* LIGAND DATABASE FILE (OPLS2005)
*
001     115   117    219    329     642
    1     0 S   NP   _N1_     1    29.07611    97.79467   -19.39975
    2     1 S   H    _HN1     2     1.02962    84.36327    44.10355
    3     1 S   H    _H1_     3     1.02848    46.56000   164.17119
    4     1 S   H    _H2_     4     1.02793    77.55338   -65.98681
    5     1 S   CT   _CA1     5     1.50106   156.99020   176.09470
    6     5 S   HC   _HA1     6     1.09600   105.20552    50.19549
    7     5 S   CO3  _C1_     7     1.53670   112.11859   -69.64177
    8     7 S   O2Z  _O11     8     1.26326   115.11027   -53.77571
    9     7 S   O2Z  _O12     9     1.26235   114.80130   125.41837
   10     5 S   CT   _CB1    10     1.53109   107.38061   167.56784
   11    10 S   HC   HB11    11     1.09816   108.91965   -54.21077
   12    10 S   HC   HB12    12     1.09817   110.61628    62.13427
   13    10 S   CT   _CG1    13     1.53051   112.80265  -175.53946
   14    13 S   HC   HG11    14     1.09569   110.22174   -66.44819
   15    13 S   HC   HG12    15     1.09646   110.15498    52.65623
   16    13 S   C    _CD1    16     1.51900   112.23432   172.56027
   17    16 S   O    _OE1    17     1.22745   123.13891   -10.50174
   18    16 S   N    _N2_    18     1.38615   111.85106   170.70460
   19    18 S   H    _HN2    19     1.01586   119.04042    -0.62338
   20    18 S   CT1  _CA2    20     1.46291   123.36066   178.41848
   21    20 S   HC   _HA2    21     1.09741   109.26123   -15.16596
   22    20 S   C    _C2_    22     1.53482   108.05985  -130.60616
   23    22 S   O    _O2_    23     1.23009   122.30324  -145.69142
   24    20 S   CT   _CB2    32     1.53482   111.87605   107.14228
   25    24 S   HC   HB21    33     1.09545   109.79334    54.40593
   26    24 S   HC   HB22    34     1.09456   110.14412   173.25861
   27    22 S   N    _N3_    24     1.38530   113.33857    41.63416
   28    27 S   H    _HN3    25     1.01527   118.91722    -0.47395
   29    24 S   S    _SG2    35     1.82760   111.89026   -67.08858
   30    27 S   CT   _CA3    26     1.45450   123.45750   175.18749
   31    30 S   HC   HA31    27     1.09522   109.24765    24.14628
   32    30 S   HC   HA32    28     1.09496   107.11542   141.15600
   33    29 S   CT   _C28    36     1.84056   100.02316   164.87572
   34    33 S   HC   _H11    37     1.09444   106.88237   -45.02520
   35    30 S   CO3  _C3_    29     1.52926   113.11651   -99.33743
   36    35 S   O2Z  _O31    30     1.26402   115.40987   -44.09754
   37    35 S   O2Z  _O32    31     1.26355   114.97777   136.83482
   38    33 S   CT   _C29    38     1.52899   110.05754    71.73350
   39    38 S   HC   _H35    39     1.09508   112.35758    55.89139
   40    38 S   HC   _H36    40     1.09498   111.40336   -65.25809
   41    38 S   HC   _H37    41     1.09568   110.40973   176.25932
   42    33 S   CT   _C26    42     1.54788   112.10401  -162.73751
   43    42 S   HC   _H10    43     1.09969   108.16573   177.14556
   44    42 S   CO4  _C25    44     1.52603   111.62832    61.32704
   45    44 S   O    _O40    45     1.22445   124.56762  -112.35384
   46    42 S   CT   _C27   112     1.53295   114.88106   -64.90693
   47    46 S   HC   _H32   113     1.09453   112.22807    61.50936
   48    46 S   HC   _H33   114     1.09399   111.43363   -60.22031
   49    46 S   HC   _H34   115     1.09628   110.39059  -179.24127
   50    44 S   OS   _O39    46     1.36770   110.00073    68.81938
   51    50 S   CT   _C13    47     1.43597   116.31400   176.97767
   52    51 S   HC   _H6_    48     1.09605   111.68963    38.37869
   53    51 S   CM   _C14    49     1.50161   109.14775   -86.50982
   54    53 S   HC   _H22    50     1.08108   123.79494    40.35826
   55    53 S   CM   _C15    51     1.34085   111.49000  -136.67347
   56    55 S   CT   _C16    52     1.52601   111.12124    -4.86848
   57    56 S   HC   _H7_    53     1.09396   110.09012   142.50728
