* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    203    339     619
    1     0 S   NP   _N1_     1    28.49049    95.80706   -23.59940
    2     1 S   H    _HN1     2     1.02948    75.73645    17.77891
    3     1 S   H    _H1_     3     1.02829    34.80598   171.49040
    4     1 S   H    _H2_     4     1.02785   104.47987   -87.89600
    5     1 S   CT   _CA1     5     1.50120   137.63417   122.55058
    6     5 S   HC   _HA1     6     1.09573   105.18524    86.65554
    7     5 S   CO3  _C1_     7     1.53780   112.44678   -33.55938
    8     7 S   O2Z  _O11     8     1.26372   114.99952   -42.62934
    9     7 S   O2Z  _O12     9     1.26237   114.94657   136.45050
   10     5 S   CT   _CB1    10     1.53078   107.42034  -155.37279
   11    10 S   HC   HB11    11     1.09833   109.35177   -49.68389
   12    10 S   HC   HB12    12     1.09813   110.46152    66.92030
   13    10 S   CT   _CG1    13     1.52998   112.61502  -170.65691
   14    13 S   HC   HG11    14     1.09580   110.63869   -66.11347
   15    13 S   HC   HG12    15     1.09671   109.77614    53.12006
   16    13 S   C    _CD1    16     1.51806   112.19193   173.56380
   17    16 S   O    _OE1    17     1.22741   123.26157     7.81635
   18    16 S   N    _N2_    18     1.38658   111.69363  -172.30734
   19    18 S   H    _HN2    19     1.01579   118.98410     1.26517
   20    18 S   CT1  _CA2    20     1.46167   123.33647   177.29376
   21    20 S   HC   _HA2    21     1.09747   109.34096     1.62859
   22    20 S   C    _C2_    22     1.53551   108.65254  -113.78883
   23    22 S   O    _O2_    23     1.23060   122.28407  -148.39962
   24    20 S   CT   _CB2    32     1.53405   111.78767   123.58791
   25    24 S   HC   HB21    33     1.09563   109.83226    56.23791
   26    24 S   HC   HB22    34     1.09278   109.64410   174.73910
   27    22 S   N    _N3_    24     1.38326   113.69132    39.07418
   28    27 S   H    _HN3    25     1.01589   119.56461    -3.44583
   29    24 S   S    _SG2    35     1.82941   111.18652   -63.83024
   30    27 S   CT   _CA3    26     1.45281   123.21694   177.08677
   31    30 S   HC   HA31    27     1.09549   107.51850   -64.36121
   32    30 S   HC   HA32    28     1.09556   107.97534    52.07452
   33    29 S   CT   _C13    36     1.89538   102.96025  -158.16902
   34    30 S   CO3  _C3_    29     1.52960   114.07917   174.06542
   35    34 S   O2Z  _O31    30     1.26378   116.06679    -0.64285
   36    34 S   O2Z  _O32    31     1.26428   114.41200   179.41717
   37    33 S   CT   _C12    37     1.58410   109.74364   -45.84206
   38    37 S   HC   _H6_    38     1.09408   107.45722    55.20394
   39    33 S   CT   _C14    82     1.57776   107.18440  -165.76068
   40    39 S   HC   _H7_    83     1.09540   109.52762   151.98229
   41    37 S   CT   _C15    39     1.54460   113.10243   -63.10201
   42    41 S   HC   _H18    40     1.09429   111.15270    53.36712
   43    41 S   HC   _H19    41     1.09541   110.63286   -64.81602
   44    37 S   CT   _C11    59     1.55640   114.07197   171.70488
   45    44 S   HC   _H5_    60     1.09831   106.19228    67.65752
   46    39 S   OH   _O35    84     1.41770   115.14117    33.42329
   47    46 S   HO   _H17    85     0.97301   107.87030  -169.40766
   48    41 S   CT   _C16    42     1.52033   111.86840   173.76181
   49    48 S   HC   _H20    43     1.09695   109.28946  -179.82641
   50    48 S   HC   _H21    44     1.09713   108.76154   -64.86187
   51    44 S   CT   _C10    61     1.54280   113.09713   -47.24278
   52    51 S   HC   _H15    62     1.09374   112.17323  -123.02609
   53    51 S   HC   _H16    63     1.09653   108.54494   122.97716
   54    48 S   CT   _C17    45     1.53238   113.48557    57.10855
   55    54 S   HC   _H8_    46     1.10038   105.25628  -169.12728
   56    51 S   CT   _C9_    64     1.52072   114.38901    -0.08847
   57    56 S   HC   _H13    65     1.09618   108.58889   176.13426
   58    56 S   HC   _H14    66     1.09874   108.03845   -70.32284
   59    54 S   CT   _C22    47     1.53915   112.09979    76.16566
   60    59 S   HC   _H26    48     1.09615   109.57753   -70.94100
   61    59 S   HC   _H27    49     1.09676   110.22941    46.36788
   62    33 S   CT   _C8_    67     1.61271   112.74956    81.56538
   63    59 S   CT   _C21    50     1.53429   111.09852   168.55022
   64    63 S   HC   _H9_    51     1.09624   108.58551   146.35847
   65    62 S   CT   _C7_    68     1.58980   104.00719   118.00956
   66    65 S   HC   _H4_    69     1.09990   107.76932    79.03467
