* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    208    327     610
    1     0 S   NP   _N1_     1    30.42099    90.15162   -25.52515
    2     1 S   H    _HN1     2     1.02783   106.15050  -109.52472
    3     1 S   H    _H1_     3     1.02956   111.89254     8.48098
    4     1 S   H    _H2_     4     1.02832     4.82970     2.04497
    5     1 S   CT   _CA1     5     1.50130   107.80581   130.05747
    6     5 S   HC   _HA1     6     1.09563   105.27182    55.20810
    7     5 S   CO3  _C1_     7     1.53836   112.29116   -65.17820
    8     7 S   O2Z  _O11     8     1.26377   115.01625   -44.07314
    9     7 S   O2Z  _O12     9     1.26231   114.92659   135.00867
   10     5 S   CT   _CB1    10     1.53038   107.39391   173.28104
   11    10 S   HC   HB11    11     1.09829   109.55872   -48.77530
   12    10 S   HC   HB12    12     1.09815   110.25656    67.75465
   13    10 S   CT   _CG1    13     1.53058   112.72587  -169.78662
   14    13 S   HC   HG11    14     1.09583   110.50339   -60.34537
   15    13 S   HC   HG12    15     1.09625   110.09214    59.05505
   16    13 S   C    _CD1    16     1.51720   111.97534   179.52853
   17    16 S   O    _OE1    17     1.22771   123.16205    -2.83780
   18    16 S   N    _N2_    18     1.38685   111.95362   176.71705
   19    18 S   H    _HN2    19     1.01580   119.20271     4.47676
   20    18 S   CT1  _CA2    20     1.46050   122.99269  -176.64725
   21    20 S   HC   _HA2    21     1.09595   109.00936     4.18956
   22    20 S   C    _C2_    22     1.53504   109.88991  -111.03903
   23    22 S   O    _O2_    23     1.23097   121.93539  -152.85480
   24    20 S   CT   _CB2    32     1.53657   112.07491   125.77031
   25    24 S   HC   HB21    33     1.09677   109.32344    73.70600
   26    24 S   HC   HB22    34     1.09548   110.47581  -169.78756
   27    22 S   N    _N3_    24     1.38221   114.00625    34.55787
   28    27 S   H    _HN3    25     1.01584   119.61326    -3.53928
   29    24 S   S    _SG2    35     1.83146   115.86649   -45.43779
   30    27 S   CT   _CA3    26     1.45295   123.14928   176.95470
   31    30 S   HC   HA31    27     1.09552   107.53680   -63.69426
   32    30 S   HC   HA32    28     1.09558   107.94274    52.72162
   33    29 S   CT   _C20    36     1.83835   101.31226   -60.90229
   34    33 S   HC   _H3_    37     1.09322   109.20098    37.41916
   35    30 S   CO3  _C3_    29     1.52943   114.12554   174.70853
   36    35 S   O2Z  _O31    30     1.26368   116.06337    -0.39909
   37    35 S   O2Z  _O32    31     1.26430   114.41176   179.65965
   38    33 S   CM   _C5_    38     1.51066   106.59139   155.00115
   39    38 S   HC   _H39    39     1.08862   117.28378    67.46200
   40    33 S   CT   _C12    94     1.52857   110.06454   -83.10320
   41    40 S   HC   _H43    95     1.09700   111.86674    50.26593
   42    40 S   HC   _H44    96     1.09774   112.04157   -68.84325
   43    38 S   CM   _C4_    40     1.34066   122.75665  -111.43626
   44    43 S   HC   _H38    41     1.08446   121.36624    -1.05109
   45    43 S   CO4  _C8_    42     1.47812   120.69171   177.65832
   46    45 S   O    _O28    43     1.21967   125.59630     1.44334
   47    45 S   OS   _O33    44     1.35837   107.03780  -179.03958
   48    47 S   CT   _C16    45     1.43760   117.51184  -178.81403
   49    48 S   HC   _H51    46     1.09646   110.10022   -47.56226
   50    48 S   HC   _H52    47     1.09508   106.79912  -163.04357
   51    48 S   CT   _C14    48     1.53092   112.02226    76.39562
   52    51 S   HC   _H47    49     1.09674   108.97445   168.34149
   53    51 S   HC   _H48    50     1.09743   107.96420   -76.54116
   54    51 S   CT   _C22    51     1.54413   114.73991    43.73782
   55    54 S   HC   _H60    52     1.09687   107.63078   -57.61356
   56    54 S   CT   _C21    53     1.54600   109.88428  -175.31910
   57    56 S   HC   _H59    54     1.09698   110.90413    39.57422
   58    54 S   CT   _C29   103     1.53364   111.51543    59.90160
   59    58 S   HC   _H66   104     1.09502   111.61382    54.84958
   60    58 S   HC   _H67   105     1.09467   111.06392   -65.38938
   61    58 S   HC   _H68   106     1.09492   111.01008   175.61738
   62    56 S   CO4  _C10    55     1.52250   110.85799   158.19641
   63    62 S   O    _O30    56     1.22268   124.81161   114.13098
   64    56 S   OH   _O38   101     1.41819   110.33439   -79.06451
   65    64 S   HO   _H72   102     0.97273   107.60195   178.55924
   66    62 S   OS   _O34    57     1.36311   108.74517   -67.20256
   67    66 S   CT   _C17    58     1.43644   119.15766   179.73681
   68    67 S   HC   _H53    59     1.09471   110.76657    10.40896
