* LIGAND DATABASE FILE (OPLS2005)
*
001     108   113    221    370     666
    1     0 S   NP   _N1_     1    28.60581    94.32198   -22.43965
    2     1 S   H    _HN1     2     1.02837    25.27538   156.79763
    3     1 S   H    _H1_     3     1.02778    98.08520   -87.98350
    4     1 S   H    _H2_     4     1.02960    88.97943    20.38001
    5     1 S   CT   _CA1     5     1.50116   135.12512   138.80409
    6     5 S   HC   _HA1     6     1.09576   105.23192    67.26184
    7     5 S   CO3  _C1_     7     1.53781   112.38063   -52.94117
    8     7 S   O2Z  _O11     8     1.26358   115.00406   -44.21277
    9     7 S   O2Z  _O12     9     1.26239   114.91466   134.96174
   10     5 S   CT   _CB1    10     1.53096   107.42982  -174.84687
   11    10 S   HC   HB11    11     1.09825   109.31444   -50.99179
   12    10 S   HC   HB12    12     1.09819   110.42411    65.54866
   13    10 S   CT   _CG1    13     1.53013   112.68119  -172.10231
   14    13 S   HC   HG11    14     1.09596   110.44154   -63.98876
   15    13 S   HC   HG12    15     1.09653   109.98061    55.23104
   16    13 S   C    _CD1    16     1.51820   112.32084   175.56429
   17    16 S   O    _OE1    17     1.22725   123.26633    -2.00174
   18    16 S   N    _N2_    18     1.38638   111.65561   178.22745
   19    18 S   H    _HN2    19     1.01584   119.01741     1.28390
   20    18 S   CT1  _CA2    20     1.46144   123.35749   179.63523
   21    20 S   HC   _HA2    21     1.09759   109.42155    -6.24921
   22    20 S   C    _C2_    22     1.53413   108.20099  -121.64987
   23    22 S   O    _O2_    23     1.23012   122.32073  -142.65650
   24    20 S   CT   _CB2    32     1.53483   111.77269   115.72772
   25    24 S   HC   HB21    33     1.09556   109.97559    54.85327
   26    24 S   HC   HB22    34     1.09318   109.47982   173.51215
   27    22 S   N    _N3_    24     1.38525   113.32825    44.64587
   28    27 S   H    _HN3    25     1.01504   119.00820    -0.50706
   29    24 S   S    _SG2    35     1.83111   111.29599   -65.48657
   30    27 S   CT   _CA3    26     1.45438   123.26919   174.65790
   31    30 S   HC   HA31    27     1.09534   109.03911    28.23066
   32    30 S   HC   HA32    28     1.09488   107.17061   145.24540
   33    29 S   CT   _C25    36     1.86901   102.35010  -164.39259
   34    30 S   CO3  _C3_    29     1.52967   113.27266   -95.06830
   35    34 S   O2Z  _O31    30     1.26393   115.51216   -41.53565
   36    34 S   O2Z  _O32    31     1.26372   114.91371   139.39826
   37    33 S   CT   _C13    37     1.55344   108.79448    72.02964
   38    37 S   HC   _H48    38     1.09169   111.71507   -28.07090
   39    37 S   HC   _H49    39     1.09843   108.21313  -144.45908
   40    33 S   CT   _C29   105     1.53873   109.88143   -47.66240
   41    40 S   HC   _H67   106     1.09547   112.45917   -50.22863
   42    40 S   HC   _H68   107     1.09648   110.55173  -170.40708
   43    40 S   HC   _H69   108     1.09559   111.93858    71.14065
   44    37 S   CT   _C21    40     1.53065   111.55183    97.14819
   45    44 S   HC   _H57    41     1.09661   111.40097   -54.94144
   46    44 S   OS   _O33    42     1.45444   107.12688    61.20932
   47    44 S   CT   _C31    51     1.56499   115.07364  -178.59389
   48    46 S   CO4  _C7_    43     1.36130   119.15468   -47.49748
   49    48 S   O    _O30    44     1.22557   121.59495   172.56080
   50    47 S   CT   _C19    52     1.56251   111.71317    62.48374
   51    50 S   HC   _H55    53     1.09912   106.64962   -60.95170
   52    47 S   CT   _C30    99     1.53481   111.44161   -63.43804
   53    52 S   HC   _H70   100     1.09555   111.64248   -46.20242
   54    52 S   HC   _H71   101     1.09414   111.85368    74.95542
   55    52 S   HC   _H72   102     1.09367   111.20979  -162.78937
   56    47 S   OH   _O36   103     1.43599   105.79384  -179.14912
   57    56 S   HO   _H74   104     0.97343   107.54449    56.50820
   58    33 S   CT   _C15    45     1.56108   105.83830  -169.16124
   59    58 S   HC   _H51    46     1.10049   110.41863   -39.09848