   67    62 S   CT   _C24    93     1.55528   115.93159    -1.93209
   68    67 S   HC   _H32    94     1.09289   113.18694    59.84160
   69    67 S   HC   _H33    95     1.09328   112.03920   -62.73511
   70    67 S   HC   _H34    96     1.09654   111.12027   179.92087
   71    63 S   CT   _C20    52     1.53058   113.27894    23.51367
   72    71 S   HC   _H24    53     1.09749   110.78139   -86.21333
   73    71 S   HC   _H25    54     1.09693   109.07036   158.26412
   74    65 S   CM   _C25    70     1.52133   118.45041  -162.92492
   75    65 S   CT   _C6_    80     1.54509   104.08399   -30.31717
   76    75 S   HC   _H3_    81     1.09670   111.34885   164.64651
   77    63 S   OH   _O36   101     1.42661   108.88696   -97.50805
   78    77 S   HO   _H28   102     0.97252   107.49389  -178.68136
   79    71 S   CT   _C19    55     1.52318   111.25407    36.71673
   80    79 S   HC   _H22    56     1.09792   107.40482    60.56490
   81    79 S   HC   _H23    57     1.09681   109.17795   174.88461
   82    74 S   CM   _C26    71     1.44760   117.44371   -81.90759
   83    82 S   HC   _H35    72     1.08475   119.01474     0.18131
   84    75 S   OS   _O34    86     1.43583   112.10067   -71.06364
   85    54 S   CT   _C18    58     1.56765   113.14250   -50.50521
   86    82 S   CM   _C27    73     1.33626   121.68365  -179.16796
   87    86 S   HC   _H36    74     1.08351   121.55680   179.97202
   88    84 S   CO4  _C5_    87     1.36269   117.32296  -160.10713
   89    88 S   O    _O33    88     1.22334   126.32127     0.90763
   90    86 S   CO4  _C28    75     1.47397   120.59731     0.43521
   91    90 S   O    _O37    76     1.22635   120.68753  -179.08315
   92    88 S   CT   _C4_    89     1.49818   109.46905  -178.84750
   93    92 S   HC   _H10    90     1.09295   109.83715   -59.40372
   94    92 S   HC   _H11    91     1.09372   109.35776  -178.37659
   95    92 S   HC   _H12    92     1.09286   109.82994    62.48303
   96    85 S   CT   _C23    97     1.55221   107.11862   -76.20894
   97    96 S   HC   _H29    98     1.09353   112.30339    62.00209
   98    96 S   HC   _H30    99     1.09649   110.67090   -57.73024
   99    96 S   HC   _H31   100     1.09345   112.64755  -176.78886
  100    90 S   OS   _O38    77     1.36736   116.99809     1.32677
  101    74 S   CM   _C29    78     1.33994   126.25323   101.50679
  102   101 S   HC   _H37    79     1.07865   126.89302    -1.90043
  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
  28   2   1   1  24  10  15   7  13   6   5  21   8   6   1  11
   5   4  12   6   5  16   7  12   4   3  12   6   5  12  10   6
  16   7   5   2   1   1   9   6   5  11   7   2   2   1   7   3
   2   8   4   6   4   5   3   5   4   4   2   3   2   1   1   3
   2   1   1   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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    56    62    65    75    39    40    46    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    85    44    45    51    56    57    58    62    65    66    74    75    76    39    40    46    47    84    67    68    69    70  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    79    85    44    45    51    52    53    56    62    65    75    39    40    46    67    96  
   41    42    43    48    85    44    45    51    62    39  
   40    46    47    84    88    67    41    44    56    62    65    66    74    75    76  
   46    47    84    62    65    75    76  
   42    43    48    49    50    54    55    59    85    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    56    57    58    62    96    97    98    99    48    54    55    59    71    79    80    81    85  
   51    52    53    56    96    54    79    85  
   47    84    62    65    75    76  
   75  
   49    50    54    55    59    60    61    63    79    85    96  
   50    54    55    59    85  
   54    55    59    85  
   52    53    56    57    58    62    65    67    96    54    79    85  
   53    56    57    58    62    85  
   56    57    58    62    85  
   55    59    60    61    63    64    71    79    80    81    85    96    97    98    99    77  
   59    60    61    63    79    85    96  
   57    58    62    65    66    74    75    67    68    69    70    85  
   58    62    65    67  
   62    65    67  
   60    61    63    64    71    72    73    79    85    96    77    78  
   61    63    64    71    85    77  
   63    64    71    85    77  
   65    66    74    82   101    75    76    84    67    68    69    70  
