72    39    40    37.50000  110.70000
   72    39    46    50.00000  109.50000
   74    72    73    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    90    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    72    74    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   75    66    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    59    66    63.00000  111.10000
   67    79    80    35.00000  109.50000
   67    79    81    35.00000  109.50000
   67    79    86    90.00000  108.74100
   79    67    68    80.00000  120.40000
   79    86    91    83.00000  116.90000
   81    79    80    33.00000  107.80000
   86    79    80    35.00000  109.50000
   86    79    81    35.00000  109.50000
   86    91    92    83.00000  123.40000
   86    91   101    81.00000  111.40000
   91   101   102    35.00000  109.50000
   91   101   103    35.00000  109.50000
   91   101   104    63.00000  111.10000
  101    91    92    80.00000  120.40000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   69    59    66    50.00000  109.50000
   69    59    67    90.00000  108.74100
   69    82    83    83.00000  123.40000
   69    82    87    81.00000  111.40000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    93    63.00000  111.10000
   87    82    83    80.00000  120.40000
   87    93    94    37.50000  110.70000
   87    93    95    37.50000  110.70000
   87    93    96    37.50000  110.70000
   89    87    88    33.00000  107.80000
   93    87    88    37.50000  110.70000
   93    87    89    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    59    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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
   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
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   75    66    72    73   0.15000  1.0 3.0
   75    66    72    74   0.15000  1.0 3.0
   75    66    72    39   0.56750  1.0 1.0
   75    66    72    39  -0.07550 -1.0 2.0
   75    66    72    39   0.20000  1.0 3.0
   67    59    66    44  -0.95700  1.0 1.0
   67    59    66    44  -0.18200 -1.0 2.0
   67    59    66    44   0.29450  1.0 3.0
   67    59    66    72  -0.95700  1.0 1.0
   67    59    66    72  -0.18200 -1.0 2.0
   67    59    66    72   0.29450  1.0 3.0
   67    59    66    75  -0.95700  1.0 1.0
   67    59    66    75  -0.18200 -1.0 2.0
   67    59    66    75   0.29450  1.0 3.0
   67    59    69    82  -1.80650  1.0 1.0
   67    59    69    82   0.63900 -1.0 2.0
   67    59    69    82   0.03650  1.0 3.0
   67    79    86    91  -1.80650  1.0 1.0
   67    79    86    91   0.63900 -1.0 2.0
   67    79    86    91   0.03650  1.0 3.0
   68    67    79    80   0.00000  1.0 1.0
   68    67    79    81   0.00000  1.0 1.0
   68    67    79    86   0.30150 -1.0 2.0
   79    86    91    92   3.00000 -1.0 2.0
   79    86    91   101   1.63150  1.0 1.0
   79    86    91   101   2.92000 -1.0 2.0
   80    79    86    91   0.08050  1.0 3.0
   81    79    86    91   0.08050  1.0 3.0
   86    91   101   102   0.00000  1.0 1.0
   86    91   101   103   0.00000  1.0 1.0
   86    91   101   104   0.36750  1.0 3.0
   91   101   104   105  -0.11250  1.0 3.0
   91   101   104   106  -0.11250  1.0 3.0
   91   101   104   107  -0.11250  1.0 3.0
   92    91   101   102   0.00000  1.0 1.0
   92    91   101   103   0.00000  1.0 1.0
   92    91   101   104   0.30150 -1.0 2.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   107   0.15000  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   107   0.15000  1.0 3.0
   69    59    66    44   0.62750  1.0 1.0
   69    59    66    44  -0.30950 -1.0 2.0
   69    59    66    44   0.27300  1.0 3.0
   69    59    66    72   0.62750  1.0 1.0
   69    59    66    72  -0.30950 -1.0 2.0
   69    59    66    72   0.27300  1.0 3.0
   69    59    66    75   0.62750  1.0 1.0
   69    59    66    75  -0.30950 -1.0 2.0
   69    59    66    75   0.27300  1.0 3.0
   69    59    67    68   0.30150 -1.0 2.0
   69    59    67    79   0.55300  1.0 1.0
   69    59    67    79   1.25850 -1.0 2.0
   69    59    67    79  -0.23600  1.0 3.0
   69    82    87    88   0.00000  1.0 1.0
   69    82    87    89   0.00000  1.0 1.0
   69    82    87    93   0.36750  1.0 3.0
   82    87    93    94  -0.11250  1.0 3.0
   82    87    93    95  -0.11250  1.0 3.0
   82    87    93    96  -0.11250  1.0 3.0
   83    82    87    88   0.00000  1.0 1.0
   83    82    87    89   0.00000  1.0 1.0
   83    82    87    93   0.30150 -1.0 2.0
   88    87    93    94   0.15000  1.0 3.0
   88    87    93    95   0.15000  1.0 3.0
   88    87    93    96   0.15000  1.0 3.0
   89    87    93    94   0.15000  1.0 3.0
   89    87    93    95   0.15000  1.0 3.0
   89    87    93    96   0.15000  1.0 3.0
   60    55    59    66   0.56750  1.0 1.0
   60    55    59    66  -0.07550 -1.0 2.0
   60    55    59    66   0.20000  1.0 3.0
   60    55    59    67  -0.95700  1.0 1.0
   60    55    59    67  -0.18200 -1.0 2.0
   60    55    59    67   0.29450  1.0 3.0
   60    55    59    69   0.62750  1.0 1.0
   60    55    59    69  -0.30950 -1.0 2.0
   60    55    59    69   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    90    54    57   1.10000 -1.0 2.0
   64    58    57    54   1.10000 -1.0 2.0
   57    70    64    65  10.50000 -1.0 2.0
   64    71    70    84   1.10000 -1.0 2.0
   90    85    84    70   1.10000 -1.0 2.0
   59    79    67    68  10.50000 -1.0 2.0
   86   101    91    92  10.50000 -1.0 2.0
   69    87    82    83  10.50000 -1.0 2.0
END
