* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    202    320     611
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02105    98.87542    23.29577
    3     1 S   H    _H1_     3     1.02121    36.29298   132.84326
    4     1 S   H    _H2_     4     1.02087    79.69828   -84.21347
    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     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C22    36     1.82008    98.19214   -78.12919
   34    33 S   HC   _H3_    37     1.09648   106.85724   -60.04380
   35    33 S   HC   _H4_    38     1.09583   108.24322    55.37904
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C23    39     1.53603   112.67563   178.34235
   40    39 S   HC   _H60    40     1.09852   109.70562    57.02880
   41    39 S   CT   _C17    41     1.52521   113.36833   179.53648
   42    41 S   HC   _H51    42     1.09402   107.91151    58.13029
   43    39 S   NTH2 _N22   104     1.46762   108.11523   -60.21131
   44    43 S   H    _H63   105     0.99353   117.66232  -158.21833
   45    43 S   H    _H64   106     0.99358   117.69797    35.19712
   46    41 S   CT   _C14    43     1.53476   112.41781   -62.77240
   47    46 S   HC   _H48    44     1.09545   110.71922    64.14879
   48    46 S   CT   _C12    45     1.53144   109.71612  -174.47550
   49    48 S   HC   _H46    46     1.09544   108.47549   -67.92645
   50    46 S   OH   _O34   102     1.42701   109.34601   -53.32930
   51    50 S   HO   _H70   103     0.96931   106.44147   179.25244
   52    48 S   CT   _C15    47     1.53293   111.53475    52.19749
   53    52 S   HC   _H49    48     1.09498   109.74207  -175.74573
   54    48 S   OH   _O33   100     1.42241   109.77537   175.34478
   55    54 S   HO   _H69   101     0.97021   106.65999    60.06248
   56    52 S   CO   _C19    49     1.53894   110.23076   -52.66501
   57    52 S   OH   _O35    98     1.42837   110.16709    67.07661
   58    57 S   HO   _H71    99     0.96888   106.39492    59.95453
   59    56 S   OS   _O24    50     1.44867   108.82445   -67.97542
   60    41 S   OS   _O27    97     1.43394   107.17858   175.15228
   61    59 S   CT   _C7_    51     1.42896   105.87220  -122.54424
   62    61 S   HC   _H41    52     1.09561   109.21959   143.29148
   63    61 S   CT   _C8_    53     1.50985   103.65605    25.99366
   64    63 S   HC   _H42    54     1.09764   111.63046    74.82397
   65    63 S   CO   _C18    55     1.52460   113.80036  -160.47627
   66    65 S   HC   _H52    56     1.10765   108.68111   -73.78127
   67    56 S   OS   _O25    96     1.44630   108.86454   174.32764
   68    65 S   OS   _O26    57     1.42793   112.40941    44.82879
   69    65 S   OS   _O37    69     1.42444   110.30938   169.09598
   70    68 S   CT   _C16    58     1.43612   112.26668   -59.17106
   71    70 S   HC   _H50    59     1.09380   109.29807   -54.28064
   72    69 S   CT   _C13    70     1.43116   111.43969   178.03069
   73    72 S   HC   _H47    71     1.09590   105.96554     0.05234
   74    61 S   CT   _C11    60     1.53890   111.33684   -96.75631
   75    74 S   HC   _H45    61     1.10149   108.85957   -75.98868
   76    70 S   CT   _C21    64     1.52443   107.41734  -171.60008
   77    76 S   HC   _H56    65     1.09065   110.04304   -60.02764
   78    76 S   HC   _H57    66     1.09079   110.04829   179.02201
   79    72 S   CT   _C9_    72     1.53190   108.97459  -119.98440
   80    79 S   HC   _H43    73     1.09875   109.45191   -50.36062
   81    74 S   OH   _O30    62     1.42717   111.53662    41.31299
   82    81 S   HO   _H68    63     0.96905   106.50562   -59.98327
   83    76 S   OH   _O36    67     1.41649   108.59275    59.46629
   84    83 S   HO   _H72    68     0.97226   106.99924   179.98022
   85    79 S   CT   _C5_    74     1.53702   112.95469  -171.75724
