* LIGAND DATABASE FILE (OPLS2005)
*
001     112   117    218    350     642
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02040   105.65762   -27.71977
    3     1 S   H    _H1_     3     1.02088    64.22463    75.84773
    4     1 S   H    _H2_     4     1.02107    48.21164  -128.96936
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   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   _C23    36     1.83125    97.86996   161.85576
   34    33 S   HC   _H3_    37     1.09487   104.63173    40.56749
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C20    38     1.54577   111.39301   -80.01015
   39    38 S   HC   _H49    39     1.09953   111.21067    -0.97679
   40    33 S   CT   _C21    85     1.53441   111.79669   157.23186
   41    40 S   HC   _H50    86     1.09509   111.94461   -56.55038
   42    38 S   CO4  _C12    40     1.52206   112.10511   115.13230
   43    42 S   O    _O34    41     1.22570   122.51566   -25.56508
   44    40 S   CO4  _C13    87     1.52519   108.20298    65.73225
   45    44 S   O    _O35    88     1.22786   122.56820  -119.92788
   46    42 S   CA   _C5_    42     1.47595   115.68739   158.46300
   47    62 S   CT   _C25    89     1.54781   111.37314    56.40356
   48    46 S   CA   _C8_    43     1.39220   119.12888    -5.24699
   49    47 S   OS   _O39    90     1.43779   106.17500  -164.67357
   50    47 S   CT   _C36   100     1.51868   116.36018    73.18813
   51    50 S   HC   _H76   101     1.09669   109.35998   -44.63129
   52    50 S   HC   _H77   102     1.09457   109.63350  -160.35953
   53    48 S   CA   _C6_    44     1.39600   119.68930   176.14817
   54    48 S   OS   _O38    78     1.36871   123.84978    -3.08712
   55    75 S   CT   _C27    91     1.56331   102.04772   159.71038
   56    50 S   CM   _C14   103     1.50273   111.41824    74.97771
   57    56 S   HC   _H44   104     1.08905   113.90091   -91.17075
   58    53 S   CA   _C7_    45     1.39803   120.16380     1.76481
   59    53 S   CT   _C35    64     1.49765   120.34458  -177.49821
   60    59 S   HC   _H74    65     1.10196   109.78502    -0.77430
   61    59 S   HC   _H75    66     1.09789   109.99768   113.12595
   62    38 S   CT   _C26    79     1.54977   111.59484  -122.70942
   63    55 S   CT   _C33    92     1.53306   115.72421  -147.25025
   64    63 S   HC   _H68    93     1.08725   109.51422   179.97202
   65    63 S   HC   _H69    94     1.08707   109.50533    60.03641
   66    63 S   HC   _H70    95     1.08695   109.58129   -59.97325
   67    55 S   CT   _C34    96     1.53551   112.78152    88.69542
   68    67 S   HC   _H71    97     1.08599   109.39341   180.00000
   69    67 S   HC   _H72    98     1.08590   109.38562    59.95701
   70    67 S   HC   _H73    99     1.08598   109.35708   -60.03651
   71    56 S   CM   _C17   105     1.34433   126.90437    89.70552
   72    58 S   CA   _C4_    46     1.39566   120.20007    -0.62181
   73    59 S   CM   _C15    67     1.50684   112.71590  -121.02744
   74    73 S   HC   _H45    68     1.09002   114.15396    32.49976
   75    62 S   CT   _C22    80     1.55531   116.16773   -53.30714
   76    75 S   HC   _H51    81     1.09554   113.95811   -81.86628
   77    71 S   CO4  _C16   106     1.48952   115.88097     0.03956
   78    77 S   O    _O36   107     1.22498   122.95936  -179.86152
   79    77 S   HC   _H46   108     1.10262   116.09909    -0.07913
   80    71 S   CT   _C28   109     1.49551   127.31571   179.15096
   81    80 S   HC   _H53   110     1.09552   110.40395    90.02467
   82    80 S   HC   _H54   111     1.09478   110.20878   -29.64690
   83    80 S   HC   _H55   112     1.09248   113.10915  -150.49663
   84    46 S   CA   _C9_    47     1.39842   120.46485   172.74507
   85    72 S   CM   _C10    50     1.45251   119.77782  -179.93744
   86    85 S   HC   _H42    51     1.08342   121.09707   179.40554
   87    73 S   CM   _C18    69     1.34660   127.98222  -148.59916