   69    67 S   HC   _H54    60     1.09316   106.89661  -104.32724
   70    67 S   CT   _C25    61     1.56555   110.79075   134.41160
   71    70 S   CT   _C13    62     1.56319   108.61307   -58.68091
   72    71 S   HC   _H45    63     1.09511   110.00720  -179.92598
   73    71 S   HC   _H46    64     1.09501   111.45325    62.49015
   74    70 S   CT   _C26    81     1.61511   112.33033    64.31348
   75    71 S   CT   _C11    65     1.53463   113.89153   -60.15951
   76    75 S   HC   _H41    66     1.09716   108.01866  -164.55699
   77    75 S   HC   _H42    67     1.09598   109.99344    79.63286
   78    97 S   C3T  _C27    82     1.48663   107.75138   -61.92380
   79    74 S   CT   _C30    87     1.53606   114.71179   -61.40020
   80    79 S   HC   _H69    88     1.09297   112.27629   -50.30531
   81    79 S   HC   _H70    89     1.09595   112.05350  -169.32827
   82    79 S   HC   _H71    90     1.09359   111.49190    71.65051
   83    75 S   CM   _C7_    68     1.50412   113.67455   -42.80225
   84    78 S   C3T  _C18    83     1.50932   124.86628   -89.88712
   85    84 S   HC   _H55    84     1.08255   118.27694     7.56535
   86    84 S   HC   _H56    85     1.08178   119.24554   155.10471
   87    83 S   CM   _C6_    69     1.34319   121.97219    12.43979
   88    87 S   HC   _H40    70     1.08775   119.47210  -178.78856
   89    78 S   O3T  _O36    86     1.43580   114.24990  -156.95905
   90    83 S   CT   _C28    97     1.50033   116.09782  -167.66664
   91    90 S   HC   _H63    98     1.09483   110.22239   -59.06487
   92    90 S   HC   _H64    99     1.09505   112.18293  -179.09086
   93    90 S   HC   _H65   100     1.09477   110.31796    60.79302
   94    70 S   CT   _C19    71     1.57686   107.89906  -174.96943
   95    94 S   HC   _H57    72     1.09727   108.88726   -42.87202
   96    94 S   OS   _O37    73     1.43808   113.86056  -163.03246
   97    96 S   CT   _C24    74     1.42908   115.58919    45.69641
   98    97 S   HC   _H62    75     1.09423   108.19216   174.58611
   99    97 S   CT   _C15    76     1.53629   112.02096    50.96906
  100    99 S   HC   _H49    77     1.09631   109.74855   149.60253
  101    99 S   HC   _H50    78     1.09432   112.06878    29.68120
  102    99 S   CT   _C23    79     1.55204   104.95338   -91.66117
  103   102 S   HC   _H61    80     1.09242   111.98603   126.42826
  104   102 S   OS   _O35    91     1.44748   108.10177  -113.83597
  105   104 S   CO4  _C9_    92     1.36144   117.33953   -82.52851
  106   105 S   O    _O29    93     1.22393   126.12630    -2.41946
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  10   4   7   4   3   5   3   6   2   7   9
   5   4  12   5   4  12   8  11   6   5   2   1   1   8   3   2
   1   7  15   5   4  25  15   7   6  23  10   4   3  18  11   3
   2   1   9   8   3   2   9   4   5   4   2   1   1   6   2   6
   7   4   6   4   3   4   2   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    43   105    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45   104   105   106    40    41    42  
   38    39    43   105    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    47   105    40    41    42  
   43    44    45    40  
   41    42    43   102   104   105   106  
   42   104   105   106  
  104   105   106  
   44    45    46    47    48  
   45    46    47  
   46    47    48    49    50    51  
   47    48  
   48    49    50    51    52    53    54  
   49    50    51    52    53    54    55    56    58  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    62    64    58    59    60    61  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    62    63    66    64    65    58    59    60    61  
   56    57    62    64    58    59    60    61  
   57    62    63    66    67    64    65    58    59    60    61  
   62    63    66    64    65    58  
   59    60    61    62    64  
   60    61  
   61  
    0  
   63    66    67    68    69    70    64    65  
   66    67    64  
   65    66  
    0  
   67    68    69    70    71    94    74  
   68    69    70    71    72    73    75    87    94    95    96   102    74    78    79  
   69    70    71    94    74  
   70    71    94    74  
   71    72    73    75    76    77    83    87    88    94    95    96    97    99   102   103    74    78    84    89    79    80    81    82   104  
   72    73    75    76    77    83    87    94    95    96   102    74    78    79    90  
   73    75    76    77    83    94    74  
   75    76    77    83    94    74  
   78    84    85    86    89    79    80    81    82   104   105    75    87    94    95    96    97    98    99   100   101   102   103  
