* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    203    334     614
    1     0 S   NP   _N1_     1    28.68447    94.18837   -21.57345
    2     1 S   H    _HN1     2     1.02776    93.51527   -76.87423
    3     1 S   H    _H1_     3     1.02960    90.97856    31.56315
    4     1 S   H    _H2_     4     1.02834    27.05876   159.27459
    5     1 S   CT   _CA1     5     1.50148   137.71952   153.99329
    6     5 S   HC   _HA1     6     1.09579   105.19998    61.75837
    7     5 S   CO3  _C1_     7     1.53789   112.28178   -58.35838
    8     7 S   O2Z  _O11     8     1.26367   114.98059   -45.07459
    9     7 S   O2Z  _O12     9     1.26238   114.88810   133.80707
   10     5 S   CT   _CB1    10     1.53072   107.39147   179.57342
   11    10 S   HC   HB11    11     1.09825   109.27246   -50.77317
   12    10 S   HC   HB12    12     1.09820   110.45388    65.76263
   13    10 S   CT   _CG1    13     1.53008   112.70134  -171.88729
   14    13 S   HC   HG11    14     1.09575   110.39181   -64.20807
   15    13 S   HC   HG12    15     1.09650   110.03042    54.98899
   16    13 S   C    _CD1    16     1.51838   112.24275   175.19719
   17    16 S   O    _OE1    17     1.22736   123.22908    -3.88091
   18    16 S   N    _N2_    18     1.38619   111.71039   176.52599
   19    18 S   H    _HN2    19     1.01595   118.98047     0.46814
   20    18 S   CT1  _CA2    20     1.46284   123.37778  -179.60140
   21    20 S   HC   _HA2    21     1.09735   109.40538   -10.48231
   22    20 S   C    _C2_    22     1.53437   108.42179  -126.16167
   23    22 S   O    _O2_    23     1.23021   122.19090  -146.36603
   24    20 S   CT   _CB2    32     1.53534   111.34600   111.61990
   25    24 S   HC   HB21    33     1.09279   109.13184    56.92011
   26    24 S   HC   HB22    34     1.09493   110.15094   175.13643
   27    22 S   N    _N3_    24     1.38493   113.41302    41.00342
   28    27 S   H    _HN3    25     1.01526   118.89537    -0.81637
   29    24 S   S    _SG2    35     1.82997   111.08075   -65.90379
   30    27 S   CT   _CA3    26     1.45452   123.55502   175.19238
   31    30 S   HC   HA31    27     1.09517   109.37539    21.73273
   32    30 S   HC   HA32    28     1.09502   107.09237   138.74665
   33    29 S   CT   _C10    36     1.90153   103.31072   156.45426
   34    30 S   CO3  _C3_    29     1.52912   112.99753  -101.84451
   35    34 S   O2Z  _O31    30     1.26413   115.35559   -46.00023
   36    34 S   O2Z  _O32    31     1.26348   115.01838   134.91218
   37    33 S   CT   _C9_    37     1.54547   105.00997   -71.32484
   38    37 S   HC   _H14    38     1.09420   112.13700   172.57165
   39    37 S   HC   _H15    39     1.09455   112.13703    55.10444
   40    33 S   CT   _C11    56     1.54333   109.67056    48.31111
   41    40 S   HC   _H16    57     1.09554   111.57838   -58.30288
   42    40 S   HC   _H17    58     1.09724   109.76346  -173.38195
   43    37 S   CO4  _C8_    40     1.51743   111.48062   -66.30164
   44    43 S   O    _O33    41     1.23159   120.91566   137.75857
   45    43 S   CT   _C7_    42     1.51279   117.73345   -47.87094
   46    45 S   HC   _H12    43     1.09589   108.54752   164.62216
   47    45 S   HC   _H13    44     1.09513   107.73335   -79.50270
   48    45 S   CT   _C6_    45     1.53009   113.17685    43.42928
   49    48 S   HC   _H10    46     1.09602   109.09614    76.44617
   50    48 S   HC   _H11    47     1.09688   107.61799  -169.74424
   51    33 S   CT   _C5_    48     1.60538   112.07070   169.12688
   52    51 S   CT   _C14    49     1.59219   110.03078   -64.17028
   53    52 S   F    F1__    50     1.38008   106.77597    60.54830
   54    51 S   CT   _C4_    97     1.56446   110.65291   174.49281
   55    54 S   HC   _H7_    98     1.09200   113.01714    73.14601
   56    54 S   HC   _H8_    99     1.09183   113.24849   -47.95951
   57    54 S   HC   _H9_   100     1.09382   111.52980  -165.44652
   58    52 S   CT   _C13    51     1.56437   111.45782   -54.98296
   59    58 S   HC   _H3_    52     1.09384   109.61874   -67.10450
   60    52 S   CT   _C15    71     1.55852   116.66371   175.06644
   61    60 S   HC   _H4_    72     1.09621   108.39654   -62.18455
   62    58 S   CT   _C12    53     1.53827   112.46519    51.43016
   63    62 S   HC   _H18    54     1.09712   109.32499  -171.36014
   64    62 S   HC   _H19    55     1.09612   110.00925    72.83898
