* LIGAND DATABASE FILE (OPLS2005)
*
001     108   113    201    333     603
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02037    93.25140    34.86372
    3     1 S   H    _H1_     3     1.02106    33.23366   154.79070
    4     1 S   H    _H2_     4     1.02138    87.06026   -73.75499
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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   _C31    36     1.85745    96.99263  -178.13901
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C19    37     1.52598   104.95787   -60.05036
   38    37 S   O    _O36    38     1.22858   122.79367    96.80691
   39    33 S   CT   _C25    95     1.53987   106.67660    59.53396
   40    39 S   HC   _H52    96     1.09967   109.14905    49.69898
   41    39 S   HC   _H53    97     1.09677   111.55816   -68.30214
   42    37 S   CA   _C10    39     1.48374   117.55059   -80.31248
   43    42 S   CA   _C11    40     1.39813   121.02881   -14.45120
   44    43 S   CA   _C15    41     1.40048   119.74306   178.35706
   45    43 S   CO4  _C18    86     1.48233   121.16344    -3.52853
   46    45 S   O    _O35    87     1.22799   120.32241   177.66745
   47    44 S   CA   _C7_    42     1.39489   120.15915     0.32264
   48    44 S   OH   _O44    84     1.36660   121.64528   179.87646
   49    48 S   HO   _H72    85     0.96875   110.03354     0.42796
   50    33 S   CT   _C26    88     1.53616   110.32489   179.38229
   51    50 S   HC   _H54    89     1.10218   106.33801   -46.51790
   52    47 S   CA   _C5_    43     1.39330   120.05356     0.15323
   53    52 S   HA   _H49    44     1.08847   120.44229  -179.91377
   54    47 S   CA   _C6_    48     1.44992   121.13923  -179.97202
   55    50 S   CT   _C30    90     1.54713   114.08650  -162.27515
   56    55 S   HC   _H58    91     1.09755   107.24021   162.36143
   57    42 S   CA   _C13    45     1.40103   119.06338   164.58183
   58    54 S   CA   _C4_    49     1.39262   118.81527    90.16236
   59    58 S   HA   _H48    50     1.08855   120.48930     0.03426
   60    55 S   OS   _O40    92     1.43211   110.97395    48.04279
   61    55 S   CT   _C33   105     1.53007   116.88262   -79.25662
   62    61 S   HC   _H62   106     1.08811   109.69727    60.83016
   63    61 S   HC   _H63   107     1.08784   109.68740   -59.13078
   64    61 S   HC   _H64   108     1.08782   109.71390  -179.11685
   65    57 S   OH   _O42    46     1.36334   122.81839     0.31341
   66    65 S   HO   _H70    47     0.96935   110.12761     1.10269
   67    58 S   CA   _C12    51     1.39552   120.04897  -179.95154
   68    60 S   CT   _C29    93     1.42844   114.36190   -57.23399
   69    68 S   HC   _H57    94     1.09428   109.94865   -60.07677
   70    67 S   CA   _C8_    52     1.40108   120.01169     0.05935
   71    67 S   OH   _O41    82     1.36298   117.19264   179.84174
   72    71 S   HO   _H69    83     0.96883   110.17079  -179.96574
   73    68 S   CT   _C35    98     1.52462   107.39321  -177.12274
   74    73 S   HC   _H67    99     1.09317   109.04416  -161.30789
   75    73 S   HC   _H68   100     1.09363   109.04522   -41.88096
   76    70 S   CA   _C9_    53     1.39394   119.94225    -0.08623
   77    73 S   C    _C23   101     1.50521   111.77532    78.39213
   78    77 S   O    _O38   102     1.22156   126.39891     0.51662
   79    54 S   CA   _C14    54     1.39499   121.08108   -89.81728
   80    76 S   CO4  _C17    57     1.47400   120.60340  -179.68721
   81    80 S   O    _O34    58     1.22549   120.34126   176.30435
   82    77 S   OH   _O46   103     1.35797   109.84303  -179.54243
   83    82 S   HO   _H74   104     0.98053   111.89756  -179.95154
   84    79 S   OH   _O43    55     1.36659   118.32963     0.22900
   85    84 S   HO   _H71    56     0.96843   109.96418  -180.00000
   86    80 S   CM   _C21    59     1.48953   118.09552    -3.41604
   87    86 S   CM   _C20    60     1.34258   120.90992     4.15652
   88    70 S   CO4  _C16    61     1.47234   119.55827  -179.82306
   89    88 S   O    _O33    62     1.22619   120.67633     2.31131
   90    87 S   CT   _C24    63     1.50430   121.19543   177.95034
   91    90 S   HC   _H50    64     1.09625   110.94242   138.36973
   92    90 S   HC   _H51    65     1.09827   107.57589  -104.27579
   93    90 S   CT   _C28    66     1.52971   111.69901    16.76407
   94    93 S   HC   _H56    67     1.09613   110.46580    73.11548
   95    93 S   OS   _O39    68     1.42914   109.19231   -47.70443
   96    93 S   CT   _C34    75     1.52247   111.18755  -166.81311
   97    96 S   HC   _H65    76     1.09381   109.20249   -41.15324
   98    96 S   HC   _H66    77     1.09422   109.10629    78.24058
   99    86 S   CT   _C27    69     1.51518   117.44500  -178.45617
