* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    196    328     593
    1     0 S   NP   _N1_     1    29.69014    92.05970   -27.60675
    2     1 S   H    _HN1     2     1.02949    95.14728    12.56673
    3     1 S   H    _H1_     3     1.02827    18.33599  -119.15071
    4     1 S   H    _H2_     4     1.02789   125.72726  -104.47009
    5     1 S   CT   _CA1     5     1.50113   103.44358   124.99381
    6     5 S   HC   _HA1     6     1.09572   105.19091    76.84991
    7     5 S   CO3  _C1_     7     1.53788   112.48931   -43.39173
    8     7 S   O2Z  _O11     8     1.26373   115.00941   -42.11636
    9     7 S   O2Z  _O12     9     1.26242   114.94761   137.03056
   10     5 S   CT   _CB1    10     1.53075   107.41950  -165.15484
   11    10 S   HC   HB11    11     1.09835   109.37370   -49.57990
   12    10 S   HC   HB12    12     1.09812   110.44611    67.03196
   13    10 S   CT   _CG1    13     1.52991   112.60797  -170.54707
   14    13 S   HC   HG11    14     1.09580   110.64796   -65.83174
   15    13 S   HC   HG12    15     1.09670   109.77064    53.40511
   16    13 S   C    _CD1    16     1.51795   112.20146   173.87510
   17    16 S   O    _OE1    17     1.22729   123.26047     7.64437
   18    16 S   N    _N2_    18     1.38642   111.68014  -172.37265
   19    18 S   H    _HN2    19     1.01563   118.93323     1.87868
   20    18 S   CT1  _CA2    20     1.46261   123.45992   177.65348
   21    20 S   HC   _HA2    21     1.09737   109.39499     5.48577
   22    20 S   C    _C2_    22     1.53607   108.36086  -110.03164
   23    22 S   O    _O2_    23     1.23054   122.38839  -145.49141
   24    20 S   CT   _CB2    32     1.53519   111.62802   127.56257
   25    24 S   HC   HB21    33     1.09484   109.40782    56.38025
   26    24 S   HC   HB22    34     1.09336   109.55638   175.28167
   27    22 S   N    _N3_    24     1.38365   113.68528    41.75374
   28    27 S   H    _HN3    25     1.01566   119.61028    -2.77700
   29    24 S   S    _SG2    35     1.83109   111.00918   -63.95280
   30    27 S   CT   _CA3    26     1.45285   123.21594   177.35115
   31    30 S   HC   HA31    27     1.09548   107.47414   -65.61647
   32    30 S   HC   HA32    28     1.09557   108.03179    50.83278
   33    29 S   CT   _C23    36     1.93256   102.87379  -170.74704
   34    30 S   CO3  _C3_    29     1.52964   114.07855   172.86466
   35    34 S   O2Z  _O31    30     1.26375   116.07856    -0.60393
   36    34 S   O2Z  _O32    31     1.26427   114.41326   179.45751
   37    33 S   CM   _C10    37     1.52411   102.30189    66.69045
   38    37 S   HC   _H42    38     1.08849   117.85368   -89.87034
   39    33 S   CT   _C15    53     1.54418   106.08037   -52.34114
   40    39 S   HC   _H45    54     1.09677   110.89077    67.60253
   41    39 S   HC   _H46    55     1.09859   109.69827   -49.56918
   42    37 S   CMA  _C11    39     1.35151   123.17406    87.18294
   43    42 S   OM   _O28    40     1.25926   130.96986  -176.72792
   44    42 S   CM   _C8_    41     1.46446   117.59173     3.79308
   45    44 S   HC   _H40    42     1.08873   119.15520  -166.40724
   46    44 S   CM   _C9_    43     1.34530   122.49794    16.77868
   47    46 S   HC   _H41    44     1.08697   118.54545   176.02581
   48    33 S   CT   _C22    45     1.61672   112.25766  -174.05456
   49    48 S   CT   _C26    46     1.63371   112.20546   164.96473
   50    49 S   Cl   CL35    47     1.85937   109.60403    66.97621
   51    48 S   CT   _C28    97     1.55932   109.40197    41.79437
   52    51 S   HC   _H58    98     1.09313   112.24355    67.58950
   53    51 S   HC   _H59    99     1.09320   113.27911   -54.22889
   54    51 S   HC   _H60   100     1.09213   112.55652  -169.50947
   55    49 S   CT   _C18    48     1.57032   110.08146   -50.71451
   56    55 S   HC   _H51    49     1.09498   108.66983   -60.65226
   57    49 S   CT   _C21    68     1.57717   116.17691  -176.96281
   58    57 S   HC   _H54    69     1.09745   108.79753   -65.30203
   59    55 S   CT   _C14    50     1.53417   111.34145    56.34054
   60    59 S   HC   _H43    51     1.09688   109.62119  -177.80983
   61    59 S   HC   _H44    52     1.09563   111.54947    65.42651
   62    55 S   CT   _C19    56     1.54382   111.31849  -179.19400
   63    62 S   HC   _H52    57     1.09886   106.61030   -61.60601
   64    57 S   OH   _O34    70     1.42152   112.77160    51.57533
   65    64 S   HO   _H66    71     0.97247   107.94167  -171.64224
   66    62 S   CT   _C16    58     1.52437   118.61281  -178.84513
   67    66 S   HC   _H47    59     1.09640   111.09539   -43.05796
   68    66 S   HC   _H48    60     1.09541   111.34317    76.49034
   69    66 S   CT   _C20    61     1.55218   104.64616  -161.82585
   70    69 S   HC   _H53    62     1.09760   106.38870   122.73901
   71    69 S   CT   _C24    63     1.58133   106.56515     5.60179