   88    75 S   CT   _C19    82     1.55239   107.63693    39.56983
   89    88 S   HC   _H47    83     1.09837   108.49799   -98.10650
   90    88 S   HC   _H48    84     1.09232   113.08880   146.34944
   91    84 S   OH   _O40    48     1.36624   120.98216     2.33423
   92    91 S   HO   _H78    49     0.96921   109.93864     0.48173
   93    85 S   CM   _C11    52     1.33542   118.26271    -0.74072
   94    93 S   HC   _H43    53     1.08680   118.83523  -179.86878
   95    87 S   CT   _C29    70     1.50320   125.28656   180.00000
   96    95 S   HC   _H56    71     1.09174   113.61778    89.98912
   97    95 S   HC   _H57    72     1.09520   110.03011  -150.07076
   98    95 S   HC   _H58    73     1.09516   110.02370   -30.86522
   99    87 S   CT   _C30    74     1.50596   120.39538    -0.47230
  100    99 S   HC   _H59    75     1.09532   112.40974    90.01820
  101    99 S   HC   _H60    76     1.09519   110.19634  -149.99631
  102    99 S   HC   _H61    77     1.09480   110.27516   -30.15316
  103    93 S   CT   _C24    54     1.51044   123.02855     0.11014
  104    58 S   OS   _O37    55     1.36653   116.15096   179.39445
  105   103 S   CT   _C31    56     1.53378   109.20382   121.10750
  106   105 S   HC   _H62    57     1.08637   109.48102   179.98022
  107   105 S   HC   _H63    58     1.08630   109.51247    59.93891
  108   105 S   HC   _H64    59     1.08681   109.45262   -60.07348
  109   103 S   CT   _C32    60     1.53394   109.21832  -119.02091
  110   109 S   HC   _H65    61     1.08709   109.47942  -179.95154
  111   109 S   HC   _H66    62     1.08679   109.50987    60.07714
  112   109 S   HC   _H67    63     1.08600   109.55131   -59.96193
  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  10   5   4   3
  17   8   2   1   1  18   8  14   7  11   4  14   5  11  16  13
  18  11   5   4  14   8  14  10   3  14   9   4   3   7  10   4
   3   2   6   3   2   1   7   9  10   3   4   3   6   2   1   3
   2   1   1   6   8   3   8   2   1   1   1   1  11   4   7   3
   2   1   3   2   1   1   9   8   7   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    62    88    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    54    62    75    88    89    90    40    41    44    45    47  
   38    39    42    62    88    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    84    54    62    75    76    88    40    41    44    47    49    55    50  
   42    43    46    54    62    75    40    47  
   41    44    45    47    49    55    50    42    62    75    76    88    89    90  
   44    45    47    75    88    89    90  
   43    46    48    53    72    84    91    54    62    75    47  
   46    48    84    62  
   45    47    49    55    50    51    52    56    54    62    75    88    89    90  
   47    49    50    62    88  
   48    53    58    72    84    91    92    85    59    54    62  
   49    55    63    67    50    51    52    56    57    71    48    54    62    75    76    88  
   53    58    72    84    91   104    59    60    61    73    54    62    75  
   55    63    64    65    66    67    68    69    70    50    51    52    56    54    62    75    76    88  
   51    52    56    57    71    77    80    54    55    62    75  
   52    56    57    71    62  
   56    57    71    62  
   58    72    84    85   103   104    59    60    61    73    74    87    54    62  
   62    75    76    88    55    58    59    84  
   63    64    65    66    67    68    69    70    62    75    76    88    89    90  
   57    71    77    78    79    80    81    82    83    62  
   71    77    80  
   72    84    91    85    86    93   103   104   105   109    59    60    61    73  
   60    61    73    74    87    95    99    72   104  
   61    73    74    87  
   73    74    87  
   75    76    88    89    90    63    67  
   64    65    66    67    68    69    70    75    76    88  
   65    66    67    75  
   66    67    75  
   67    75  