  100    99 S   HC   _H55    70     1.09640   108.78980   -48.99985
  101    96 S   C    _C22    78     1.50522   111.89479  -161.47871
  102   101 S   O    _O37    79     1.22226   126.28623     0.57061
  103    99 S   CT   _C32    71     1.52988   112.98083    70.96174
  104   103 S   HC   _H59    72     1.08830   109.66890    59.62061
  105   103 S   HC   _H60    73     1.08794   109.63555   -60.28805
  106   103 S   HC   _H61    74     1.08753   109.71410   179.64502
  107   101 S   OH   _O45    80     1.35742   109.92034  -179.41483
  108   107 S   HO   _H73    81     0.98169   111.87859  -179.98022
  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
  19   2   1   1  15   5  14   6   5  12  13  12  10   3  13   3
   1   9   4   7   3  11   9   6   2   9   4  10   4   2   1   1
   1   1   9   7   4  12   3   1   6   4   3  10   3   2   6  10
   3   1   1   1   1  14  12   6   1  10   5   4  11   6  10   7
   4   3   5   4   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    50    51    55    68    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    57    45    46    50    51    55    56    60    68    69    39    40    41    73    61  
   35    36  
   36  
    0  
   38    42    43    44    52    57    65    45    50    51    55    68    39    40    41  
   42    43    57    50    39  
   40    41    73    74    75    77    42    45    50    51    55    60    68    69  
   41    73    50    60    68    69  
   73    50    60    68    69  
   43    44    47    52    53    57    65    66    48    45    46    50  
   44    47    52    57    65    54    48    49    45    46    50    51    55  
   47    52    53    57    54    58    79    48    49    45    46    50  
   46    50    51    55    56    60    61    47    48    57  
   50    51    55  
   52    53    57    65    54    58    59    67    76    79    84    48    49  
   49    52    54  
    0  
   51    55    56    60    68    61    62    63    64  
   55    56    60    61  
   53    57    65    66    54    58    79  
   57    65    54  
   58    59    67    70    76    79    84    85    80    71    57  
   56    60    68    69    73    61    62    63    64  
   60    68    61    62    63    64  
   65    66  
   59    67    70    76    79    84    88    71    72  
   67    70    79    71  
   68    69    73    74    75    77    61    62    63    64  
   62    63    64    68  
   63    64  
   64  
    0  
   66  
    0  
   70    76    79    80    87    88    89    71    72  
   69    73    74    75    77    78    82  
   73    74    75    77  
   76    79    84    80    81    86    87    88    89    90    71    72  
   72    76    88  
    0  
   74    75    77    78    82    83  
   75    77    78    82  
   77    78    82  
   79    84    85    80    81    86    87    88    89    99  
   78    82    83  
   82    83  
   84    85    80    81    86    88  
   81    86    87    88    90    95    99   100   103    84  
   86    87    99  
   83  
    0  
   85  
    0  
   87    88    89    90    91    92    93    95    99   100   103   104   105   106  
   88    89    90    91    92    93    94    95    99   100   103    96  
   89    90    91    92    93    99  
   90  
   91    92    93    94    95    99    96    97    98   101  
   92    93    94    95    96  
   93    94    95    96  
   94    95    99   100   103    96    97    98   101   102   107  
   95    99    96    97    98   101  
   99   100   103   104   105   106    96    97    98   101  
   97    98   101   102   107   108    99  
   98   101   102   107  
  101   102   107  
  100   103   104   105   106  
  103   104   105   106  
  102   107   108  
  107   108  
  104   105   106  
  105   106  
  106  
    0  
  108  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
  108   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    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  1.522
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    43   469.000  1.400
   42    57   469.000  1.400
   43    44   469.000  1.400
   43    45   310.000  1.470
   44    47   469.000  1.400
   44    48   450.000  1.364
   47    52   469.000  1.400
   47    54   375.000  1.464
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    65   450.000  1.364
   65    66   553.000  0.945
   54    58   469.000  1.400
   54    79   469.000  1.400
   58    59   367.000  1.080
   58    67   469.000  1.400
   67    70   469.000  1.400
   67    71   450.000  1.364
   70    76   469.000  1.400
   70    88   310.000  1.470
   76    79   469.000  1.400
   76    80   310.000  1.470
   79    84   450.000  1.364
   84    85   553.000  0.945
   80    81   570.000  1.229
   80    86   320.000  1.462
   86    87   549.000  1.340
