* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    201    332     609
    1     0 S   NP   _N1_     1    28.85970    92.24916   -21.65988
    2     1 S   H    _HN1     2     1.02953   100.99303    13.38912
    3     1 S   H    _H1_     3     1.02825    22.82932   121.46033
    4     1 S   H    _H2_     4     1.02778    89.77750   -95.26042
    5     1 S   CT   _CA1     5     1.50137   132.19134   144.30451
    6     5 S   HC   _HA1     6     1.09570   105.22389    49.97303
    7     5 S   CO3  _C1_     7     1.53816   112.29934   -70.27850
    8     7 S   O2Z  _O11     8     1.26375   115.00443   -44.13609
    9     7 S   O2Z  _O12     9     1.26233   114.93755   134.84713
   10     5 S   CT   _CB1    10     1.53061   107.38551   167.94082
   11    10 S   HC   HB11    11     1.09828   109.43735   -49.33992
   12    10 S   HC   HB12    12     1.09830   110.38125    67.24967
   13    10 S   CT   _CG1    13     1.53013   112.66931  -170.36626
   14    13 S   HC   HG11    14     1.09596   110.45322   -62.68642
   15    13 S   HC   HG12    15     1.09645   110.03210    56.60740
   16    13 S   C    _CD1    16     1.51800   112.15046   176.97845
   17    16 S   O    _OE1    17     1.22755   123.22262    -1.92000
   18    16 S   N    _N2_    18     1.38647   111.72482   177.96972
   19    18 S   H    _HN2    19     1.01588   119.13951     1.95344
   20    18 S   CT1  _CA2    20     1.46287   123.25265  -178.15613
   21    20 S   HC   _HA2    21     1.09757   109.21011    -5.76718
   22    20 S   C    _C2_    22     1.53413   108.94499  -121.29607
   23    22 S   O    _O2_    23     1.23042   122.31495  -150.72518
   24    20 S   CT   _CB2    32     1.53852   111.58938   115.83372
   25    24 S   HC   HB21    33     1.09354   108.71490    58.09297
   26    24 S   HC   HB22    34     1.09134   109.09454   177.62183
   27    22 S   N    _N3_    24     1.38364   113.60521    36.97775
   28    27 S   H    _HN3    25     1.01629   119.46081    -3.91922
   29    24 S   S    _SG2    35     1.82250   110.36355   -61.69478
   30    27 S   CT   _CA3    26     1.45277   123.11686   176.84446
   31    30 S   HC   HA31    27     1.09554   107.55964   -62.89369
   32    30 S   HC   HA32    28     1.09559   107.90062    53.49491
   33    29 S   CT   _C10    36     1.98595   106.49842  -173.18770
   34    30 S   CO3  _C3_    29     1.52928   114.16959   175.46046
   35    34 S   O2Z  _O31    30     1.26363   116.08245    -0.53486
   36    34 S   O2Z  _O32    31     1.26435   114.40612   179.50941
   37    33 S   CT   _C11    37     1.59074   106.88023   -40.51464
   38    37 S   OM   _O36    38     1.32169   114.31224  -166.73505
   39    37 S   HC   _H4_    39     1.09831   106.13102   -34.69224
   40    33 S   CT   _C9_    62     1.67685   101.64601  -160.09894
   41    37 S   CO4  _C12    40     1.53145   112.92900    78.41476
   42    41 S   O    _O33    41     1.23056   122.46702  -147.03041
   43    40 S   CO4  _C18    63     1.54100   111.33850    47.73373
   44    43 S   O    _O37    64     1.23359   122.91693    33.17220
   45    40 S   CT   _C29    95     1.55539   115.28996   162.69706
   46    45 S   HC   _H32    96     1.08827   114.43840    41.84550
   47    45 S   HC   _H33    97     1.09704   111.88965   -80.44789
   48    45 S   HC   _H34    98     1.09108   111.83930   162.37139
   49    41 S   OS   _O34    42     1.35533   116.62441    31.19033
   50    43 S   CT   _C19    65     1.50095   118.00800  -156.19234
   51    50 S   HC   _H18    66     1.09612   105.85758   173.42959
   52    50 S   HC   _H19    67     1.09388   107.78903   -72.66592
   53    49 S   CT   _C13    43     1.43875   118.87233    22.79576
   54    53 S   HC   _H5_    44     1.09795   106.89356    54.37220