   65    58 S   CT   _C18    59     1.53723   108.39271   174.11570
   66    65 S   HC   _H5_    60     1.10032   105.64583   -57.67600
   67    60 S   OH   _O38    73     1.41838   112.55771    55.81226
   68    67 S   HO   _H36    74     0.97245   107.87542  -175.52254
   69    65 S   CT   _C19    61     1.52687   119.13211  -176.15285
   70    69 S   HC   _H22    62     1.09580   110.24049   -45.01655
   71    69 S   HC   _H23    63     1.09473   111.93818    75.53106
   72    69 S   CT   _C20    64     1.54232   103.85512  -163.06275
   73    72 S   HC   _H6_    65     1.09419   109.31132   135.29690
   74    72 S   CT   _C21    66     1.54146   107.21549    10.11558
   75    65 S   CT   _C17    67     1.54953   113.74419    61.03595
   76    74 S   OS   _O34    79     1.42776   104.18541   -98.38902
   77    74 S   CO4  _C25    90     1.53831   113.25719   143.80330
   78    77 S   O    _O36    91     1.23264   121.42971   -22.85868
   79    75 S   CT   _C16    68     1.54435   106.95066   -60.90669
   80    79 S   HC   _H20    69     1.09701   109.83581   -66.23244
   81    79 S   HC   _H21    70     1.09510   109.69352   176.67145
   82    75 S   CT   _C27    75     1.55223   113.23274    61.23892
   83    82 S   HC   _H33    76     1.09503   112.44095    67.27800
   84    82 S   HC   _H34    77     1.09121   113.38329   -53.00471
   85    82 S   HC   _H35    78     1.09612   110.54240  -173.20667
   86    76 S   CO   _C22    80     1.43001   107.14744   -21.28122
   87    77 S   CT   _C26    92     1.52099   117.36112   158.46961
   88    87 S   HC   _H30    93     1.09020   109.73020    62.55681
   89    87 S   HC   _H31    94     1.09253   109.66751   -58.97698
   90    72 S   OS   _O35    81     1.42507   110.60789  -105.66768
   91    86 S   CT   _C23    82     1.52623   109.44055  -103.72672
   92    91 S   HC   _H24    83     1.09532   110.96433    62.96336
   93    91 S   HC   _H25    84     1.09500   111.26842   -56.38508
   94    91 S   HC   _H26    85     1.09526   111.22000  -178.36853
   95    86 S   CT   _C24    86     1.52371   108.86011   135.54279
   96    95 S   HC   _H27    87     1.09516   110.79444   -61.42158
   97    95 S   HC   _H28    88     1.09516   111.30293   179.81233
   98    95 S   HC   _H29    89     1.09503   111.31136    57.71365
   99    87 S   OH   _O37    95     1.41477   110.29052  -178.22414
  100    99 S   HO   _H32    96     0.97224   107.26671   178.22326
  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
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1
  18   8   5   1  12   6   5  13   6  19  13  15  10   4   6   2
   1   3   2   1   1   9   4   3   2   8   7   3   2   1   3   2
   1   1   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    62    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    62    63    64    40    41    42    60    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    62    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    65    54    43    48    51    52    58    59    62    63    64  
   42    51    58    62    63    64  
   51    58    62    63    64  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    60    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    62    65    79    60    61    67    54    55    56    57  
   53    58    59    62    63    64    65    66    69    75    79    80    81    60    61    67    68    54    55    56    57  
   58    59    62    65    79    60    61    67    54  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    65    66    69    70    71    72    74    75    79    60    61    67    82  
   62    63    64    65    66    69    75    60  
   61    67    68    82    62    65    74    75    79    80    81  
   67    68    75    79    80    81  
   63    64    65    66    69    75  
   64    65  
   65  
   66    69    70    71    72    73    74    75    79    80    81    82    83    84    85    76    90    77  
   69    70    71    72    74    75    79    82  
   68    75    79    80    81  
   79  
   70    71    72    73    74    75    79    82    76    86    90    77  
   71    72    73    74    75    90  
   72    73    74    75    90  
   73    74    75    79    82    76    86    90    91    95    77    78    87  
   74    75    76    86    90    77  
   75    79    80    81    82    83    84    85    76    86    90    91    95    77    78    87    88    89    99  