   58    55 S   CT   _C24   108     1.48835   126.04945   174.31328
   59    58 S   HC   _H29   109     1.09237   111.67911   113.14814
   60    58 S   HC   _H30   110     1.09527   111.29281    -6.97716
   61    58 S   HC   _H31   111     1.09452   110.18123  -126.16439
   62    51 S   CT   _C12    54     1.55057   110.93302   164.34368
   63    62 S   HC   _H5_    55     1.10258   104.98610    41.91185
   64    56 S   CT   _C17    64     1.54733   107.91248   -94.83068
   65    64 S   HC   _H8_    65     1.09793   108.89955    58.96930
   66    62 S   CT   _C11    56     1.55475   117.60189   -73.40348
   67    64 S   OS   _O36    66     1.44924   110.26407   -56.23414
   68    66 S   CT   _C10    57     1.54405   114.41428   -83.97769
   69    68 S   HC   _H20    58     1.09902   108.28434   169.96701
   70    68 S   HC   _H21    59     1.09585   110.39077    55.46403
   71    67 S   CO4  _C20    67     1.36269   112.73800  -116.52233
   72    71 S   O    _O35    68     1.22147   124.40076  -177.46503
   73    66 S   CT   _C30    97     1.53967   113.27945    38.24702
   74    73 S   HC   _H38    98     1.09185   111.91286    52.28428
   75    73 S   HC   _H39    99     1.09444   111.57034   -69.21297
   76    73 S   HC   _H40   100     1.09660   110.91763   170.29402
   77    66 S   OS   _O41   101     1.46988   109.48288   159.22644
   78    68 S   CT   _C9_    60     1.53463   113.86310   -70.50339
   79    78 S   HC   _H4_    61     1.09230   111.24499   -29.59375
   80    83 S   CT   _C19    69     1.53949   115.45119  -170.92344
   81    77 S   CO4  _C31   102     1.35951   123.92171   -66.77586
   82    81 S   O    _O42   103     1.22221   127.20436     0.07662
   83    78 S   CT   _C18    62     1.52206   112.05667    94.05744
   84    83 S   HC   _H9_    63     1.09987   105.67447    71.65071
   85    80 S   CT   _C21    70     1.53341   115.35781    41.79659
   86    85 S   HC   _H23    71     1.09523   111.48616   -69.93005
   87    85 S   HC   _H24    72     1.09739   110.29026   173.00294
   88    85 S   HC   _H25    73     1.09301   112.83188    53.12400
   89    80 S   OS   _O37    74     1.43623   112.50130   -78.95177
   90    78 S   OS   _O34    81     1.44918   109.02257  -148.98025
   91    81 S   CT   _C32   104     1.49908   109.03688   179.96044
   92    91 S   HC   _H41   105     1.09302   109.80416   -60.84459
   93    91 S   HC   _H42   106     1.09376   109.39149  -179.90309
   94    91 S   HC   _H43   107     1.09297   109.82439    61.01726
   95    89 S   CO4  _C22    75     1.36230   120.79663   -68.55473
   96    95 S   O    _O38    76     1.22279   126.83787    -1.62196
   97    90 S   CO4  _C8_    82     1.36223   117.78249    84.76834
   98    97 S   O    _O33    83     1.22403   125.97603    -0.39366
   99    95 S   CT   _C23    77     1.49846   109.34147   177.43837
  100    99 S   HC   _H26    78     1.09258   109.68680   -69.02917
  101    99 S   HC   _H27    79     1.09375   109.35278   171.54762
  102    99 S   HC   _H28    80     1.09315   109.99647    52.86749
  103    97 S   CT   _C6_    84     1.51745   109.54931  -179.91153
  104   103 S   HC   _H3_    85     1.09751   109.15183    -7.37315
  105   103 S   CT   _C7_    86     1.52600   108.43084   110.41490
  106   105 S   HC   _H17    87     1.09572   111.41202    62.72523
  107   105 S   HC   _H18    88     1.09484   110.85831  -176.80733
  108   105 S   HC   _H19    89     1.09567   110.79783   -56.87269
  109   103 S   CT   _C5_    90     1.53395   110.79168  -127.12294
  110   109 S   HC   _H15    91     1.09679   109.42614  -172.69983
  111   109 S   HC   _H16    92     1.09684   110.53262   -55.22245
  112   109 S   CT   _C4_    93     1.52347   112.52286    66.77723
  113   112 S   HC   _H12    94     1.09413   111.50057   -62.58022
  114   112 S   HC   _H13    95     1.09464   110.08201   177.81018
  115   112 S   HC   _H14    96     1.09433   110.98849    58.33067