   60    50 S   CT   _C10    54     1.55829   112.68580    55.93097
   61    60 S   HC   _H42    55     1.09532   112.45468    33.39838
   62    60 S   HC   _H43    56     1.09595   110.14971   -86.26361
   63    58 S   CT   _C26    47     1.53438   114.84437    80.12739
   64    63 S   HC   _H58    48     1.09512   111.95289    67.35226
   65    63 S   HC   _H59    49     1.09409   111.67635   -54.59520
   66    63 S   HC   _H60    50     1.09630   110.28037  -173.92123
   67    60 S   CT   _C8_    57     1.53457   107.13103   153.51119
   68    67 S   HC   _H38    58     1.09481   111.06211   129.22812
   69    67 S   HC   _H39    59     1.09571   110.52660  -111.41685
   70    67 S   CT   _C17    60     1.52218   103.99353     8.40469
   71    70 S   HC   _H53    61     1.10367   105.72553    78.07452
   72    70 S   CT   _C18    62     1.53711   118.35494  -163.30272
   73    72 S   HC   _H54    63     1.09623   109.62734    62.90579
   74    72 S   CT   _C12    64     1.53199   109.95195   -56.32827
   75    74 S   HC   _H46    65     1.09689   110.31888   -54.28705
   76    74 S   HC   _H47    66     1.09598   110.07311    63.42526
   77    72 S   CT   _C16    79     1.55903   109.44965  -177.44649
   78    77 S   HC   _H52    80     1.10189   105.55276    62.93891
   79    74 S   C3T  _C20    67     1.48196   112.42507  -175.65891
   80    79 S   HC   _H56    68     1.08171   112.76888  -178.80646
   81    77 S   CT   _C9_    81     1.55858   110.23188   -50.88679
   82    81 S   HC   _H40    82     1.09467   110.13667   -71.39896
   83    81 S   HC   _H41    83     1.09406   110.50590   171.90893
   84    79 S   C3T  _C24    69     1.51342   121.78980    27.81016
   85    81 S   CT   _C11    84     1.53831   114.31889    50.56162
   86    85 S   HC   _H44    85     1.09754   108.72592    67.04360
   87    85 S   HC   _H45    86     1.09357   108.07262  -177.83282
   88    84 S   CT   _C14    70     1.51278   117.73984   159.24479
   89    88 S   HC   _H50    71     1.09678   109.03913    -5.79474
   90    50 S   CT   _C23    87     1.56627   121.49863   178.20965
   91    79 S   O3T  _O34    98     1.42374   114.64932   -39.81293
   92    88 S   CM   _C5_    72     1.48944   114.67749  -126.69979
   93    92 S   HC   _H37    73     1.08684   117.45477   166.05020
   94    90 S   CT   _C28    88     1.54591   112.10312   -48.42399
   95    94 S   HC   _H64    89     1.09433   112.47455   -46.78156
   96    94 S   HC   _H65    90     1.09302   112.86163  -167.12652
   97    94 S   HC   _H66    91     1.09500   110.82654    73.71907
   98    88 S   OH   _O35    96     1.42766   109.85879   110.88569
   99    98 S   HO   _H73    97     0.97227   107.80587  -174.98226
  100    92 S   CM   _C4_    74     1.33318   123.80391   -12.89836
  101   100 S   HC   _H36    75     1.08450   121.01955   178.93780
  102   100 S   CO4  _C6_    76     1.48203   121.65778    -2.43679
  103   102 S   O    _O29    77     1.23229   116.72830   179.56659
  104    84 S   CT   _C22    78     1.54035   121.06129    -1.50480
  105   104 S   CT   _C27    92     1.54479   108.75799  -121.51786
  106   105 S   HC   _H61    93     1.09531   111.28140    68.74697
  107   105 S   HC   _H62    94     1.09514   111.66683   -51.16142
  108   105 S   HC   _H63    95     1.09546   112.07518  -169.60672
  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
  19   2   1   1  17   7   6   8   3   2   1  16   6   9  17   7
   3  25  10   7   3   2   1   3   1   5   4  11   6   5   3   2
   1   1  11   5   4  19   7  19   9  12   6   5  20   8  10   4
  11   6   5  15   8   3   2  11   7   4   5   8   4   3   2   1
   1   3   1   5   3   6   2   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    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    58    59    63    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    49    58    59    63    64    65    66    47    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    48    58    59    63    47    50    52    56    40    41    42    43  
   39    44    45    46    58    47    40  