   72    69 S   CT   _C27    93     1.52487   110.87514  -122.22873
   73    72 S   HC   _H55    94     1.09428   111.99470    60.90372
   74    72 S   HC   _H56    95     1.09589   110.21747   -58.38522
   75    72 S   HC   _H57    96     1.09343   111.02132  -176.87808
   76    62 S   CT   _C25    64     1.54869   114.22291    58.42074
   77    71 S   CO4  _C13    76     1.55111   112.71422   143.79434
   78    77 S   O    _O30    77     1.23309   121.20434    -2.14083
   79    71 S   OS   _O35    82     1.45011   110.72272   -89.42126
   80    76 S   CT   _C17    65     1.55081   107.06912   -59.05278
   81    80 S   HC   _H49    66     1.09516   110.41679   -67.53134
   82    80 S   HC   _H50    67     1.09566   109.35015   176.25054
   83    76 S   CT   _C29    72     1.55614   112.87539    62.57476
   84    83 S   HC   _H61    73     1.09393   112.97667    70.55745
   85    83 S   HC   _H62    74     1.09146   113.17965   -49.48634
   86    83 S   HC   _H63    75     1.09542   110.77203  -169.78381
   87    77 S   CT   _C30    78     1.51548   117.56304  -179.81443
   88    87 S   Cl   CL36    79     1.77235   109.91316  -147.31050
   89    87 S   HC   _H64    80     1.09196   109.66214    93.31932
   90    87 S   HC   _H65    81     1.09101   111.29277   -28.50760
   91    79 S   CO4  _C12    83     1.36240   123.20757   -85.16481
   92    91 S   O    _O29    84     1.22315   125.74169    -0.99130
   93    91 S   C5A  _C7_    85     1.43714   109.09720   179.25928
   94    93 S   C5BC _C5_    86     1.38266   132.92805    -0.74019
   95    94 S   HA   _H38    87     1.08108   126.30221    -0.04846
   96    94 S   C5BC _C4_    88     1.41523   106.69842  -180.00000
   97    96 S   HA   _H37    89     1.08050   127.58298   179.97202
   98    96 S   C5A  _C6_    90     1.37380   106.08641     0.00000
   99    98 S   HA   _H39    91     1.08035   133.80365   180.00000
  100    93 S   OA   _O33    92     1.36749   117.64049   179.29141
  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  12   5   4   3
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8   5
   1  14   6   5  14   8  22   6   2   1   1  12   9   5   8   6
   2   1   3   2   1   1   3   2   1   1   7   3   7   6   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    80    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    76    80    81    82    57    58    64    65    51    52    53    54  
   55    56    59    62    80    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    71    76    80    57    58    64    83  
   59    60    61    62    63    66    76    57  
   58    64    65    83    59    62    71    76    80    81    82  
   64    65    76    80    81    82  
   60    61    62    63    66    76  
   61    62  
   62  
   63    66    67    68    69    70    71    76    80    81    82    83    84    85    86    77    79    72  
   66    67    68    69    71    76    80    83  
   65    76    80    81    82  
   80  
   67    68    69    70    71    76    80    83    77    79    72    73    74    75  
   68    69    70    71    76    72  
   69    70    71    76    72  
   70    71    76    80    83    77    78    87    79    91    72    73    74    75  
   71    76    77    79    72    73    74    75  
   76    80    81    82    83    84    85    86    77    78    87    88    89    90    79    91    92    93    72    73    74    75  
   73    74    75    76    77    79  
   74    75  
   75  
    0  
   80    81    82    83    84    85    86    77    78    87    79    91  
   78    87    88    89    90    79    91    80    83  
   87    88    89    90    79  
   91    92    93    94   100    80    83    87  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96    98   100  
   93    94   100  
   94    95    96    97    98    99   100  
   95    96    97    98    99   100  
   96    97    98   100  
   97    98    99   100  
   98    99   100  
   99   100  
  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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   89   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   91   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   94   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   96   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  100   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   245.000  1.781
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    76   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    72   268.000  1.529
   71    76   268.000  1.529
   71    77   317.000  1.522
   71    79   320.000  1.410
   76    80   268.000  1.529
   76    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   570.000  1.229
   77    87   317.000  1.522
   87    88   245.000  1.781
   87    89   340.000  1.090
   87    90   340.000  1.090
   79    91   214.000  1.327
   91    92   570.000  1.229