   86    85 S   HC   _H39    75     1.09701   108.53334   173.96957
   87    79 S   OH   _O28    94     1.42826   110.31233    66.02930
   88    87 S   HO   _H66    95     0.96872   106.41678  -175.42594
   89    85 S   CT   _C4_    76     1.53537   110.02452    54.68754
   90    89 S   HC   _H37    77     1.09871   108.27231    66.45639
   91    89 S   HC   _H38    78     1.09838   109.82964  -178.03856
   92    85 S   NTH2 _N21    91     1.46776   111.66967   -69.01025
   93    92 S   H    _H61    92     0.99382   117.66955   -34.99456
   94    92 S   H    _H62    93     0.99361   117.69170   158.46733
   95    89 S   CT   _C6_    79     1.53484   112.63328   -55.08899
   96    95 S   HC   _H40    80     1.09670   109.85401   -67.14170
   97    72 S   CT   _C10    81     1.53558   107.37343   118.79040
   98    97 S   HC   _H44    82     1.10514   109.16795    47.89315
   99    95 S   NTH  _N23    85     1.46639   109.09630   176.43993
  100    99 S   H    _H65    86     1.01647   108.63075  -159.96271
  101    97 S   OH   _O29    83     1.43100   108.42907   -68.10598
  102   101 S   HO   _H67    84     0.96837   106.23081   -63.24204
  103    99 S   CT   _C20    87     1.45254   110.58315    79.56980
  104   103 S   HC   _H53    88     1.09290   110.12947   -60.17737
  105   103 S   HC   _H54    89     1.09332   110.23604   179.77619
  106   103 S   HC   _H55    90     1.09422   110.18923    59.82515
  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   7   5   4   3
  11   5   4   2   1   1  12   7  16   7   4   1   1  12   7  13
   7   4   1  11   7   3   1  11   4   1  11   3  15   8  11   6
  12   5   3  11  11  10   7  16   8   7   3   5   3   2  15   7
   1   1   1   1  13   8   4   1  13   6   5   3   1   1  11   6
   6   3   6   4   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    60    43    44    45  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    47    48    56    60    50    43    44    45  
   41    42    46    60    43    44    45  
   42    46    47    48    49    52    56    59    67    60    54    50    51    43    44    45  
   46    47    48    56    60    50    43  
   44    45    46    60  
   45  
    0  
   47    48    49    52    53    56    60    57    54    55    50    51  
   48    49    52    60    54    50    51  
   49    52    53    56    59    67    60    57    58    54    55    50    51  
   52    53    56    57    54    55    50  
   51    52    54    60  
    0  
   53    56    59    61    63    67    60    57    58    54    55  
   56    59    67    60    57    58    54  
   55    56    57  
    0  
   59    61    62    63    64    65    74    67    60    57    58  
   58    59    60    67  
    0  
   61    62    63    64    65    70    74    75    81    67    60  
   61    63    67  
   62    63    64    65    66    68    70    71    74    75    81    82    76    69    67  
   63    64    65    70    74    75    81    67  
   64    65    66    68    70    74    75    81    69    72    67  
   65    66    68    74    69    67  
   66    68    70    71    74    76    69    72    73    79    97    67  
   68    70    69    72    67  
   68    69    74  
   70    71    74    75    81    76    77    78    83    69    72  
   72    73    79    80    85    95    97    98   101    87    70  
   71    74    75    81    82    76    77    78    83    84  
   74    75    81    76    77    78    83  
   73    79    80    85    86    89    95    96    97    98   101   102    99    92    87    88  
   79    80    85    95    97    98   101    87  
   75    81    82    76    77    78    83  
   81    82    76  
   77    78    83    84    81  
   78    83    84  
   83    84  
   80    85    86    89    90    91    95    97    98   101    92    93    94    87    88  
   85    86    89    97    92    87    88  
   82  
    0  
   84  
    0  