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  14   7  12   4  13  19   8   5   2   1   1  16   5  14
   6  15   8  15   7   6  11   4   6   3   2   1   7  10   5  11
   5   4   9   3   5   3   2   1   6   6   3   2   1   1   5   4
  11   4   3   2   1   1  12   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    62    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56    62    63    66  
   52    53    54    55    56    57    62    63    66    68    64    73    77    58  
   53    54    55    56    62    63    66  
   54    55    56    57    62    63    66    64    58    59    60    61  
   55    56    62    58  
   56    57    62    63    66    83    64    65    67    58    59    60    61  
   57    62    63    66    68    78    83    84    64    65    67    71    80    73    77    58    59    60    61  
   62    63    66    83    64    65    67    58  
   59    60    61    62    64  
   60    61  
   61  
    0  
   63    66    68    69    70    78    83    64    65    67    73    74    75    76    77    81  
   66    68    64    73    77  
   65    67    71    72    80    85    89    90    66    68    78    79    83    84  
   67    71    80    78    83    84  
   68    69    70    78    79    83    90    73    74    75    76    77    81    82    91  
   71    72    80    85    89    78    83    84  
   69    70    78    79    83    84    80    90    97    73    74    75    76    77    81  
   70    78    79    83    90    73    77  
   78    79    83    90    73    77  
   72    80    85    86    87    88    89    95    78    83    84  
   80    85    89    83  
   74    75    76    77    81    78  
   75    76    77  
   76    77  
   77  
   81    82    91    92    93    94    78  
   79    83    84    80    85    89    90    97    98   103  
   83    84    80    90    97  
   85    86    87    88    89    95    96    99    90    83    84  
   82    91    92    93    94  
   91    92    93    94  
   84    85    86    87    88    89    95    90    97  
   85    89    90  
   86    87    88    89    95  
   87    88    89  
   88    89  
   89  
   95    96    99   100   101   102  
   97    98   103   104   105   109  
   92    93    94  
   93    94  
   94  
    0  
   96    99   100   101   102  
   99   100   101   102  
   98   103   104   105   106   107   108   109   110   111   112  
  103   104   105   109  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109   110   111   112   113   114   115  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112   113   114   115  
  111   112   113   114   115  
  112   113   114   115  
  113   114   115  
  114   115  
  115  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    62   268.000  1.529
   53    54   340.000  1.080
   53    55   549.000  1.340
   55    56   317.000  1.510
   55    58   317.000  1.510
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    64   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   66    68   268.000  1.529
   66    73   268.000  1.529
   66    77   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   268.000  1.529
   78    79   340.000  1.090
   78    83   268.000  1.529
   78    90   320.000  1.410
   83    84   340.000  1.090
   83    64   268.000  1.529
   83    80   268.000  1.529
   64    65   340.000  1.090
   64    67   320.000  1.410
   67    71   214.000  1.327
   71    72   570.000  1.229
   71    80   317.000  1.522
   80    85   268.000  1.529
   80    89   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    95   214.000  1.327
   95    96   570.000  1.229
   95    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   90    97   214.000  1.327
   97    98   570.000  1.229
   97   103   317.000  1.522
  103   104   340.000  1.090
  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   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    81   214.000  1.327
   81    82   570.000  1.229
   81    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  110.90400