   44    45    46    58    47    40  
   41    42    43    44    48    58    59    63  
   42    43    58  
   43    58  
   58  
   45    46    48    49    58    47    50    51    60    90    52    53    54    55    56    57  
   46    48    47    50    52    56  
   48    49    58    59    63    47    50    52    56  
   50    51    60    61    62    67    70    85    90    94    52    53    54    55    56    57    48  
   49    58    59    63    64    65    66  
   58    59    63  
   51    60    61    62    67    68    69    70    71    72    81    85    86    87    90    94    95    96    97    52    53    54    55    56    57  
   60    61    62    67    70    85    90    94    52    56  
   53    54    55    56    57    60    90  
   54    55    56  
   55    56  
   56  
   57    60    90  
    0  
   59    63    64    65    66  
   63    64    65    66  
   61    62    67    68    69    70    71    72    85    90    94  
   62    67    68    69    70    90  
   67    68    69    70    90  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    77    85    90    94  
   69    70    71    72    90  
   70    71    72    90  
   71    72    73    74    75    76    79   104    77    78    81    85    86    87    90    94    95    96    97  
   72    73    74    77    85    90    94  
   73    74    75    76    79    80    84   102   104    77    78    81    82    83    85    90    94   105    91  
   74    75    76    79   104    77    78    81    90  
   75    76    79    80    84    88   104    77    78    81    90    91  
   76    79    80    84    77    91  
   79    80    84    77    91  
   78    81    82    83    85    86    87    90   105   106   107   108    91    79    84    88   100   102   103   104  
   81    82    83    85   105    84   102   104  
   80    84    88    89    92   102   104   105    98    91  
   84    88   104    91  
   82    83    85    86    87    90    94   105    84   102   104  
   83    85    86    87    90   104  
   85    86    87    90   104  
   88    89    92    93   100   102   103   104   105   106   107   108    98    99    91  
   86    87    90    94    95    96    97   104  
   87    90    94  
   90    94  
   89    92    93   100   101   102   104   105    98    99    91  
   92    93   100   104    98    99    91  
   94    95    96    97  
   92    98   102   104   105  
   93   100   101   102   103   104    98    99  
  100   101   102    98  
   95    96    97  
   96    97  
   97  
    0  
   99   100   104  
    0  
  101   102   103   104   105  
  102   103   104  
  103   104   105   106   107   108  
  104   105  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  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
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    58   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   320.000  1.410
   44    47   268.000  1.529
   46    48   214.000  1.327
   48    49   570.000  1.229
   48    58   317.000  1.522
   58    59   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   47    50   268.000  1.529
   47    52   268.000  1.529
   47    56   320.000  1.410
   50    51   340.000  1.090
   50    60   268.000  1.529
   50    90   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    90   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   275.000  1.510
   79    80   340.000  1.088
   79    84   260.000  1.509
   79    91   335.000  1.432
   84    88   275.000  1.510
   84   104   275.000  1.510
   84    91   335.000  1.432
   88    89   340.000  1.090
   88    92   317.000  1.510
   88    98   320.000  1.410
   92    93   340.000  1.080
   92   100   549.000  1.340
  100   101   340.000  1.080
  100   102   320.000  1.462
  102   103   570.000  1.229
  102   104   317.000  1.522
  104    77   268.000  1.529
  104   105   268.000  1.529
   77    78   340.000  1.090
   77    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   268.000  1.529