   86    89    90    91    95    96    97    99    92    93    94    87    88  
   89    90    91    95    92    93    94    87  
   88    89    92    97  
    0  
   90    91    95    96    97    98   101    99   100   103    92    93    94  
   91    95    96    97    99    92  
   95    96    97    99    92  
   93    94    95  
   94  
    0  
   96    97    98   101   102    99   100   103   104   105   106  
   97    98   101    99   100   103  
   98   101   102    99   100   103  
  101   102    99  
  100   103   104   105   106   101  
  103   104   105   106  
  102  
    0  
  104   105   106  
  105   106  
  106  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   93   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   94   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
  100   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   300.000  1.468
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    60   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    56   250.000  1.527
   52    57   320.000  1.410
   56    59   320.000  1.380
   56    67   320.000  1.380
   56    60   320.000  1.380
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    74   268.000  1.529
   63    64   340.000  1.090
   63    65   250.000  1.527
   63    67   320.000  1.410
   65    66   340.000  1.090
   65    68   320.000  1.380
   65    69   320.000  1.380
   68    70   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   268.000  1.529
   74    75   340.000  1.090
   74    81   320.000  1.410
   81    82   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   320.000  1.410
   83    84   553.000  0.945
   69    72   320.000  1.410
   72    73   340.000  1.090
   72    79   268.000  1.529
   72    97   268.000  1.529
   79    80   340.000  1.090
   79    85   268.000  1.529
   79    87   320.000  1.410
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    92   300.000  1.468
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    95   268.000  1.529
   95    96   340.000  1.090
   95    97   268.000  1.529
   95    99   305.000  1.454
   97    98   340.000  1.090
   97   101   320.000  1.410
  101   102   553.000  0.945
   99   100   500.000  1.015
   99   103   305.000  1.454
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   92    93   495.000  1.019
   92    94   495.000  1.019
   87    88   553.000  0.945
   57    58   553.000  0.945
   54    55   553.000  0.945
   50    51   553.000  0.945
   43    44   495.000  1.019
   43    45   495.000  1.019
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    80.00000  112.76400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    46    58.35000  112.70000
   39    41    60    50.00000  109.50000
   39    43    44    50.00000  110.30900
   39    43    45    50.00000  110.30900
   41    39    40    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    58.35000  112.70000
   41    46    50    50.00000  109.50000
   41    60    56    60.00000  109.50000
   46    41    42    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    48    54    50.00000  109.50000
   46    50    51    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    56    75.00000  109.43000
   48    52    57    50.00000  109.50000
   48    54    55    55.00000  108.50000
   52    48    49    37.50000  110.70000
   52    56    59    90.00000  108.56700
   52    56    67    90.00000  108.56700
   52    56    60    90.00000  108.56700
   52    57    58    55.00000  108.50000
   56    52    53    45.00000  108.72000
   56    59    61    60.00000  109.50000
   56    67    63    60.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    50.00000  109.50000
   59    61    74    50.00000  109.50000
   61    63    64    37.50000  110.70000
   61    63    65    75.00000  109.43000
   61    63    67    50.00000  109.50000
   61    74    70    58.35000  112.70000