   55    50 S   CT   _C20    68     1.53672   113.59194    52.62111
   56    55 S   HC   _H6_    69     1.10118   105.76487    51.34943
   57    53 S   C5BC _C14    45     1.50940   109.06150   166.23622
   58    33 S   CT   _C5_    53     1.64208   109.08022    81.85676
   59    90 S   CT   _C21    70     1.62031   114.48512   173.85445
   60    55 S   CT   _C26    84     1.59109   108.41271   164.27471
   61    57 S   C5BC _C15    46     1.42570   127.15685  -143.87189
   62    61 S   HA   _H15    47     1.08090   127.32161    -1.12779
   63    58 S   CT   _C6_    54     1.55317   111.30337   126.54011
   64    63 S   HC   _H11    55     1.09836   110.46842  -174.17489
   65    63 S   HC   _H12    56     1.09442   109.76546    72.63070
   66    59 S   CT   _C22    71     1.54620   112.24407   -52.72827
   67    66 S   HC   _H20    72     1.09068   111.85527   -75.80233
   68    66 S   HC   _H21    73     1.09197   113.40051    44.33749
   69    60 S   CT   _C27    85     1.53966   114.85198    40.28284
   70    69 S   HC   _H25    86     1.09689   110.72576   172.94793
   71    69 S   HC   _H26    87     1.09173   112.06350    54.94003
   72    69 S   HC   _H27    88     1.09441   112.44712   -67.10543
   73    60 S   CT   _C28    89     1.54431   109.30777   -81.12446
   74    73 S   HC   _H28    90     1.09664   110.93525  -177.27811
   75    73 S   HC   _H29    91     1.09628   110.70781   -59.83880
   76    73 S   HC   _H30    92     1.09347   112.52346    61.72209
   77    60 S   OH   _O41    93     1.42335   111.85191   162.40190
   78    77 S   HO   _H31    94     0.97209   108.84656   177.12479
   79    58 S   CT   _C4_    99     1.56114   114.58770     7.16325
   80    79 S   HC   _H8_   100     1.09344   112.20733   -69.29171
   81    79 S   HC   _H9_   101     1.09668   111.52609   171.60754
   82    79 S   HC   _H10   102     1.09323   112.94851    54.05060
   83    61 S   C5A  _C16    48     1.37439   106.67746   178.99770
   84    83 S   HA   _H16    49     1.08021   133.82189   179.72375
   85    63 S   CT   _C7_    57     1.53048   116.32639   -52.16137
   86    85 S   HC   _H13    58     1.09320   106.41091   151.24955
   87    85 S   HC   _H14    59     1.09466   107.44957   -96.07894
   88    66 S   OS   _O38    74     1.44008   112.85127   165.00446
   89    83 S   OA   _O35    50     1.35653   110.48557    -0.66027
   90    85 S   CT   _C8_    60     1.55061   115.37627    27.24657
   91    90 S   HC   _H3_    61     1.09442   104.93249   -76.89249
   92    88 S   CO4  _C23    75     1.35407   119.05353   -54.66864
   93    92 S   O    _O39    76     1.22667   122.22058  -172.57683
   94    57 S   C5A  _C17    51     1.38266   127.86501    33.61070
   95    94 S   HA   _H17    52     1.08078   133.36052     1.13125
   96    92 S   CT   _C24    77     1.49974   115.08097     5.00641
   97    96 S   HC   _H22    78     1.09598   107.92809   165.46044
   98    96 S   HC   _H23    79     1.09644   106.99264   -78.81144
   99    59 S   CT   _C25    80     1.58938   105.23092    63.81699
  100    99 S   HC   _H7_    81     1.09282   110.00178    -5.53109
  101    99 S   OH   _O40    82     1.42482   112.95322   107.58601
  102   101 S   HO   _H24    83     0.97195   108.28328  -178.63126
  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
  29   2   1   1  13   6   5  23   6   2  16   6   9   3   2   1
   8  12   5   4  17   6  24   8  10  13  22  13   6   4  11   6
   5  12   5   4   9   4   3   2   5   3   2   1   1   1   4   2
   1   1   4   2   5   3   2   7   2   5   1   7   4   1   1   6
   4   3   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    41    53    58    63    90    40    43    45    79  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    49    53    54    57    58    63    64    65    85    90    91    40    43    44    50    59    45    46    47    48    79    80    81    82  
