* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    202    335     612
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059   101.86532   -43.95759
    3     1 S   H    _H1_     3     1.02088    74.57671    62.41287
    4     1 S   H    _H2_     4     1.02089    39.68343  -148.94337
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C15    36     1.83125    97.86996   161.85576
   34    33 S   HC   _H3_    37     1.09788   105.62414   -69.00237
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C9_    38     1.53234   107.55442    39.96771
   39    38 S   O    _O28    39     1.23135   120.97848   -56.29809
   40    38 S   OS   _O33    40     1.35736   119.31111   124.71598
   41    40 S   CT   _C14    41     1.46409   126.83721    -5.08014
   42    41 S   HC   _H46    42     1.09576   106.29686   100.19370
   43    41 S   C5BC _C7_    43     1.48576   109.26086  -147.60857
   44    41 S   CT   _C20    51     1.56206   110.13788   -21.02309
   45    43 S   C5BC _C4_    44     1.41490   127.04631    36.62493
   46    45 S   HA   _H37    45     1.08071   127.74322    -0.02798
   47    44 S   CT   _C13    52     1.54276   113.78742   173.72421
   48    47 S   HC   _H44    53     1.09757   111.03121    60.12164
   49    47 S   HC   _H45    54     1.09498   109.93838   -55.26513
   50    44 S   CT   _C25   100     1.56823   105.85796   -69.26442
   51    50 S   HC   _H54   101     1.07649   107.76237    58.38042
   52    50 S   HC   _H55   102     1.07544   107.78000   -61.54761
   53    50 S   HC   _H56   103     1.07485   107.75987   178.38784
   54    45 S   C5A  _C5_    46     1.37542   106.17559   179.97202
   55    54 S   HA   _H38    47     1.08006   133.78043   179.95577
   56    47 S   CT   _C12    55     1.54454   112.81900  -178.15379
   57    56 S   HC   _H42    56     1.09486   108.06593   153.24290
   58    56 S   HC   _H43    57     1.09545   107.61398   -92.57638
   59    54 S   OA   _O30    48     1.35838   110.52967     0.03956
   60    56 S   CT   _C17    58     1.54554   114.63069    27.87816
   61    60 S   HC   _H49    59     1.09080   105.25404   -76.50843
   62    43 S   C5A  _C6_    49     1.37587   126.86254  -143.40573
   63    62 S   HA   _H39    50     1.08059   133.92069     0.09279
   64    60 S   CT   _C19    60     1.56530   111.67181    35.68586
   65    64 S   CO4  _C8_    61     1.55794   112.91362   172.98919
   66    65 S   O    _O27    62     1.23579   121.27899   161.63361
   67    33 S   CT   _C22    93     1.54940   117.94816   170.17937
   68    64 S   CT   _C24    96     1.56596   110.47185    60.83944
   69    68 S   HC   _H51    97     1.07625   107.90849   -60.33781
   70    68 S   HC   _H52    98     1.07734   107.84736   179.71129
   71    68 S   HC   _H53    99     1.07570   107.88213    59.75094
   72    65 S   CT   _C11    63     1.52568   119.74629   -27.42083
   73    72 S   HC   _H40    64     1.09723   107.75821   156.96113
   74    72 S   HC   _H41    65     1.09317   108.57496   -86.80600
   75    67 S   OH   _O36    94     1.46235   100.21747   163.73200
   76    75 S   HO   _H68    95     0.96002   104.39558   -59.98648
   77    72 S   CT   _C16    66     1.51094   110.34419    37.65155
   78    77 S   HC   _H48    67     1.10290   104.46666    57.22380
   79    60 S   CT   _C21    68     1.56123   115.95393   172.11696
   80    79 S   CT   _C18    69     1.54909   115.85728    65.80503
   81    80 S   HC   _H50    70     1.09889   110.44710    38.47191
   82    79 S   CT   _C29    88     1.54465   114.27359   -62.49550
   83    82 S   HC   _H65    89     1.08428   109.05238   -80.98661
   84    82 S   HC   _H66    90     1.08419   109.00894   158.09506
   85    80 S   OS   _O34    71     1.45457   104.55633   152.94533
   86    80 S   CT   _C28    81     1.52137   118.31915   -86.91276
   87    86 S   HC   _H63    82     1.09328   109.20254   -73.26353
   88    86 S   HC   _H64    83     1.09352   109.20275    46.20168
   89    82 S   OH   _O37    91     1.41015   107.84188    38.54561
   90    89 S   HO   _H69    92     0.97341   107.38608   179.96044
   91    77 S   CT   _C23    72     1.53230   121.01489   175.14030