   61    74    75    37.50000  110.70000
   61    74    81    50.00000  109.50000
   63    61    62    37.50000  110.70000
   63    65    66    45.00000  112.01100
   63    65    68    90.00000  108.56700
   63    65    69    90.00000  108.56700
   65    63    64    45.00000  108.72000
   65    68    70    60.00000  109.50000
   65    69    72    60.00000  109.50000
   68    65    66    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    74    50.00000  109.50000
   68    70    76    50.00000  109.50000
   70    74    75    37.50000  110.70000
   70    74    81    50.00000  109.50000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    83    50.00000  109.50000
   74    61    62    37.50000  110.70000
   74    61    63    58.35000  112.70000
   74    70    71    37.50000  110.70000
   74    81    82    55.00000  108.50000
   81    74    75    35.00000  109.50000
   76    70    71    37.50000  110.70000
   76    70    74    58.35000  112.70000
   76    83    84    55.00000  108.50000
   78    76    77    33.00000  107.80000
   83    76    77    35.00000  109.50000
   83    76    78    35.00000  109.50000
   69    65    66    35.00000  109.50000
   69    65    68    92.60000  111.55000
   69    72    73    35.00000  109.50000
   69    72    79    50.00000  109.50000
   69    72    97    50.00000  109.50000
   72    79    80    37.50000  110.70000
   72    79    85    58.35000  112.70000
   72    79    87    50.00000  109.50000
   72    97    95    58.35000  112.70000
   72    97    98    37.50000  110.70000
   72    97   101    50.00000  109.50000
   79    72    73    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    89    58.35000  112.70000
   79    85    92    80.00000  112.76400
   79    87    88    55.00000  108.50000
   85    79    80    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    95    58.35000  112.70000
   85    92    93    50.00000  110.30900
   85    92    94    50.00000  110.30900
   89    85    86    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95    97    58.35000  112.70000
   89    95    99    80.00000  111.29100
   91    89    90    33.00000  107.80000
   95    89    90    37.50000  110.70000
   95    89    91    37.50000  110.70000
   95    97    98    37.50000  110.70000
   95    97   101    50.00000  109.50000
   95    99   100    50.00000  109.23200
   95    99   103    75.00000  112.02600
   97    72    73    37.50000  110.70000
   97    72    79    58.35000  112.70000
   97    95    96    37.50000  110.70000
   97   101   102    55.00000  108.50000
  101    97    98    35.00000  109.50000
   99    95    96    50.00000  110.59500
   99    95    97    80.00000  111.29100
   99   103   104    50.00000  110.59500
   99   103   105    50.00000  110.59500
   99   103   106    50.00000  110.59500
  103    99   100    50.00000  109.23200
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   92    85    86    50.00000  110.79000
   92    85    89    80.00000  112.76400
   94    92    93    40.00000  106.77200
   87    79    80    35.00000  109.50000
   87    79    85    50.00000  109.50000
   67    56    59    92.60000  111.55000
   67    63    64    35.00000  109.50000
   67    63    65    90.00000  109.38000
   60    41    42    35.00000  109.50000
   60    41    46    50.00000  109.50000
   60    56    59    92.60000  111.55000
   60    56    67    92.60000  111.55000
   57    52    53    35.00000  109.50000
   57    52    56    90.00000  111.58700
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   43    39    40    50.00000  110.79000
   43    39    41    80.00000  112.76400
   45    43    44    40.00000  106.77200
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
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   90    89    95    99   0.15000  1.0 3.0
   91    89    95    96   0.15000  1.0 3.0