   68    69    70    75    76    88  
   69    70    75  
   70    75  
   75  
   77    78    79    80    81    82    83  
   84    91    92    85    86    93    94   103   104  
   74    87    95    96    97    98    99   100   101   102  
   87    95    99  
   76    88    89    90  
   88    89    90  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   91    92    85    86    93   104  
   86    93    94   103   104   105   109    91  
   93    94   103  
   95    96    97    98    99   100   101   102  
   89    90  
   90  
    0  
   92  
    0  
   94   103   104   105   106   107   108   109   110   111   112  
  103   104   105   109  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.005000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   79   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   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    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    62   268.000  1.529
   42    43   570.000  1.229
   42    46   310.000  1.470
   46    48   469.000  1.400
   46    84   469.000  1.400
   48    53   469.000  1.400
   48    54   450.000  1.364
   53    58   469.000  1.400
   53    59   317.000  1.510
   58    72   469.000  1.400
   58   104   450.000  1.364
   72    84   469.000  1.400
   72    85   320.000  1.460
   84    91   450.000  1.364
   91    92   553.000  0.945
   85    86   340.000  1.080
   85    93   549.000  1.340
   93    94   340.000  1.080
   93   103   317.000  1.510
  103   104   320.000  1.410
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    73   317.000  1.510
   73    74   340.000  1.080
   73    87   549.000  1.340
   87    95   317.000  1.510
   87    99   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   54    62   320.000  1.410
   62    75   268.000  1.529
   62    47   268.000  1.529
   75    76   340.000  1.090
   75    88   268.000  1.529
   75    55   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    40   268.000  1.529
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    49   320.000  1.410
   47    50   268.000  1.529
   49    55   320.000  1.410
   55    63   268.000  1.529
   55    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    57   340.000  1.080
   56    71   549.000  1.340
   71    77   320.000  1.462
   71    80   317.000  1.510
   77    78   570.000  1.229
   77    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    62    58.35000  112.70000
   33    40    88    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    46    65.00000  115.47100
   38    62    54    50.00000  109.50000
   38    62    75    58.35000  112.70000
   38    62    47    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    46    48    60.00000  119.52600
   42    46    84    60.00000  119.52600
   46    42    43    75.00000  123.78400
   46    48    53    63.00000  120.00000
   46    48    54    70.00000  120.00000
   46    84    72    63.00000  120.00000
   46    84    91    70.00000  120.00000
   48    53    58    63.00000  120.00000
   48    53    59    70.00000  120.00000
   48    54    62    75.00000  111.00000
   53    58    72    63.00000  120.00000
   53    58   104    70.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    73    70.00000  112.99600
   58    72    84    63.00000  120.00000
   58    72    85    60.00000  120.93500
   58   104   103    75.00000  111.00000
   72    84    91    70.00000  120.00000
   72    85    86    40.00000  117.26300
   72    85    93    60.00000  123.20500
   84    46    48    63.00000  120.00000
   84    91    92    35.00000  113.00000
   85    72    84    60.00000  120.93500
   85    93    94    35.00000  120.00000
   85    93   103    70.00000  124.00000
   93    85    86    35.00000  120.00000
   93   103   104    85.00000  110.90400
   93   103   105    70.00000  112.02700
   93   103   109    70.00000  112.02700
  103    93    94    35.00000  117.00000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  104    58    72    70.00000  120.00000