   64    71    72    73    79    80    81    85    77    78  
   71    72    73    79    77    78  
   66    74    82    83    86   100   101   102    75    76    84    88    67    68    69    70  
   74    82   101    75    76    84    67  
   68    69    70    74    75  
   69    70  
   70  
    0  
   72    73    79    80    81    85    96    77    78  
   73    79    80    81    85    77  
   79    80    81    85    77  
   82    83    86    87    90   100   101   102    75    76    84  
   76    84    88    89    92    82   101  
   84    88  
   78    79  
    0  
   80    81    85    96    97    98    99  
   81    85    96  
   85    96  
   83    86    87    90    91   100   101   102  
   86    87    90   101  
   88    89    92    93    94    95  
   96    97    98    99  
   87    90    91   100   101  
   90    91   100  
   89    92    93    94    95  
   92    93    94    95  
   91   100   101   102  
  100   101  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99  
   98    99  
   99  
    0  
  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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
  101   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   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    62   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    85   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    77   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    44   268.000  1.529
   85    96   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    65   268.000  1.529
   62    67   268.000  1.529
   65    66   340.000  1.090
   65    74   317.000  1.510
   65    75   268.000  1.529
   74    82   380.000  1.444
   74   101   549.000  1.340
   82    83   340.000  1.080
   82    86   549.000  1.340
   86    87   340.000  1.080
   86    90   320.000  1.462
   90    91   570.000  1.229
   90   100   214.000  1.327
  100   101   440.000  1.360
  101   102   340.000  1.080
   75    76   340.000  1.090
   75    39   268.000  1.529
   75    84   320.000  1.410
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   84    88   214.000  1.327
   88    89   570.000  1.229
   88    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   77    78   553.000  0.945
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    62    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    62    56    58.35000  112.70000
   33    62    65    58.35000  112.70000
   33    62    67    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    85    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    58.35000  112.70000
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    54    85    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    63    58.35000  112.70000
   54    85    79    58.35000  112.70000
   54    85    44    58.35000  112.70000
   54    85    96    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    71    58.35000  112.70000
   59    63    77    50.00000  109.50000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    79    58.35000  112.70000
   63    77    78    55.00000  108.50000
   71    63    64    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    85    58.35000  112.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   79    85    44    58.35000  112.70000
   79    85    96    58.35000  112.70000
   81    79    80    33.00000  107.80000
   85    54    55    37.50000  110.70000
   85    54    59    58.35000  112.70000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    44    45    37.50000  110.70000
   85    44    51    58.35000  112.70000
   85    96    97    37.50000  110.70000
   85    96    98    37.50000  110.70000
   85    96    99    37.50000  110.70000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    56    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    65    58.35000  112.70000
   56    62    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    74    70.00000  112.02700
   62    65    75    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   65    74    82    70.00000  124.00000
   65    74   101    70.00000  124.00000
   65    75    76    37.50000  110.70000
   65    75    39    58.35000  112.70000
   65    75    84    50.00000  109.50000
   74    65    66    35.00000  109.50000
   74    82    83    35.00000  120.00000
   74    82    86    70.00000  123.01800
   74   101   100    80.00000  120.01400
   74   101   102    35.00000  120.00000
   82    86    87    35.00000  120.00000
   82    86    90    65.00000  118.96000
   86    82    83    35.00000  120.00000
   86    90    91    80.00000  123.72100