   92    86 S   C    _C10    84     1.50661   111.88278   166.48004
   93    92 S   O    _O29    85     1.22205   126.29387     0.59610
   94    91 S   CT   _C26    73     1.52888   115.56281    34.13266
   95    94 S   HC   _H57    74     1.08813   109.70451  -179.97202
   96    94 S   HC   _H58    75     1.08839   109.73384    60.06156
   97    94 S   HC   _H59    76     1.08822   109.71367   -59.99253
   98    91 S   CT   _C27    77     1.53450   111.24332   -90.21182
   99    98 S   HC   _H60    78     1.08647   109.46964   179.98022
  100    98 S   HC   _H61    79     1.08604   109.44591    60.04472
  101    98 S   HC   _H62    80     1.08651   109.47094   -60.01664
  102    92 S   OH   _O35    86     1.35747   109.93588  -179.40719
  103   102 S   HO   _H67    87     0.98099   111.94518  -179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1   9   3   9  20   7  11  19   6   4  15   7
   6   7   3   2   1   4   2  12   5   4   2  23   8   1   1  16
  14   6   8   6   2   1   1  11   5   4   1   1  19   7  15  15
   7   7   3   2  13   7   4   3   1   1   8   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    64    67    75  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    60    64    65    67    75    76    68    50  
   38    39    40    44    64    67    75  
   36    37  
   37  
    0  
   39    40    41    42    43    44    64    67    75  
   40    41    67  
   41    42    43    45    62    44    47    67    50  
   42    43    45    46    54    59    62    63    44    47    48    49    56    64    67    75    50    51    52    53  
   43    45    62    44    47    67    50  
   45    46    54    55    59    62    63    44    47    67    50  
   47    48    49    56    57    58    60    64    65    67    75    76    68    50    51    52    53    45    62  
   46    54    55    59    62    63  
   54    55    59    62  
   48    49    56    57    58    60    61    64    79    67    75    50    51    52    53  
   49    56    57    58    60    67    50  
   56    57    58    60    67    50  
   51    52    53    56    64    67    75  
   52    53    67  
   53    67  
   67  
   55    59    62    63  
   59    62  
   57    58    60    61    64    65    77    79    80    82    67    68  
   58    60    61    64    79  
   60    61    64    79  
   62    63  
   61    64    65    66    72    77    78    79    80    81    85    91    86    82    83    84    89    67    75    68    69    70    71  
   64    65    77    79    80    82    67    68  
   63  
    0  
   65    66    72    73    74    77    79    80    82    67    75    76    68    69    70    71  
   66    72    73    74    77    78    79    91    67    75    68    69    70    71  
   72    73    74    77    67    68  
   75    76    68    69    70    71    72    79  
   69    70    71    72    75    79  
   70    71  
   71  
    0  
   73    74    77    78    79    80    85    91    94    98    82  
   74    77    78    79    91  
   77    78    79    91  
   76  
    0  
   78    79    80    81    85    91    94    95    96    97    98    99   100   101    86    82    83    84    89  
   79    80    85    91    94    98    82  
   80    81    85    91    94    98    86    87    88    92    82    83    84    89    90  
   81    85    91    94    98    86    87    88    92    93   102    82    83    84    89  
   85    91    86    87    88    92    82  
   83    84    89    90    85    86    91  
   84    89    90  
   89    90  
   91    94    95    96    97    98    99   100   101    86    87    88    92  
   87    88    92    93   102   103    91  
   88    92    93   102  
   92    93   102  
   90  
    0  
   94    95    96    97    98    99   100   101  
   93   102   103  
  102   103  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    0  
  103  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.145000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.450000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    67   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    62   546.000  1.367
   45    46   367.000  1.080
   45    54   546.000  1.367
   54    55   367.000  1.080