  105   103   104    50.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    50.00000  109.50000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   59    53    58    70.00000  120.00000
   59    73    74    35.00000  117.00000
   59    73    87    70.00000  124.00000
   61    59    60    33.00000  107.80000
   73    59    60    35.00000  109.50000
   73    59    61    35.00000  109.50000
   73    87    95    70.00000  124.00000
   73    87    99    70.00000  124.00000
   87    73    74    35.00000  120.00000
   87    95    96    35.00000  109.50000
   87    95    97    35.00000  109.50000
   87    95    98    35.00000  109.50000
   87    99   100    35.00000  109.50000
   87    99   101    35.00000  109.50000
   87    99   102    35.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    87    95    65.00000  117.92700
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   54    48    53    70.00000  120.00000
   54    62    75    50.00000  109.50000
   54    62    47    50.00000  109.50000
   62    38    39    37.50000  110.70000
   62    38    42    63.00000  111.10000
   62    75    76    37.50000  110.70000
   62    75    88    58.35000  112.70000
   62    75    55    58.35000  112.70000
   62    47    44    63.00000  111.10000
   62    47    49    50.00000  109.50000
   62    47    50    58.35000  112.70000
   75    88    89    37.50000  110.70000
   75    88    90    37.50000  110.70000
   75    88    40    58.35000  112.70000
   75    55    49    50.00000  109.50000
   75    55    63    58.35000  112.70000
   75    55    67    58.35000  112.70000
   88    75    76    37.50000  110.70000
   88    40    41    37.50000  110.70000
   88    40    44    63.00000  111.10000
   90    88    89    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    88    89    37.50000  110.70000
   40    88    90    37.50000  110.70000
   40    44    45    80.00000  120.40000
   40    44    47    70.00000  116.00000
   44    40    41    35.00000  109.50000
   44    47    49    90.00000  108.74100
   44    47    50    63.00000  111.10000
   47    62    75    58.35000  112.70000
   47    44    45    80.00000  120.40000
   47    49    55    60.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    56    70.00000  112.02700
   49    55    63    50.00000  109.50000
   49    55    67    50.00000  109.50000
   55    75    76    37.50000  110.70000
   55    75    88    58.35000  112.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   50    47    49    50.00000  109.50000
   50    56    57    35.00000  117.00000
   50    56    71    70.00000  124.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    71    77    65.00000  118.96000
   56    71    80    70.00000  124.00000
   71    56    57    35.00000  120.00000
   71    77    78    80.00000  123.72100
   71    77    79    40.00000  115.75000
   71    80    81    35.00000  109.50000
   71    80    82    35.00000  109.50000
   71    80    83    35.00000  109.50000
   79    77    78    35.00000  123.00000
   80    71    77    65.00000  116.34900
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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
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   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33   -38    62   0.56750  1.0 1.0
   40    33   -38    62  -0.07550 -1.0 2.0
   40    33   -38    62   0.20000  1.0 3.0
   40    44   -47    62   0.60050  1.0 1.0
   40    44   -47    62   0.05600 -1.0 2.0
   40    44   -47    62   0.26150  1.0 3.0
   40    44    47    49   0.55300  1.0 1.0
   40    44    47    49   1.25850 -1.0 2.0
   40    44    47    49  -0.23600  1.0 3.0
   40    44    47    50   0.60050  1.0 1.0
   40    44    47    50   0.05600 -1.0 2.0
   40    44    47    50   0.26150  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    47   0.00000  1.0 1.0
   44    47    49    55  -1.11000  1.0 1.0
   44    47    49    55   0.50250 -1.0 2.0