   35    36  
   36  
    0  
   38    39    41    42    49    53    58    63    90    40    43    45    79  
   39    41    42    49    58    40  
   41    42    49    58    40  
   43    44    50    51    52    55    59    66    99    45    46    47    48    79    41    53    58    63    85    86    87    90    91  
   42    49    53    54    57    58  
   49    53  
   44    50    51    52    55    56    59    60    45    46    47    48    58    85    90    91  
   50    51    52    55    45    90  
   46    47    48    50    58    59    85    90    91  
   47    48    90  
   48    90  
   90  
   53    54    57    61    94    58    63    79  
   51    52    55    56    59    66    99    60    69    73    77    90  
   52    55    56    59    60  
   55    56    59    60  
   54    57    61    62    83    89    94    95    58    63    64    65    85    79    80    81    82  
   57    61    94    58    63    79  
   56    59    66    67    68    88    96    99   100   101    60    69    70    71    72    73    74    75    76    77    78    85    90    91  
   59    66    99    60    69    73    77    90  
   61    62    83    84    89    94    95    58    63    79  
   63    64    65    85    86    87    90    79    80    81    82    61    94  
   66    67    68    88    92    96    97    98    99   100   101   102    60    69    73    77    63    85    86    87    90    91  
   69    70    71    72    73    74    75    76    77    78    66    90    99  
   62    83    84    89    94    95  
   83    84    89    94  
   64    65    85    86    87    90    91    79    80    81    82  
   65    85    86    87    90    79  
   85    86    87    90    79  
   67    68    88    92    93    96    99   100   101    85    90    91  
   68    88    92    99    90  
   88    92    99    90  
   70    71    72    73    74    75    76    77    78  
   71    72    73    77  
   72    73    77  
   73    77  
   74    75    76    77    78  
   75    76    77  
   76    77  
   77  
   78  
    0  
   80    81    82    85  
   81    82  
   82  
    0  
   84    89    94    95  
   89    94  
   86    87    90    91    99  
   87    90    91  
   90    91  
   92    93    96    97    98    99    90  
   94    95  
   91    96    99   100   101  
   99  
   93    96    97    98    99   100   101  
   96    97    98    99  
   95  
    0  
   97    98    99   100   101   102  
   98    99   100   101  
   99   100   101  
  100   101   102  
  101   102  
  102  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   89   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    57   285.000  1.502
   53    58   268.000  1.529
   57    61   469.000  1.424
   57    94   546.000  1.367
   61    62   367.000  1.080
   61    83   546.000  1.367
   83    84   367.000  1.080
   83    89   340.000  1.360
   89    94   340.000  1.360
   94    95   367.000  1.080
   58    63   268.000  1.529
   58    79   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   268.000  1.529
   90    91   340.000  1.090
   90    40   268.000  1.529
   90    59   268.000  1.529
   40    43   317.000  1.522
   40    45   268.000  1.529
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    60   268.000  1.529
   59    66   268.000  1.529
   59    99   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    88   320.000  1.410
   88    92   214.000  1.327
   92    93   570.000  1.229
   92    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   320.000  1.410
  101   102   553.000  0.945
   60    69   268.000  1.529
   60    73   268.000  1.529
   60    77   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    58    53    58.35000  112.70000