   79    80    81    82    83    84    85    76    86    90    77    78    87  
   86    90    91    92    93    94    95    96    97    98    77    78    87    79    82  
   78    87    88    89    99   100    79    82    86    90  
   87    88    89    99  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   90    91    92    93    94    95    96    97    98  
   88    89    99   100  
   89    99   100  
   99   100  
   91    92    93    94    95    96    97    98  
   92    93    94    95    96    97    98  
   93    94    95  
   94    95  
   95  
   96    97    98  
   97    98  
   98  
    0  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   367.000  1.332
   52    58   268.000  1.529
   52    60   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    75   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    90   320.000  1.410
   74    75   268.000  1.529
   74    76   320.000  1.410
   74    77   317.000  1.522
   75    79   268.000  1.529
   75    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    60   268.000  1.529
   60    61   340.000  1.090
   60    67   320.000  1.410
   67    68   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    86   320.000  1.380
   86    90   320.000  1.380
   86    91   250.000  1.527
   86    95   250.000  1.527
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   77    78   570.000  1.229
   77    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    99   320.000  1.410
   99   100   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    62    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    50.00000  109.50000
   51    52    58    58.35000  112.70000
   51    52    60    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    62    58.35000  112.70000
   52    58    65    58.35000  112.70000
   52    60    79    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    67    50.00000  109.50000
   58    52    53    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    40    58.35000  112.70000
   58    65    66    37.50000  110.70000
   58    65    69    58.35000  112.70000
   58    65    75    58.35000  112.70000
   62    58    59    37.50000  110.70000
   62    40    41    37.50000  110.70000
   62    40    42    37.50000  110.70000
   64    62    63    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    37.50000  110.70000
   42    40    41    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    62    58.35000  112.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    58.35000  112.70000
   65    75    74    58.35000  112.70000
   65    75    79    58.35000  112.70000
   65    75    82    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    58.35000  112.70000
   69    72    90    50.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    58.35000  112.70000
   72    74    76    50.00000  109.50000
   72    74    77    63.00000  111.10000
   72    90    86    60.00000  109.50000
   74    72    73    37.50000  110.70000
   74    75    79    58.35000  112.70000
   74    75    82    58.35000  112.70000
   74    76    86    60.00000  109.50000
   74    77    78    80.00000  120.40000
   74    77    87    70.00000  116.00000
   75    65    66    37.50000  110.70000
   75    65    69    58.35000  112.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    60    58.35000  112.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   79    60    61    37.50000  110.70000
   79    60    67    50.00000  109.50000
   81    79    80    33.00000  107.80000
   60    52    53    50.00000  109.50000
   60    52    58    58.35000  112.70000
   60    79    80    37.50000  110.70000
   60    79    81    37.50000  110.70000
   60    67    68    55.00000  108.50000
   67    60    61    35.00000  109.50000
   82    75    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    74    75    50.00000  109.50000
   76    86    90    92.60000  111.55000
   76    86    91    90.00000  108.56700
   76    86    95    90.00000  108.56700
   86    91    92    45.00000  108.72000
   86    91    93    45.00000  108.72000
   86    91    94    45.00000  108.72000
   86    95    96    45.00000  108.72000
   86    95    97    45.00000  108.72000
   86    95    98    45.00000  108.72000
   90    72    73    35.00000  109.50000
   90    72    74    50.00000  109.50000
   91    86    90    90.00000  108.56700