   90    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   98    99   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    58    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    58    48    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    50.00000  109.50000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    48    83.00000  116.90000
   44    47    50    58.35000  112.70000
   44    47    52    58.35000  112.70000
   44    47    56    50.00000  109.50000
   46    44    45    35.00000  109.50000
   46    48    49    83.00000  123.40000
   46    48    58    81.00000  111.40000
   48    58    59    35.00000  109.50000
   48    58    63    63.00000  111.10000
   58    33    37    58.35000  112.70000
   58    48    49    80.00000  120.40000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   63    58    59    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
   47    44    45    37.50000  110.70000
   47    44    46    50.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    60    58.35000  112.70000
   47    50    90    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   47    56    57    55.00000  108.50000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    67    58.35000  112.70000
   50    90    70    58.35000  112.70000
   50    90    85    58.35000  112.70000
   50    90    94    58.35000  112.70000
   60    50    51    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    90    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    58.35000  112.70000
   70    72    77    58.35000  112.70000
   70    90    85    58.35000  112.70000
   70    90    94    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    79    70.00000  112.37300
   72    77   104    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    81    58.35000  112.70000
   74    72    73    37.50000  110.70000
   74    79    80    40.00000  115.04500
   74    79    84    60.00000  120.94000
   74    79    91    80.00000  116.47100
   76    74    75    33.00000  107.80000
   79    74    75    45.00000  109.38400
   79    74    76    45.00000  109.38400
   79    84    88    60.00000  120.94000
   79    84   104    60.00000  120.94000
   79    84    91    15.00000   60.43100
   79    91    84    15.00000   59.14900
   84    79    80    37.50000  117.20000
   84    88    89    45.00000  109.38400
   84    88    92    70.00000  112.02700
   84    88    98    50.00000  109.50000
   84   104   102    63.00000  111.10000
   84   104    77    70.00000  112.37300
   84   104   105    70.00000  112.37300
   88    92    93    35.00000  117.00000
   88    92   100    70.00000  124.00000
   88    98    99    55.00000  108.50000
   92    88    89    35.00000  109.50000
   92   100   101    35.00000  120.00000
   92   100   102    65.00000  118.96000
  100    92    93    35.00000  120.00000
  100   102   103    80.00000  123.72100
  100   102   104    65.00000  118.62400
  102   100   101    40.00000  117.72500
  102   104    77    63.00000  111.10000
  102   104   105    63.00000  111.10000
  104    84    88    58.35000  112.70000
  104   102   103    80.00000  120.40000
  104    77    78    37.50000  110.70000
  104    77    81    58.35000  112.70000
  104   105   106    37.50000  110.70000
  104   105   107    37.50000  110.70000
  104   105   108    37.50000  110.70000
   77    72    73    37.50000  110.70000
   77    72    74    58.35000  112.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    85    58.35000  112.70000
   81    77    78    37.50000  110.70000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    90    58.35000  112.70000
   83    81    82    33.00000  107.80000
   85    81    82    37.50000  110.70000
   85    81    83    37.50000  110.70000
   85    90    94    58.35000  112.70000
   87    85    86    33.00000  107.80000
   90    50    51    37.50000  110.70000
   90    50    60    58.35000  112.70000
   90    70    71    37.50000  110.70000
   90    70    72    58.35000  112.70000
   90    85    86    37.50000  110.70000
   90    85    87    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    97    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