   86    90   100    90.00000  111.29400
   90    86    87    40.00000  117.72500
   90   100   101    90.00000  114.22900
  100    90    91    83.00000  123.40000
  100   101   102    55.00000  109.52600
  101    74    82    70.00000  123.01800
   75    65    66    37.50000  110.70000
   75    65    74    70.00000  112.02700
   75    39    40    37.50000  110.70000
   75    39    46    50.00000  109.50000
   75    84    88    83.00000  116.90000
   39    33    37    58.35000  112.70000
   39    33    62    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   84    75    76    35.00000  109.50000
   84    75    39    50.00000  109.50000
   84    88    89    83.00000  123.40000
   84    88    92    81.00000  111.40000
   88    92    93    35.00000  109.50000
   88    92    94    35.00000  109.50000
   88    92    95    35.00000  109.50000
   92    88    89    80.00000  120.40000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   67    62    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   96    85    44    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   77    63    64    35.00000  109.50000
   77    63    71    50.00000  109.50000
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
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   90   100   101   102   0.50000 -1.0 2.0
   91    90   100   101   3.00000 -1.0 2.0
  101    74    82    83  -0.18600  1.0 3.0
  101    74   -82    86   0.28850  1.0 1.0
  101    74   -82    86   2.61350 -1.0 2.0
  101    74   -82    86   0.78400  1.0 3.0
   75    65    74    82   0.98200  1.0 1.0
   75    65    74    82  -0.11900 -1.0 2.0
   75    65    74    82   0.24250  1.0 3.0
   75    65    74   101   0.09850  1.0 1.0
   75    65    74   101   0.15250 -1.0 2.0
   75    65    74   101  -0.50650  1.0 3.0
   75    39    46    47  -0.11600  1.0 1.0
   75    39    46    47  -0.09450 -1.0 2.0
   75    39    46    47   0.21250  1.0 3.0
   75    84    88    89   3.00000 -1.0 2.0
   75    84    88    92   1.63150  1.0 1.0
   75    84    88    92   2.92000 -1.0 2.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    46   0.23400  1.0 3.0
   76    75    84    88   0.08050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.56750  1.0 1.0
   39    33    37    41  -0.07550 -1.0 2.0
   39    33    37    41   0.20000  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    62    56   0.56750  1.0 1.0
   39    33    62    56  -0.07550 -1.0 2.0
   39    33    62    56   0.20000  1.0 3.0
   39    33   -62    65   0.56750  1.0 1.0
   39    33   -62    65  -0.07550 -1.0 2.0
   39    33   -62    65   0.20000  1.0 3.0
   39    33    62    67   0.56750  1.0 1.0
   39    33    62    67  -0.07550 -1.0 2.0
   39    33    62    67   0.20000  1.0 3.0
   39    75    84    88  -0.25900  1.0 1.0
   39    75    84    88  -0.47000 -1.0 2.0
   39    75    84    88   0.11750  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   84    75    39    33   0.62750  1.0 1.0
   84    75    39    33  -0.30950 -1.0 2.0
   84    75    39    33   0.27300  1.0 3.0
   84    75    39    40   0.23400  1.0 3.0
   84    75    39    46   3.69350  1.0 1.0
   84    75    39    46  -1.82950 -1.0 2.0
   84    88    92    93   0.00000  1.0 1.0
   84    88    92    94   0.00000  1.0 1.0
   84    88    92    95   0.00000  1.0 1.0
   89    88    92    93   0.00000  1.0 1.0
   89    88    92    94   0.00000  1.0 1.0
   89    88    92    95   0.00000  1.0 1.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    74   0.34400  1.0 1.0
   67    62    65    74   0.09450 -1.0 2.0
   67    62    65    74   0.11100  1.0 3.0
   67    62    65    75   0.56750  1.0 1.0
   67    62    65    75  -0.07550 -1.0 2.0
   67    62    65    75   0.20000  1.0 3.0
   96    85    44    37   0.56750  1.0 1.0
   96    85    44    37  -0.07550 -1.0 2.0
   96    85    44    37   0.20000  1.0 3.0
   96    85    44    45   0.15000  1.0 3.0
   96    85    44    51   0.56750  1.0 1.0
   96    85    44    51  -0.07550 -1.0 2.0
   96    85    44    51   0.20000  1.0 3.0
   77    63    71    72   0.23400  1.0 3.0
   77    63    71    73   0.23400  1.0 3.0
   77    63    71    79   0.86500  1.0 1.0
   77    63    71    79  -0.17500 -1.0 2.0
   77    63    71    79   0.20800  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
   65    82    74   101   1.10000 -1.0 2.0
   74    83    82    86   1.10000 -1.0 2.0
   90    87    86    82   1.10000 -1.0 2.0
   86   100    90    91  10.50000 -1.0 2.0
  100   102   101    74   1.10000 -1.0 2.0
   84    92    88    89  10.50000 -1.0 2.0
END