   76    77    83    87    88    94    90    91    92    93  
   77    83    87    90  
   83    87    90  
   84    85    86    89    79    80    81    82   104    94    96    97    98    99   100   101   102   103  
   80    81    82   104    84    89    94    97    99   102   103  
   81    82   102  
   82   102  
  102  
   87    88    94    95    96    90    91    92    93  
   85    86    89    96    97    98    99   102  
   86    89    97  
   89    97  
   88    94    95    96    97    90    91    92    93  
   94    95    96    90  
   96    97    98    99   102  
   91    92    93    94  
   92    93  
   93  
    0  
   95    96    97    98    99   102  
   96    97  
   97    98    99   100   101   102  
   98    99   100   101   102   103   104  
   99   100   101   102  
  100   101   102   103   104   105  
  101   102   103   104  
  102   103   104  
  103   104   105   106  
  104   105  
  105   106  
  106  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   97   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    45   320.000  1.462
   45    46   570.000  1.229
   45    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   317.000  1.522
   56    64   320.000  1.410
   62    63   570.000  1.229
   62    66   214.000  1.327
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   268.000  1.529
   70    94   268.000  1.529
   70    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    83   317.000  1.510
   83    87   549.000  1.340
   83    90   317.000  1.510
   87    88   340.000  1.080
   87    94   317.000  1.510
   94    95   340.000  1.090
   94    96   320.000  1.410
   96    97   320.000  1.410
   97    98   340.000  1.090
   97    99   268.000  1.529
   97    78   275.000  1.510
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102    74   268.000  1.529
  102   104   320.000  1.410
   74    78   275.000  1.510
   74    79   268.000  1.529
   78    84   260.000  1.509
   78    89   335.000  1.432
   84    85   340.000  1.088
   84    86   340.000  1.088
   84    89   335.000  1.432
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
  104   105   214.000  1.327
  105   106   570.000  1.229
  105    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   64    65   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40   105    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    45    65.00000  118.96000
   43    38    39    35.00000  120.00000
   43    45    46    80.00000  123.72100
   43    45    47    90.00000  111.29400
   45    43    44    40.00000  117.72500
   45    47    48    83.00000  116.90000
   47    45    46    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    35.00000  109.50000
   47    48    51    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    58    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    63.00000  111.10000
   54    56    64    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    63    80.00000  120.40000
   56    62    66    81.00000  111.40000
   56    64    65    55.00000  108.50000
   62    56    57    35.00000  109.50000
   62    66    67    83.00000  116.90000
   66    62    63    83.00000  123.40000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    70    50.00000  109.50000
   67    70    71    58.35000  112.70000
   67    70    94    58.35000  112.70000
   67    70    74    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    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    75    58.35000  112.70000
   70    94    87    70.00000  112.02700
   70    94    95    37.50000  110.70000
   70    94    96    50.00000  109.50000
   70    74   102    58.35000  112.70000
   70    74    78    70.00000  112.37300
   70    74    79    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    83    70.00000  112.02700
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    83    87    70.00000  124.00000
   75    83    90    65.00000  117.92700
   77    75    76    33.00000  107.80000
   83    75    76    35.00000  109.50000
   83    75    77    35.00000  109.50000
   83    87    88    35.00000  120.00000
   83    87    94    70.00000  124.00000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    93    35.00000  109.50000
   87    94    95    35.00000  109.50000
   87    94    96    85.00000  110.90400
   94    70    71    58.35000  112.70000
   94    87    88    35.00000  117.00000
   94    96    97    60.00000  109.50000
   96    94    95    35.00000  109.50000
   96    97    98    35.00000  109.50000
   96    97    99    50.00000  109.50000
   96    97    78    50.00000  109.50000
   97    99   100    37.50000  110.70000