  105   104    77    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   98    88    89    35.00000  109.50000
   98    88    92    90.00000  110.39200
   91    79    80    50.00000  114.27700
   91    79    84    15.00000   60.43100
   91    84    88    80.00000  116.47100
   91    84   104    80.00000  116.47100
   52    47    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    47    50    50.00000  109.50000
   56    47    52    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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   88    84   104    77  -0.07550 -1.0 2.0
   88    84   104    77   0.20000  1.0 3.0
   88    84   104   105   0.56750  1.0 1.0
   88    84   104   105  -0.07550 -1.0 2.0
   88    84   104   105   0.20000  1.0 3.0
   88    84   -91    79   0.06250  1.0 1.0
   88    84   -91    79  -0.01100 -1.0 2.0
   88    84   -91    79   0.28050  1.0 3.0
   88    92   100   101   7.00000 -1.0 2.0
   88    92  -100   102   7.00000 -1.0 2.0
   89    88    92    93   0.33100  1.0 3.0
   89    88    92   100   0.00000  1.0 1.0
   89    88    98    99   0.19450  1.0 3.0
   92    88    98    99  -0.07800  1.0 1.0
   92    88    98    99  -0.21500 -1.0 2.0
   92    88    98    99  -0.03150  1.0 3.0
   92   100   102   103   1.00000 -1.0 2.0
   92   100   102   104  -0.33500  1.0 1.0
   92   100   102   104   1.06600 -1.0 2.0
   92   100   102   104  -0.14000  1.0 3.0
   93    92   100   101   7.00000 -1.0 2.0
   93    92   100   102   7.00000 -1.0 2.0
  100   102  -104    84   0.65300  1.0 1.0
  100   102  -104    84  -0.03850 -1.0 2.0
  100   102  -104    84   0.33900  1.0 3.0
  100   102   104    77   0.65300  1.0 1.0
  100   102   104    77  -0.03850 -1.0 2.0
  100   102   104    77   0.33900  1.0 3.0
  100   102   104   105   0.65300  1.0 1.0
  100   102   104   105  -0.03850 -1.0 2.0
  100   102   104   105   0.33900  1.0 3.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   104   0.04550  1.0 1.0
  101   100   102   104   0.83000 -1.0 2.0
  101   100   102   104  -0.04000  1.0 3.0
  102   104    77    72  -0.95700  1.0 1.0
  102   104    77    72  -0.18200 -1.0 2.0
  102   104    77    72   0.29450  1.0 3.0
  102   104    77    78  -0.11250  1.0 3.0
  102   104    77    81  -0.95700  1.0 1.0
  102   104    77    81  -0.18200 -1.0 2.0
  102   104    77    81   0.29450  1.0 3.0
  102   104   105   106  -0.11250  1.0 3.0
  102   104   105   107  -0.11250  1.0 3.0
  102   104   105   108  -0.11250  1.0 3.0
  103   102   104    84   0.30150 -1.0 2.0
  103   102   104    77   0.30150 -1.0 2.0
  103   102   104   105   0.30150 -1.0 2.0
  104    84    88    89   0.15000  1.0 3.0
  104    84   -88    92   0.34400  1.0 1.0
  104    84   -88    92   0.09450 -1.0 2.0
  104    84   -88    92   0.11100  1.0 3.0
  104    84    88    98   0.86500  1.0 1.0
  104    84    88    98  -0.17500 -1.0 2.0
  104    84    88    98   0.20800  1.0 3.0
  104    84   -91    79   0.06250  1.0 1.0
  104    84   -91    79  -0.01100 -1.0 2.0
  104    84   -91    79   0.28050  1.0 3.0
  104    77    81    82   0.15000  1.0 3.0
  104    77    81    83   0.15000  1.0 3.0
  104    77    81    85   0.56750  1.0 1.0
  104    77    81    85  -0.07550 -1.0 2.0
  104    77    81    85   0.20000  1.0 3.0
   77    72    74    75   0.15000  1.0 3.0
   77    72    74    76   0.15000  1.0 3.0
   77    72   -74    79   0.47050  1.0 1.0
   77    72   -74    79   0.03900 -1.0 2.0
   77    72   -74    79   0.20100  1.0 3.0
   77   104   105   106   0.15000  1.0 3.0
   77   104   105   107   0.15000  1.0 3.0
   77   104   105   108   0.15000  1.0 3.0
   77    81    85    86   0.15000  1.0 3.0
   77    81    85    87   0.15000  1.0 3.0
   77    81    85    90   0.56750  1.0 1.0
   77    81    85    90  -0.07550 -1.0 2.0
   77    81    85    90   0.20000  1.0 3.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    83   0.15000  1.0 3.0
   78    77    81    85   0.15000  1.0 3.0
   81    85    90    50   0.56750  1.0 1.0
   81    85    90    50  -0.07550 -1.0 2.0
   81    85    90    50   0.20000  1.0 3.0
   81    85   -90    70   0.56750  1.0 1.0
   81    85   -90    70  -0.07550 -1.0 2.0