   54    59   340.000  1.360
   59    62   340.000  1.360
   62    63   367.000  1.080
   44    47   268.000  1.529
   44    67   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    79   268.000  1.529
   64    65   317.000  1.522
   64    67   268.000  1.529
   64    68   268.000  1.529
   65    66   570.000  1.229
   65    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    91   268.000  1.529
   79    80   268.000  1.529
   79    82   268.000  1.529
   80    81   340.000  1.090
   80    85   320.000  1.410
   80    86   268.000  1.529
   85    91   320.000  1.410
   91    94   268.000  1.529
   91    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    92   317.000  1.522
   92    93   570.000  1.229
   92   102   450.000  1.364
  102   103   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   320.000  1.410
   89    90   553.000  0.945
   67    75   320.000  1.410
   75    76   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    67    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    67    44    58.35000  112.70000
   33    67    64    58.35000  112.70000
   33    67    75    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    62    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    67    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    54    70.00000  107.30000
   43    62    59    70.00000  110.60000
   43    62    63    35.00000  132.10000
   45    54    55    35.00000  132.10000
   45    54    59    70.00000  110.60000
   54    45    46    35.00000  125.70000
   54    59    62    70.00000  106.50000
   59    54    55    35.00000  113.40000
   59    62    63    35.00000  113.40000
   62    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    67    64    58.35000  112.70000
   44    67    75    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    79    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    65    63.00000  111.10000
   60    64    67    58.35000  112.70000
   60    64    68    58.35000  112.70000
   60    79    77    58.35000  112.70000
   60    79    80    58.35000  112.70000
   60    79    82    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    65    66    80.00000  120.40000
   64    65    72    70.00000  116.00000
   64    67    75    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    77    63.00000  111.10000
   72    65    66    80.00000  120.40000
   72    77    78    37.50000  110.70000
   72    77    79    58.35000  112.70000
   72    77    91    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    79    80    58.35000  112.70000
   77    79    82    58.35000  112.70000
   77    91    85    50.00000  109.50000
   77    91    94    58.35000  112.70000
   77    91    98    58.35000  112.70000
   79    60    61    37.50000  110.70000
   79    60    64    58.35000  112.70000
   79    77    78    37.50000  110.70000
   79    80    81    37.50000  110.70000
   79    80    85    50.00000  109.50000
   79    80    86    58.35000  112.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    89    50.00000  109.50000
   80    85    91    60.00000  109.50000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    92    63.00000  111.10000
   85    80    81    35.00000  109.50000
   85    91    94    50.00000  109.50000
   85    91    98    50.00000  109.50000
   91    77    78    37.50000  110.70000
   91    77    79    58.35000  112.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    37.50000  110.70000
   91    98    99    37.50000  110.70000
   91    98   100    37.50000  110.70000
   91    98   101    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    91    94    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    85    50.00000  109.50000
   86    92    93    80.00000  120.40000
   86    92   102    70.00000  108.00000
   88    86    87    33.00000  107.80000
   92    86    87    35.00000  109.50000
   92    86    88    35.00000  109.50000
   92   102   103    35.00000  113.00000
  102    92    93   100.00000  123.32000
   82    79    80    58.35000  112.70000
   82    89    90    55.00000  108.50000
   84    82    83    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    84    35.00000  109.50000