   33    58    63    58.35000  112.70000
   33    58    79    58.35000  112.70000
   33    40    90    58.35000  112.70000
   33    40    43    63.00000  111.10000
   33    40    45    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    49    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    49    53    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    57    85.00000  111.85700
   49    53    58    50.00000  109.50000
   53    57    61    60.00000  130.00000
   53    57    94    60.00000  130.00000
   53    58    63    58.35000  112.70000
   53    58    79    58.35000  112.70000
   57    53    54    35.00000  109.50000
   57    61    62    35.00000  127.50000
   57    61    83    70.00000  107.30000
   57    94    89    70.00000  110.60000
   57    94    95    35.00000  132.10000
   61    83    84    35.00000  132.10000
   61    83    89    70.00000  110.60000
   83    61    62    35.00000  125.70000
   83    89    94    70.00000  106.50000
   89    83    84    35.00000  113.40000
   89    94    95    35.00000  113.40000
   94    57    61    70.00000  107.30000
   58    33    37    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    53    57    70.00000  112.17500
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    85    58.35000  112.70000
   58    79    80    37.50000  110.70000
   58    79    81    37.50000  110.70000
   58    79    82    37.50000  110.70000
   63    85    86    37.50000  110.70000
   63    85    87    37.50000  110.70000
   63    85    90    58.35000  112.70000
   65    63    64    33.00000  107.80000
   85    63    64    37.50000  110.70000
   85    63    65    37.50000  110.70000
   85    90    91    37.50000  110.70000
   85    90    40    58.35000  112.70000
   85    90    59    58.35000  112.70000
   87    85    86    33.00000  107.80000
   90    85    86    37.50000  110.70000
   90    85    87    37.50000  110.70000
   90    40    43    63.00000  111.10000
   90    40    45    58.35000  112.70000
   90    59    55    58.35000  112.70000
   90    59    66    58.35000  112.70000
   90    59    99    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    90    91    37.50000  110.70000
   40    43    44    80.00000  120.40000
   40    43    50    70.00000  116.00000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    50    51    35.00000  109.50000
   43    50    52    35.00000  109.50000
   43    50    55    63.00000  111.10000
   50    43    44    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    66    58.35000  112.70000
   55    59    99    58.35000  112.70000
   55    60    69    58.35000  112.70000
   55    60    73    58.35000  112.70000
   55    60    77    50.00000  109.50000
   59    90    91    37.50000  110.70000
   59    90    40    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    88    50.00000  109.50000
   59    99    96    58.35000  112.70000
   59    99   100    37.50000  110.70000
   59    99   101    50.00000  109.50000
   66    88    92    83.00000  116.90000
   68    66    67    33.00000  107.80000
   88    66    67    35.00000  109.50000
   88    66    68    35.00000  109.50000
   88    92    93    83.00000  123.40000
   88    92    96    81.00000  111.40000
   92    96    97    35.00000  109.50000
   92    96    98    35.00000  109.50000
   92    96    99    63.00000  111.10000
   96    92    93    80.00000  120.40000
   96    99   100    37.50000  110.70000
   96    99   101    50.00000  109.50000
   98    96    97    33.00000  107.80000
   99    59    66    58.35000  112.70000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   101   102    55.00000  108.50000
  101    99   100    35.00000  109.50000
   60    55    56    37.50000  110.70000
   60    55    59    58.35000  112.70000