   44    47    49    55   0.47450  1.0 3.0
   44    47    50    51  -0.11250  1.0 3.0
   44    47    50    52  -0.11250  1.0 3.0
   44    47    50    56  -0.98800  1.0 1.0
   44    47    50    56   0.48800 -1.0 2.0
   44    47    50    56   0.76800  1.0 3.0
   45    44    47    62   0.30150 -1.0 2.0
   45    44    47    49   0.30150 -1.0 2.0
   45    44    47    50   0.30150 -1.0 2.0
   47    62    75    76   0.15000  1.0 3.0
   47    62   -75    88   0.56750  1.0 1.0
   47    62   -75    88  -0.07550 -1.0 2.0
   47    62   -75    88   0.20000  1.0 3.0
   47    62   -75    55   0.56750  1.0 1.0
   47    62   -75    55  -0.07550 -1.0 2.0
   47    62   -75    55   0.20000  1.0 3.0
   47    49   -55    75   0.06250  1.0 1.0
   47    49   -55    75  -0.01100 -1.0 2.0
   47    49   -55    75   0.28050  1.0 3.0
   47    49    55    63   0.06250  1.0 1.0
   47    49    55    63  -0.01100 -1.0 2.0
   47    49    55    63   0.28050  1.0 3.0
   47    49    55    67   0.06250  1.0 1.0
   47    49    55    67  -0.01100 -1.0 2.0
   47    49    55    67   0.28050  1.0 3.0
   47    50    56    57   0.00000  1.0 1.0
   47    50    56    71   0.09850  1.0 1.0
   47    50    56    71   0.15250 -1.0 2.0
   47    50    56    71  -0.50650  1.0 3.0
   49    47    50    51   0.23400  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   49    47    50    56   0.61850  1.0 1.0
   49    47    50    56  -0.22750 -1.0 2.0
   49    47    50    56   0.15300  1.0 3.0
   49    55    63    64   0.23400  1.0 3.0
   49    55    63    65   0.23400  1.0 3.0
   49    55    63    66   0.23400  1.0 3.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    70   0.23400  1.0 3.0
   55    75    88    89   0.15000  1.0 3.0
   55    75    88    90   0.15000  1.0 3.0
   55    75    88    40   0.56750  1.0 1.0
   55    75    88    40  -0.07550 -1.0 2.0
   55    75    88    40   0.20000  1.0 3.0
   63    55    67    68   0.15000  1.0 3.0
   63    55    67    69   0.15000  1.0 3.0
   63    55    67    70   0.15000  1.0 3.0
   67    55    63    64   0.15000  1.0 3.0
   67    55    63    65   0.15000  1.0 3.0
   67    55    63    66   0.15000  1.0 3.0
   50    47    49    55   0.06250  1.0 1.0
   50    47    49    55  -0.01100 -1.0 2.0
   50    47    49    55   0.28050  1.0 3.0
   50    56    71    77   7.00000 -1.0 2.0
   50    56    71    80   7.00000 -1.0 2.0
   51    50    56    57   0.33100  1.0 3.0
   51    50    56    71   0.00000  1.0 1.0
   52    50    56    57   0.33100  1.0 3.0
   52    50    56    71   0.00000  1.0 1.0
   56    71    77    78   1.00000 -1.0 2.0
   56    71    77    79  -0.79650  1.0 1.0
   56    71    77    79   1.60950 -1.0 2.0
   56    71    77    79  -0.26250  1.0 3.0
   56    71    80    81   0.00000  1.0 1.0
   56    71    80    82   0.00000  1.0 1.0
   56    71    80    83   0.00000  1.0 1.0
   57    56    71    77   7.00000 -1.0 2.0
   57    56    71    80   7.00000 -1.0 2.0
   77    71    80    81   0.15000  1.0 3.0
   77    71    80    82   0.15000  1.0 3.0
   77    71    80    83   0.15000  1.0 3.0
   80    71    77    78  -0.64400  1.0 1.0
   80    71    77    78   0.26850 -1.0 2.0
   80    71    77    79  -0.07900  1.0 1.0
   80    71    77    79   0.77700 -1.0 2.0
   80    71    77    79   0.13200  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
   38    46    42    43  10.50000 -1.0 2.0
   48    84    46    42   4.00000 -1.0 2.0
   53    54    48    46   4.00000 -1.0 2.0
   58    59    53    48   4.00000 -1.0 2.0
   72   104    58    53   4.00000 -1.0 2.0
   84    85    72    58   4.00000 -1.0 2.0
   72    91    84    46   4.00000 -1.0 2.0
   72    86    85    93   1.10000 -1.0 2.0
  103    94    93    85   1.10000 -1.0 2.0
   59    74    73    87  15.00000 -1.0 2.0
   95    99    87    73  15.00000 -1.0 2.0
   40    47    44    45  10.50000 -1.0 2.0
   50    57    56    71  15.00000 -1.0 2.0
   77    80    71    56  15.00000 -1.0 2.0
   71    79    77    78  10.50000 -1.0 2.0
END