   91    89    95    97   0.15000  1.0 3.0
   91    89    95    99   0.15000  1.0 3.0
   95    97   101   102  -0.11600  1.0 1.0
   95    97   101   102  -0.09450 -1.0 2.0
   95    97   101   102   0.21250  1.0 3.0
   95    99   103   104   0.28000  1.0 3.0
   95    99   103   105   0.28000  1.0 3.0
   95    99   103   106   0.28000  1.0 3.0
   96    95    97    72   0.15000  1.0 3.0
   96    95    97    98   0.15000  1.0 3.0
   96    95    97   101   0.23400  1.0 3.0
   96    95    99   100   0.20000  1.0 3.0
   96    95    99   103   0.28000  1.0 3.0
   97    72    79    80   0.15000  1.0 3.0
   97    72   -79    85   0.56750  1.0 1.0
   97    72   -79    85  -0.07550 -1.0 2.0
   97    72   -79    85   0.20000  1.0 3.0
   97    72    79    87   0.86500  1.0 1.0
   97    72    79    87  -0.17500 -1.0 2.0
   97    72    79    87   0.20800  1.0 3.0
   97    95    99   100   0.03200  1.0 1.0
   97    95    99   100   0.33800 -1.0 2.0
   97    95    99   103  -0.35450  1.0 1.0
   97    95    99   103   0.44050 -1.0 2.0
   97    95    99   103   0.77100  1.0 3.0
   98    97   101   102   0.19450  1.0 3.0
   99    95    97    72   1.85550  1.0 1.0
   99    95    97    72  -0.84100 -1.0 2.0
   99    95    97    98   0.15000  1.0 3.0
   99    95    97   101   4.49050  1.0 1.0
  100    99   103   104   0.20000  1.0 3.0
  100    99   103   105   0.20000  1.0 3.0
  100    99   103   106   0.20000  1.0 3.0
   92    85    89    90   0.15000  1.0 3.0
   92    85    89    91   0.15000  1.0 3.0
   92    85    89    95   1.85550  1.0 1.0
   92    85    89    95  -0.84100 -1.0 2.0
   87    79    85    86   0.23400  1.0 3.0
   87    79    85    89   0.86500  1.0 1.0
   87    79    85    89  -0.17500 -1.0 2.0
   87    79    85    89   0.20800  1.0 3.0
   87    79    85    92   5.28650  1.0 1.0
   67    56   -59    61  -0.53350  1.0 1.0
   67    56   -59    61  -0.78350 -1.0 2.0
   67    56   -59    61   0.33750  1.0 3.0
   67    56    60    41  -0.53350  1.0 1.0
   67    56    60    41  -0.78350 -1.0 2.0
   67    56    60    41   0.33750  1.0 3.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    68   1.11900  1.0 1.0
   67    63    65    68  -1.16350 -1.0 2.0
   67    63    65    68  -0.34150  1.0 3.0
   67    63    65    69   1.11900  1.0 1.0
   67    63    65    69  -1.16350 -1.0 2.0
   67    63    65    69  -0.34150  1.0 3.0
   60    41    46    47   0.23400  1.0 3.0
   60    41   -46    48   0.62750  1.0 1.0
   60    41   -46    48  -0.30950 -1.0 2.0
   60    41   -46    48   0.27300  1.0 3.0
   60    41    46    50   3.69350  1.0 1.0
   60    41    46    50  -1.82950 -1.0 2.0
   60    56    59    61  -0.53350  1.0 1.0
   60    56    59    61  -0.78350 -1.0 2.0
   60    56    59    61   0.33750  1.0 3.0
   60    56    67    63  -0.53350  1.0 1.0
   60    56    67    63  -0.78350 -1.0 2.0
   60    56    67    63   0.33750  1.0 3.0
   57    52    56    59   3.69350  1.0 1.0
   57    52    56    59  -1.82950 -1.0 2.0
   57    52    56    67   3.69350  1.0 1.0
   57    52    56    67  -1.82950 -1.0 2.0
   57    52    56    60   3.69350  1.0 1.0
   57    52    56    60  -1.82950 -1.0 2.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    56   0.86500  1.0 1.0
   54    48    52    56  -0.17500 -1.0 2.0
   54    48    52    56   0.20800  1.0 3.0
   54    48    52    57   3.75450  1.0 1.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    52   0.86500  1.0 1.0
   50    46    48    52  -0.17500 -1.0 2.0
   50    46    48    52   0.20800  1.0 3.0
   50    46    48    54   3.75450  1.0 1.0
   43    39    41    42   0.15000  1.0 3.0
   43    39    41    46   1.53400  1.0 1.0
   43    39    41    46  -0.09950 -1.0 2.0
   43    39    41    46   0.05700  1.0 3.0
   43    39    41    60   3.18800  1.0 1.0
   43    39    41    60  -1.12350 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
END