   67    33    34    37.50000  110.70000
   67    33    38    63.00000  111.10000
   67    44    47    58.35000  112.70000
   67    64    65    63.00000  111.10000
   67    75    76    55.00000  108.50000
   68    64    65    63.00000  111.10000
   68    64    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   50    44    47    58.35000  112.70000
   50    44    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
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   85    91    98    99   0.23400  1.0 3.0
   85    91    98   100   0.23400  1.0 3.0
   85    91    98   101   0.23400  1.0 3.0
   91    77    79    60   0.56750  1.0 1.0
   91    77    79    60  -0.07550 -1.0 2.0
   91    77    79    60   0.20000  1.0 3.0
   91    77   -79    80   0.56750  1.0 1.0
   91    77   -79    80  -0.07550 -1.0 2.0
   91    77   -79    80   0.20000  1.0 3.0
   91    77    79    82   0.56750  1.0 1.0
   91    77    79    82  -0.07550 -1.0 2.0
   91    77    79    82   0.20000  1.0 3.0
   94    91    98    99   0.15000  1.0 3.0
   94    91    98   100   0.15000  1.0 3.0
   94    91    98   101   0.15000  1.0 3.0
   98    91    94    95   0.15000  1.0 3.0
   98    91    94    96   0.15000  1.0 3.0
   98    91    94    97   0.15000  1.0 3.0
   86    80    85    91   0.06250  1.0 1.0
   86    80    85    91  -0.01100 -1.0 2.0
   86    80    85    91   0.28050  1.0 3.0
   86    92   102   103   1.50000  1.0 1.0
   86    92   102   103   2.45000 -1.0 2.0
   87    86    92    93   0.00000  1.0 1.0
   87    86    92   102   0.00000  1.0 1.0
   88    86    92    93   0.00000  1.0 1.0
   88    86    92   102   0.00000  1.0 1.0
   93    92   102   103   0.92200  1.0 1.0
   93    92   102   103   3.74100 -1.0 2.0
   82    79    80    81   0.15000  1.0 3.0
   82    79    80    85   0.62750  1.0 1.0
   82    79    80    85  -0.30950 -1.0 2.0
   82    79    80    85   0.27300  1.0 3.0
   82    79    80    86   0.56750  1.0 1.0
   82    79    80    86  -0.07550 -1.0 2.0
   82    79    80    86   0.20000  1.0 3.0
   83    82    89    90   0.19450  1.0 3.0
   84    82    89    90   0.19450  1.0 3.0
   67    33    38    39   0.30150 -1.0 2.0
   67    33   -38    40   0.36750  1.0 3.0
   67    44    47    48   0.15000  1.0 3.0
   67    44    47    49   0.15000  1.0 3.0
   67    44   -47    56   0.56750  1.0 1.0
   67    44   -47    56  -0.07550 -1.0 2.0
   67    44   -47    56   0.20000  1.0 3.0
   67    44    50    51   0.15000  1.0 3.0
   67    44    50    52   0.15000  1.0 3.0
   67    44    50    53   0.15000  1.0 3.0
   67    64    65    66   0.30150 -1.0 2.0
   67    64    65    72   0.60050  1.0 1.0
   67    64    65    72   0.05600 -1.0 2.0
   67    64    65    72   0.26150  1.0 3.0
   67    64    68    69   0.15000  1.0 3.0
   67    64    68    70   0.15000  1.0 3.0
   67    64    68    71   0.15000  1.0 3.0
   68    64    65    66   0.30150 -1.0 2.0
   68    64    65    72   0.60050  1.0 1.0
   68    64    65    72   0.05600 -1.0 2.0
   68    64    65    72   0.26150  1.0 3.0
   68    64    67    33   0.56750  1.0 1.0
   68    64    67    33  -0.07550 -1.0 2.0
   68    64    67    33   0.20000  1.0 3.0
   68    64    67    44   0.56750  1.0 1.0
   68    64    67    44  -0.07550 -1.0 2.0
   68    64    67    44   0.20000  1.0 3.0
   68    64    67    75   0.86500  1.0 1.0
   68    64    67    75  -0.17500 -1.0 2.0
   68    64    67    75   0.20800  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    67    33   0.56750  1.0 1.0
   50    44    67    33  -0.07550 -1.0 2.0
   50    44    67    33   0.20000  1.0 3.0
   50    44    67    64   0.56750  1.0 1.0
   50    44    67    64  -0.07550 -1.0 2.0
   50    44    67    64   0.20000  1.0 3.0
   50    44    67    75   0.86500  1.0 1.0
   50    44    67    75  -0.17500 -1.0 2.0
   50    44    67    75   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    62    43    41   4.00000 -1.0 2.0
   54    46    45    43   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   59    63    62    43   1.10000 -1.0 2.0
   64    72    65    66  10.50000 -1.0 2.0
   86   102    92    93  10.50000 -1.0 2.0
END