   60    69    70    37.50000  110.70000
   60    69    71    37.50000  110.70000
   60    69    72    37.50000  110.70000
   60    73    74    37.50000  110.70000
   60    73    75    37.50000  110.70000
   60    73    76    37.50000  110.70000
   60    77    78    55.00000  108.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    60    69    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    60    69    50.00000  109.50000
   77    60    73    50.00000  109.50000
   45    40    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   79    58    63    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
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   67    66    88    92   0.08050  1.0 3.0
   68    66    88    92   0.08050  1.0 3.0
   88    92    96    97   0.00000  1.0 1.0
   88    92    96    98   0.00000  1.0 1.0
   88    92    96    99   0.36750  1.0 3.0
   92    96   -99    59  -0.95700  1.0 1.0
   92    96   -99    59  -0.18200 -1.0 2.0
   92    96   -99    59   0.29450  1.0 3.0
   92    96    99   100  -0.11250  1.0 3.0
   92    96    99   101  -0.09450  1.0 1.0
   92    96    99   101  -1.12950 -1.0 2.0
   92    96    99   101   0.54000  1.0 3.0
   93    92    96    97   0.00000  1.0 1.0
   93    92    96    98   0.00000  1.0 1.0
   93    92    96    99   0.30150 -1.0 2.0
   96    99   101   102  -0.11600  1.0 1.0
   96    99   101   102  -0.09450 -1.0 2.0
   96    99   101   102   0.21250  1.0 3.0
   97    96    99    59   0.15000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.23400  1.0 3.0
   98    96    99    59   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.23400  1.0 3.0
   99    59    66    67   0.15000  1.0 3.0
   99    59    66    68   0.15000  1.0 3.0
   99    59   -66    88   0.62750  1.0 1.0
   99    59   -66    88  -0.30950 -1.0 2.0
   99    59   -66    88   0.27300  1.0 3.0
  100    99   101   102   0.19450  1.0 3.0
   60    55    59    90   0.56750  1.0 1.0
   60    55    59    90  -0.07550 -1.0 2.0
   60    55    59    90   0.20000  1.0 3.0
   60    55    59    66   0.56750  1.0 1.0
   60    55    59    66  -0.07550 -1.0 2.0
   60    55    59    66   0.20000  1.0 3.0
   60    55    59    99   0.56750  1.0 1.0
   60    55    59    99  -0.07550 -1.0 2.0
   60    55    59    99   0.20000  1.0 3.0
   69    60    73    74   0.15000  1.0 3.0
   69    60    73    75   0.15000  1.0 3.0
   69    60    73    76   0.15000  1.0 3.0
   69    60    77    78  -0.11600  1.0 1.0
   69    60    77    78  -0.09450 -1.0 2.0
   69    60    77    78   0.21250  1.0 3.0
   73    60    69    70   0.15000  1.0 3.0
   73    60    69    71   0.15000  1.0 3.0
   73    60    69    72   0.15000  1.0 3.0
   73    60    77    78  -0.11600  1.0 1.0
   73    60    77    78  -0.09450 -1.0 2.0
   73    60    77    78   0.21250  1.0 3.0
   77    60    69    70   0.23400  1.0 3.0
   77    60    69    71   0.23400  1.0 3.0
   77    60    69    72   0.23400  1.0 3.0
   77    60    73    74   0.23400  1.0 3.0
   77    60    73    75   0.23400  1.0 3.0
   77    60    73    76   0.23400  1.0 3.0
   45    40    43    44   0.30150 -1.0 2.0
   45    40    43    50   0.60050  1.0 1.0
   45    40    43    50   0.05600 -1.0 2.0
   45    40    43    50   0.26150  1.0 3.0
   79    58    63    64   0.15000  1.0 3.0
   79    58    63    65   0.15000  1.0 3.0
   79    58    63    85   0.56750  1.0 1.0
   79    58    63    85  -0.07550 -1.0 2.0
   79    58    63    85   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
   61    94    57    53   4.00000 -1.0 2.0
   83    62    61    57   1.10000 -1.0 2.0
   89    84    83    61   1.10000 -1.0 2.0
   89    95    94    57   1.10000 -1.0 2.0
   40    50    43    44  10.50000 -1.0 2.0
   88    96    92    93  10.50000 -1.0 2.0
END