   97    99   101    37.50000  110.70000
   97    99   102    58.35000  112.70000
   97    78    74    58.35000  112.70000
   97    78    84    60.00000  120.94000
   97    78    89    80.00000  116.47100
   99    97    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102    74    58.35000  112.70000
   99   102   104    50.00000  109.50000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102    74    78    70.00000  112.37300
  102    74    79    58.35000  112.70000
  102   104   105    83.00000  116.90000
   74    70    71    58.35000  112.70000
   74    70    94    58.35000  112.70000
   74   102   103    37.50000  110.70000
   74    78    84    60.00000  120.94000
   74    78    89    80.00000  116.47100
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   78    97    98    45.00000  109.38400
   78    97    99    70.00000  112.37300
   78    84    85    37.50000  117.20000
   78    84    86    37.50000  117.20000
   78    84    89    15.00000   60.43100
   78    89    84    15.00000   59.14900
   86    84    85    35.00000  114.30000
   89    78    84    15.00000   60.43100
   89    84    85    50.00000  114.27700
   89    84    86    50.00000  114.27700
   79    74    78    70.00000  112.37300
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
  104   102   103    35.00000  109.50000
  104   102    74    50.00000  109.50000
  104   105   106    83.00000  123.40000
  104   105    40    81.00000  111.40000
  105    40    41    35.00000  109.50000
  105    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   105   106    80.00000  120.40000
   42    40    41    33.00000  107.80000
   90    83    87    70.00000  124.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   64    56    57    35.00000  109.50000
   64    56    62    90.00000  109.61100
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
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   74    78    84    85   0.15000  1.0 3.0
   74    78    84    86   0.15000  1.0 3.0
   74    78   -84    89   0.02550  1.0 1.0
   74    78   -84    89  -0.02600 -1.0 2.0
   74    78   -84    89   1.20400  1.0 3.0
   74    78   -89    84   0.06250  1.0 1.0
   74    78   -89    84  -0.01100 -1.0 2.0
   74    78   -89    84   0.28050  1.0 3.0
   78    97    99   100   0.15000  1.0 3.0
   78    97    99   101   0.15000  1.0 3.0
   78    97   -99   102   0.47050  1.0 1.0
   78    97   -99   102   0.03900 -1.0 2.0
   78    97   -99   102   0.20100  1.0 3.0
   78    74    79    80   0.15000  1.0 3.0
   78    74    79    81   0.15000  1.0 3.0
   78    74    79    82   0.15000  1.0 3.0
   85    84   -89    78   0.36800  1.0 3.0
   86    84   -89    78   0.36800  1.0 3.0
   89    78   -84    85   0.23400  1.0 3.0
   89    78   -84    86   0.23400  1.0 3.0
   79    74    78    97   0.56750  1.0 1.0
   79    74    78    97  -0.07550 -1.0 2.0
   79    74    78    97   0.20000  1.0 3.0
   79    74    78    84   0.07850  1.0 1.0
   79    74    78    84  -0.03950 -1.0 2.0
   79    74    78    84   0.67350  1.0 3.0
   79    74    78    89   0.02550  1.0 1.0
   79    74    78    89  -0.02600 -1.0 2.0
   79    74    78    89   1.20400  1.0 3.0
  104   102    74    70   0.62750  1.0 1.0
  104   102    74    70  -0.30950 -1.0 2.0
  104   102    74    70   0.27300  1.0 3.0
  104   102    74    78  -0.26800  1.0 1.0
  104   102    74    78   0.69150 -1.0 2.0
  104   102    74    78  -0.48750  1.0 3.0
  104   102    74    79   0.62750  1.0 1.0
  104   102    74    79  -0.30950 -1.0 2.0
  104   102    74    79   0.27300  1.0 3.0
  104   105    40    33   0.36750  1.0 3.0
  104   105    40    41   0.00000  1.0 1.0
  104   105    40    42   0.00000  1.0 1.0
  106   105    40    33   0.30150 -1.0 2.0
  106   105    40    41   0.00000  1.0 1.0
  106   105    40    42   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   90    83    87    88   7.00000 -1.0 2.0
   90    83    87    94   7.00000 -1.0 2.0
   64    56    62    63   0.30150 -1.0 2.0
   64    56    62    66   0.30750  1.0 1.0
   64    56    62    66   1.13850 -1.0 2.0
   64    56    62    66   0.38850  1.0 3.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62  -0.95700  1.0 1.0
   58    54    56    62  -0.18200 -1.0 2.0
   58    54    56    62   0.29450  1.0 3.0
   58    54    56    64   0.86500  1.0 1.0
   58    54    56    64  -0.17500 -1.0 2.0
   58    54    56    64   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   45    44    43    38   1.10000 -1.0 2.0
   43    47    45    46  10.50000 -1.0 2.0
   56    66    62    63  10.50000 -1.0 2.0
   75    90    83    87   1.10000 -1.0 2.0
   94    88    87    83   1.10000 -1.0 2.0
  104    40   105   106  10.50000 -1.0 2.0
END