   50    51    62    50.00000  109.50000
   51    53    54    35.00000  117.00000
   51    53    55    70.00000  124.00000
   51    62    56    58.35000  112.70000
   51    62    63    37.50000  110.70000
   51    62    66    58.35000  112.70000
   53    51    52    35.00000  109.50000
   53    55    56    70.00000  124.00000
   53    55    58    70.00000  124.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  109.50000
   55    56    62    70.00000  112.02700
   55    56    64    70.00000  112.02700
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    37.50000  110.70000
   56    62    66    58.35000  112.70000
   56    64    83    58.35000  112.70000
   56    64    65    37.50000  110.70000
   56    64    67    50.00000  109.50000
   62    51    52    37.50000  110.70000
   62    51    53    70.00000  112.02700
   62    56    57    37.50000  110.70000
   62    66    68    58.35000  112.70000
   62    66    73    58.35000  112.70000
   62    66    77    50.00000  109.50000
   66    62    63    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    78    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   66    77    81    83.00000  116.90000
   68    78    79    37.50000  110.70000
   68    78    83    58.35000  112.70000
   68    78    90    50.00000  109.50000
   70    68    69    33.00000  107.80000
   78    68    69    37.50000  110.70000
   78    68    70    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    64    58.35000  112.70000
   78    83    80    58.35000  112.70000
   78    90    97    83.00000  116.90000
   83    78    79    37.50000  110.70000
   83    64    65    37.50000  110.70000
   83    64    67    50.00000  109.50000
   83    80    71    63.00000  111.10000
   83    80    85    58.35000  112.70000
   83    80    89    50.00000  109.50000
   64    56    57    37.50000  110.70000
   64    56    62    58.35000  112.70000
   64    83    84    37.50000  110.70000
   64    67    71    83.00000  116.90000
   67    64    65    35.00000  109.50000
   67    71    72    83.00000  123.40000
   67    71    80    81.00000  111.40000
   71    80    85    63.00000  111.10000
   71    80    89    90.00000  108.74100
   80    83    84    37.50000  110.70000
   80    83    64    58.35000  112.70000
   80    71    72    80.00000  120.40000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    37.50000  110.70000
   80    89    95    83.00000  116.90000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    80    85    50.00000  109.50000
   89    95    96    83.00000  123.40000
   89    95    99    81.00000  111.40000
   95    99   100    35.00000  109.50000
   95    99   101    35.00000  109.50000
   95    99   102    35.00000  109.50000
   99    95    96    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   90    78    79    35.00000  109.50000
   90    78    83    50.00000  109.50000
   90    97    98    83.00000  123.40000
   90    97   103    81.00000  111.40000
   97   103   104    35.00000  109.50000
   97   103   105    63.00000  111.10000
   97   103   109    63.00000  111.10000
  103    97    98    80.00000  120.40000
  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    58.35000  112.70000
  105   103   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    37.50000  110.70000
  109   103   105    58.35000  112.70000
  109   112   113    37.50000  110.70000
  109   112   114    37.50000  110.70000
  109   112   115    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    37.50000  110.70000
  112   109   111    37.50000  110.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   73    66    68    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    66    68    50.00000  109.50000
   77    66    73    50.00000  109.50000
   77    81    82    83.00000  123.40000
   77    81    91    81.00000  111.40000
   81    91    92    35.00000  109.50000
   81    91    93    35.00000  109.50000
   81    91    94    35.00000  109.50000