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   95    86    90    90.00000  108.56700
   95    86    91    65.00000  112.71400
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   77    74    75    63.00000  111.10000
   77    74    76    90.00000  108.74100
   77    87    88    35.00000  109.50000
   77    87    89    35.00000  109.50000
   77    87    99    90.00000  109.61100
   87    77    78    80.00000  120.40000
   87    99   100    55.00000  108.50000
   89    87    88    33.00000  107.80000
   99    87    88    35.00000  109.50000
   99    87    89    35.00000  109.50000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
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   60    52   -58    65   0.56750  1.0 1.0
   60    52   -58    65  -0.07550 -1.0 2.0
   60    52   -58    65   0.20000  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   82    75    79    80   0.15000  1.0 3.0
   82    75    79    81   0.15000  1.0 3.0
   82    75    79    60   0.56750  1.0 1.0
   82    75    79    60  -0.07550 -1.0 2.0
   82    75    79    60   0.20000  1.0 3.0
   76    74    75    65   0.62750  1.0 1.0
   76    74    75    65  -0.30950 -1.0 2.0
   76    74    75    65   0.27300  1.0 3.0
   76    74    75    79   0.62750  1.0 1.0
   76    74    75    79  -0.30950 -1.0 2.0
   76    74    75    79   0.27300  1.0 3.0
   76    74    75    82   0.62750  1.0 1.0
   76    74    75    82  -0.30950 -1.0 2.0
   76    74    75    82   0.27300  1.0 3.0
   76    74    77    78   0.30150 -1.0 2.0
   76    74    77    87   0.55300  1.0 1.0
   76    74    77    87   1.25850 -1.0 2.0
   76    74    77    87  -0.23600  1.0 3.0
   76    86   -90    72  -0.53350  1.0 1.0
   76    86   -90    72  -0.78350 -1.0 2.0
   76    86   -90    72   0.33750  1.0 3.0
   76    86    91    92   0.23400  1.0 3.0
   76    86    91    93   0.23400  1.0 3.0
   76    86    91    94   0.23400  1.0 3.0
   76    86    95    96   0.23400  1.0 3.0
   76    86    95    97   0.23400  1.0 3.0
   76    86    95    98   0.23400  1.0 3.0
   90    72    74    75   0.62750  1.0 1.0
   90    72    74    75  -0.30950 -1.0 2.0
   90    72    74    75   0.27300  1.0 3.0
   90    72   -74    76   1.11900  1.0 1.0
   90    72   -74    76  -1.16350 -1.0 2.0
   90    72   -74    76  -0.34150  1.0 3.0
   90    72    74    77  -0.09450  1.0 1.0
   90    72    74    77  -1.12950 -1.0 2.0
   90    72    74    77   0.54000  1.0 3.0
   90    86    91    92   0.23400  1.0 3.0
   90    86    91    93   0.23400  1.0 3.0
   90    86    91    94   0.23400  1.0 3.0
   90    86    95    96   0.23400  1.0 3.0
   90    86    95    97   0.23400  1.0 3.0
   90    86    95    98   0.23400  1.0 3.0
   91    86    90    72   0.06250  1.0 1.0
   91    86    90    72  -0.01100 -1.0 2.0
   91    86    90    72   0.28050  1.0 3.0
   91    86    95    96   0.15000  1.0 3.0
   91    86    95    97   0.15000  1.0 3.0
   91    86    95    98   0.15000  1.0 3.0
   95    86    90    72   0.06250  1.0 1.0
   95    86    90    72  -0.01100 -1.0 2.0
   95    86    90    72   0.28050  1.0 3.0
   95    86    91    92   0.15000  1.0 3.0
   95    86    91    93   0.15000  1.0 3.0
   95    86    91    94   0.15000  1.0 3.0
   77    74    75    65  -0.95700  1.0 1.0
   77    74    75    65  -0.18200 -1.0 2.0
   77    74    75    65   0.29450  1.0 3.0
   77    74    75    79  -0.95700  1.0 1.0
   77    74    75    79  -0.18200 -1.0 2.0
   77    74    75    79   0.29450  1.0 3.0
   77    74    75    82  -0.95700  1.0 1.0
   77    74    75    82  -0.18200 -1.0 2.0
   77    74    75    82   0.29450  1.0 3.0
   77    74    76    86  -1.11000  1.0 1.0
   77    74    76    86   0.50250 -1.0 2.0
   77    74    76    86   0.47450  1.0 3.0
   77    87    99   100   0.91850  1.0 1.0
   77    87    99   100   0.57950  1.0 3.0
   78    77    87    88   0.00000  1.0 1.0
   78    77    87    89   0.00000  1.0 1.0
   78    77    87    99   0.30150 -1.0 2.0
   88    87    99   100   0.19450  1.0 3.0
   89    87    99   100   0.19450  1.0 3.0
   54    51    52    53   0.39650  1.0 1.0
   54    51    52    53  -0.18350 -1.0 2.0
   54    51    52    53   0.41450  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    60   0.56750  1.0 1.0
   54    51    52    60  -0.07550 -1.0 2.0
   54    51    52    60   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    45    43    44  10.50000 -1.0 2.0
   74    87    77    78  10.50000 -1.0 2.0
END