   81    85   -90    70   0.20000  1.0 3.0
   81    85    90    94   0.56750  1.0 1.0
   81    85    90    94  -0.07550 -1.0 2.0
   81    85    90    94   0.20000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    87   0.15000  1.0 3.0
   82    81    85    90   0.15000  1.0 3.0
   83    81    85    86   0.15000  1.0 3.0
   83    81    85    87   0.15000  1.0 3.0
   83    81    85    90   0.15000  1.0 3.0
   85    90    94    95   0.15000  1.0 3.0
   85    90    94    96   0.15000  1.0 3.0
   85    90    94    97   0.15000  1.0 3.0
   86    85    90    50   0.15000  1.0 3.0
   86    85    90    70   0.15000  1.0 3.0
   86    85    90    94   0.15000  1.0 3.0
   87    85    90    50   0.15000  1.0 3.0
   87    85    90    70   0.15000  1.0 3.0
   87    85    90    94   0.15000  1.0 3.0
   90    50    60    61   0.15000  1.0 3.0
   90    50    60    62   0.15000  1.0 3.0
   90    50   -60    67   0.56750  1.0 1.0
   90    50   -60    67  -0.07550 -1.0 2.0
   90    50   -60    67   0.20000  1.0 3.0
   90    70    72    73   0.15000  1.0 3.0
   90    70    72    74   0.56750  1.0 1.0
   90    70    72    74  -0.07550 -1.0 2.0
   90    70    72    74   0.20000  1.0 3.0
   90    70   -72    77   0.56750  1.0 1.0
   90    70   -72    77  -0.07550 -1.0 2.0
   90    70   -72    77   0.20000  1.0 3.0
  105   104    77    72   0.56750  1.0 1.0
  105   104    77    72  -0.07550 -1.0 2.0
  105   104    77    72   0.20000  1.0 3.0
  105   104    77    78   0.15000  1.0 3.0
  105   104    77    81   0.56750  1.0 1.0
  105   104    77    81  -0.07550 -1.0 2.0
  105   104    77    81   0.20000  1.0 3.0
   98    88    92    93   0.00000  1.0 1.0
   98    88    92   100   0.67800  1.0 1.0
   98    88    92   100   0.47050 -1.0 2.0
   98    88    92   100  -0.62500  1.0 3.0
   91    79   -84    88   0.02550  1.0 1.0
   91    79   -84    88  -0.02600 -1.0 2.0
   91    79   -84    88   1.20400  1.0 3.0
   91    79   -84   104   0.02550  1.0 1.0
   91    79   -84   104  -0.02600 -1.0 2.0
   91    79   -84   104   1.20400  1.0 3.0
   91    84    88    89   0.23400  1.0 3.0
   91    84    88    92   0.61850  1.0 1.0
   91    84    88    92  -0.22750 -1.0 2.0
   91    84    88    92   0.15300  1.0 3.0
   91    84    88    98   3.69350  1.0 1.0
   91    84    88    98  -1.82950 -1.0 2.0
   91    84   104   102  -0.09450  1.0 1.0
   91    84   104   102  -1.12950 -1.0 2.0
   91    84   104   102   0.54000  1.0 3.0
   91    84   104    77   0.02550  1.0 1.0
   91    84   104    77  -0.02600 -1.0 2.0
   91    84   104    77   1.20400  1.0 3.0
   91    84   104   105   0.02550  1.0 1.0
   91    84   104   105  -0.02600 -1.0 2.0
   91    84   104   105   1.20400  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    60   0.56750  1.0 1.0
   52    47    50    60  -0.07550 -1.0 2.0
   52    47    50    60   0.20000  1.0 3.0
   52    47    50    90   0.56750  1.0 1.0
   52    47    50    90  -0.07550 -1.0 2.0
   52    47    50    90   0.20000  1.0 3.0
   52    47    56    57  -0.11600  1.0 1.0
   52    47    56    57  -0.09450 -1.0 2.0
   52    47    56    57   0.21250  1.0 3.0
   56    47    50    51   0.23400  1.0 3.0
   56    47    50    60   0.86500  1.0 1.0
   56    47    50    60  -0.17500 -1.0 2.0
   56    47    50    60   0.20800  1.0 3.0
   56    47    50    90   0.86500  1.0 1.0
   56    47    50    90  -0.17500 -1.0 2.0
   56    47    50    90   0.20800  1.0 3.0
   56    47    52    53   0.23400  1.0 3.0
   56    47    52    54   0.23400  1.0 3.0
   56    47    52    55   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    58    48  -0.95700  1.0 1.0
   40    33    58    48  -0.18200 -1.0 2.0
   40    33    58    48   0.29450  1.0 3.0
   40    33    58    59   0.15000  1.0 3.0
   40    33    58    63   0.56750  1.0 1.0
   40    33    58    63  -0.07550 -1.0 2.0
   40    33    58    63   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   46    58    48    49  10.50000 -1.0 2.0
   88    93    92   100   1.10000 -1.0 2.0
  102   101   100    92   1.10000 -1.0 2.0
  100   104   102   103  10.50000 -1.0 2.0
END