   91    81    82    80.00000  120.40000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   58    55    56    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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
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   89    95    99   101   0.00000  1.0 1.0
   89    95    99   102   0.00000  1.0 1.0
   96    95    99   100   0.00000  1.0 1.0
   96    95    99   101   0.00000  1.0 1.0
   96    95    99   102   0.00000  1.0 1.0
   90    78    83    84   0.23400  1.0 3.0
   90    78    83    64   0.62750  1.0 1.0
   90    78    83    64  -0.30950 -1.0 2.0
   90    78    83    64   0.27300  1.0 3.0
   90    78    83    80   0.62750  1.0 1.0
   90    78    83    80  -0.30950 -1.0 2.0
   90    78    83    80   0.27300  1.0 3.0
   90    97   103   104   0.00000  1.0 1.0
   90    97   103   105   0.36750  1.0 3.0
   90    97   103   109   0.36750  1.0 3.0
   97   103   105   106  -0.11250  1.0 3.0
   97   103   105   107  -0.11250  1.0 3.0
   97   103   105   108  -0.11250  1.0 3.0
   97   103   109   110  -0.11250  1.0 3.0
   97   103   109   111  -0.11250  1.0 3.0
   97   103   109   112  -0.95700  1.0 1.0
   97   103   109   112  -0.18200 -1.0 2.0
   97   103   109   112   0.29450  1.0 3.0
   98    97   103   104   0.00000  1.0 1.0
   98    97   103   105   0.30150 -1.0 2.0
   98    97   103   109   0.30150 -1.0 2.0
  103   109   112   113   0.15000  1.0 3.0
  103   109   112   114   0.15000  1.0 3.0
  103   109   112   115   0.15000  1.0 3.0
  104   103   105   106   0.15000  1.0 3.0
  104   103   105   107   0.15000  1.0 3.0
  104   103   105   108   0.15000  1.0 3.0
  104   103   109   110   0.15000  1.0 3.0
  104   103   109   111   0.15000  1.0 3.0
  104   103   109   112   0.15000  1.0 3.0
  105   103   109   110   0.15000  1.0 3.0
  105   103   109   111   0.15000  1.0 3.0
  105   103   109   112   0.56750  1.0 1.0
  105   103   109   112  -0.07550 -1.0 2.0
  105   103   109   112   0.20000  1.0 3.0
  109   103   105   106   0.15000  1.0 3.0
  109   103   105   107   0.15000  1.0 3.0
  109   103   105   108   0.15000  1.0 3.0
  110   109   112   113   0.15000  1.0 3.0
  110   109   112   114   0.15000  1.0 3.0
  110   109   112   115   0.15000  1.0 3.0
  111   109   112   113   0.15000  1.0 3.0
  111   109   112   114   0.15000  1.0 3.0
  111   109   112   115   0.15000  1.0 3.0
   73    66    68    69   0.15000  1.0 3.0
   73    66    68    70   0.15000  1.0 3.0
   73    66    68    78   0.56750  1.0 1.0
   73    66    68    78  -0.07550 -1.0 2.0
   73    66    68    78   0.20000  1.0 3.0
   73    66    77    81  -0.25900  1.0 1.0
   73    66    77    81  -0.47000 -1.0 2.0
   73    66    77    81   0.11750  1.0 3.0
   77    66    68    69   0.23400  1.0 3.0
   77    66    68    70   0.23400  1.0 3.0
   77    66    68    78   0.62750  1.0 1.0
   77    66    68    78  -0.30950 -1.0 2.0
   77    66    68    78   0.27300  1.0 3.0
   77    66    73    74   0.23400  1.0 3.0
   77    66    73    75   0.23400  1.0 3.0
   77    66    73    76   0.23400  1.0 3.0
   77    81    91    92   0.00000  1.0 1.0
   77    81    91    93   0.00000  1.0 1.0
   77    81    91    94   0.00000  1.0 1.0
   82    81    91    92   0.00000  1.0 1.0
   82    81    91    93   0.00000  1.0 1.0
   82    81    91    94   0.00000  1.0 1.0
   58    55    56    57   0.34800  1.0 3.0
   58    55    56    62   0.46850  1.0 1.0
   58    55    56    62   0.08550 -1.0 2.0
   58    55    56    62   0.09800  1.0 3.0
   58    55    56    64   0.46850  1.0 1.0
   58    55    56    64   0.08550 -1.0 2.0
   58    55    56    64   0.09800  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   51    54    53    55   1.10000 -1.0 2.0
   56    58    55    53   1.10000 -1.0 2.0
   67    80    71    72  10.50000 -1.0 2.0
   89    99    95    96  10.50000 -1.0 2.0
   90   103    97    98  10.50000 -1.0 2.0
   77    91    81    82  10.50000 -1.0 2.0
END