   91    93   335.000  1.450
   93    94   546.000  1.367
   93   100   340.000  1.360
   94    95   367.000  1.080
   94    96   469.000  1.424
   96    97   367.000  1.080
   96    98   546.000  1.367
   98    99   367.000  1.080
   98   100   340.000  1.360
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    69.00000  109.80000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    80    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    69.00000  109.80000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    76    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    37.50000  110.70000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    76    71    58.35000  112.70000
   62    76    80    58.35000  112.70000
   62    76    83    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    76    58.35000  112.70000
   69    71    77    63.00000  111.10000
   69    71    79    50.00000  109.50000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   71    69    70    37.50000  110.70000
   71    76    80    58.35000  112.70000
   71    76    83    58.35000  112.70000
   71    77    78    80.00000  120.40000
   71    77    87    70.00000  116.00000
   71    79    91    83.00000  116.90000
   76    62    63    37.50000  110.70000
   76    62    66    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    57    58.35000  112.70000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    37.50000  110.70000
   80    57    58    37.50000  110.70000
   80    57    64    50.00000  109.50000
   82    80    81    33.00000  107.80000
   57    49    50    69.00000  109.80000
   57    49    55    58.35000  112.70000
   57    80    81    37.50000  110.70000
   57    80    82    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   83    76    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    71    76    63.00000  111.10000
   77    87    88    70.00000  110.66000
   77    87    89    35.00000  109.50000
   77    87    90    35.00000  109.50000
   87    77    78    80.00000  120.40000
   89    87    88    51.00000  107.60000
   90    87    88    51.00000  107.60000
   90    87    89    33.00000  107.80000
   79    71    76    50.00000  109.50000
   79    71    77    90.00000  108.74100
   79    91    92    83.00000  123.40000
   79    91    93    81.00000  111.40000
   91    93    94    55.00000  130.80000
   91    93   100    80.00000  119.06000
   93    91    92    80.00000  122.40000
   93    94    95    35.00000  125.70000
   93    94    96    70.00000  107.30000
   93   100    98    70.00000  106.50000
   94    96    97    35.00000  127.50000
   94    96    98    70.00000  107.30000
   96    94    95    35.00000  127.50000
   96    98    99    35.00000  132.10000
   96    98   100    70.00000  110.60000
   98    96    97    35.00000  125.70000
  100    93    94    70.00000  110.60000
  100    98    99    35.00000  113.40000
   72    69    70    37.50000  110.70000
   72    69    71    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
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   79    71    77    87   0.55300  1.0 1.0
   79    71    77    87   1.25850 -1.0 2.0
   79    71    77    87  -0.23600  1.0 3.0
   79    91    93    94   0.98750 -1.0 2.0
   79    91    93   100   0.56600 -1.0 2.0
   91    93    94    95   3.62500 -1.0 2.0
   91    93    94    96   3.62500 -1.0 2.0
   91    93   100    98   3.62500 -1.0 2.0
   92    91    93    94   1.05000 -1.0 2.0
   92    91    93   100   1.05000 -1.0 2.0
   93    94    96    97   3.62500 -1.0 2.0
   93    94   -96    98   3.62500 -1.0 2.0
   94    93  -100    98   3.62500 -1.0 2.0
   94    96    98    99   3.62500 -1.0 2.0
   94    96   -98   100   3.62500 -1.0 2.0
   95    94    96    97   3.62500 -1.0 2.0
   95    94    96    98   3.62500 -1.0 2.0
   96    98  -100    93   3.62500 -1.0 2.0
   97    96    98    99   3.62500 -1.0 2.0
   97    96    98   100   3.62500 -1.0 2.0
   99    98   100    93   3.62500 -1.0 2.0
  100    93    94    95   3.62500 -1.0 2.0
  100    93   -94    96   3.62500 -1.0 2.0
   72    69    71    76   0.56750  1.0 1.0
   72    69    71    76  -0.07550 -1.0 2.0
   72    69    71    76   0.20000  1.0 3.0
   72    69    71    77  -0.95700  1.0 1.0
   72    69    71    77  -0.18200 -1.0 2.0
   72    69    71    77   0.29450  1.0 3.0
   72    69    71    79   0.62750  1.0 1.0
   72    69    71    79  -0.30950 -1.0 2.0
   72    69    71    79   0.27300  1.0 3.0
   51    48    49    50   0.35600  1.0 1.0
   51    48    49    50  -0.14650 -1.0 2.0
   51    48    49    50   0.33350  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   71    87    77    78  10.50000 -1.0 2.0
   79    93    91    92  10.50000 -1.0 2.0
   94   100    93    91   4.00000 -1.0 2.0
   96    95    94    93   1.10000 -1.0 2.0
   98    97    96    94   1.10000 -1.0 2.0
  100    99    98    96   1.10000 -1.0 2.0
END