   86    99   317.000  1.510
   87    88   320.000  1.462
   87    90   317.000  1.510
   88    89   570.000  1.229
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   320.000  1.410
   93    96   268.000  1.529
   95    99   320.000  1.410
   99   100   340.000  1.090
   99   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96   101   317.000  1.522
  101   102   570.000  1.229
  101   107   450.000  1.364
  107   108   553.000  0.945
   71    72   553.000  0.945
   48    49   553.000  0.945
   45    46   570.000  1.229
   45    50   317.000  1.522
   50    51   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    60   320.000  1.410
   55    61   268.000  1.529
   60    68   320.000  1.410
   68    69   340.000  1.090
   68    39   268.000  1.529
   68    73   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   317.000  1.522
   77    78   570.000  1.229
   77    82   450.000  1.364
   82    83   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    50    45    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    55    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    60.00000  119.52600
   37    42    57    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    43    44    63.00000  120.00000
   42    43    45    60.00000  119.52600
   42    57    52    63.00000  120.00000
   42    57    65    70.00000  120.00000
   43    44    47    63.00000  120.00000
   43    44    48    70.00000  120.00000
   43    45    46    75.00000  123.78400
   43    45    50    65.00000  115.47100
   44    47    52    63.00000  120.00000
   44    47    54    60.00000  122.76000
   44    48    49    35.00000  113.00000
   47    52    53    35.00000  120.00000
   47    52    57    63.00000  120.00000
   47    54    58    60.00000  122.76000
   47    54    79    60.00000  122.76000
   52    57    65    70.00000  120.00000
   57    42    43    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    65    66    35.00000  113.00000
   54    47    52    60.00000  122.76000
   54    58    59    35.00000  120.00000
   54    58    67    63.00000  120.00000
   54    79    76    63.00000  120.00000
   54    79    84    70.00000  120.00000
   58    67    70    63.00000  120.00000
   58    67    71    70.00000  120.00000
   67    58    59    35.00000  120.00000
   67    70    76    63.00000  120.00000
   67    70    88    60.00000  119.52600
   67    71    72    35.00000  113.00000
   70    76    79    63.00000  120.00000
   70    76    80    60.00000  119.52600
   70    88    87    65.00000  117.02400
   70    88    89    75.00000  123.78400
   76    79    84    70.00000  120.00000
   76    80    81    75.00000  123.78400
   76    80    86    65.00000  117.02400
   79    54    58    63.00000  120.00000
   79    84    85    35.00000  113.00000
   80    76    79    60.00000  119.52600
   80    86    87    65.00000  118.96000
   80    86    99    65.00000  116.34900
   86    80    81    80.00000  123.72100
   86    87    88    65.00000  118.96000
   86    87    90    70.00000  124.00000
   86    99    95    85.00000  110.90400
   86    99   100    35.00000  109.50000
   86    99   103    70.00000  112.02700
   87    88    89    80.00000  123.72100
   87    90    91    35.00000  109.50000
   87    90    92    35.00000  109.50000
   87    90    93    70.00000  112.02700
   88    70    76    60.00000  119.52600
   90    87    88    65.00000  116.34900
   90    93    94    37.50000  110.70000
   90    93    95    50.00000  109.50000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    95    99    60.00000  109.50000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96   101    63.00000  111.10000
   95    93    94    35.00000  109.50000
   95    99   100    35.00000  109.50000
   95    99   103    50.00000  109.50000
   99    86    87    70.00000  124.00000
   99   103   104    37.50000  110.70000
   99   103   105    37.50000  110.70000
   99   103   106    37.50000  110.70000
  103    99   100    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    50.00000  109.50000
   96   101   102    80.00000  120.40000
   96   101   107    70.00000  108.00000
   98    96    97    33.00000  107.80000
  101    96    97    35.00000  109.50000
  101    96    98    35.00000  109.50000
  101   107   108    35.00000  113.00000
  107   101   102   100.00000  123.32000
   71    67    70    70.00000  120.00000
   48    44    47    70.00000  120.00000
   45    43    44    60.00000  119.52600
   45    50    51    35.00000  109.50000
   45    50    55    63.00000  111.10000
   50    33    37    63.00000  111.10000
   50    45    46    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    60    50.00000  109.50000
   50    55    61    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    60    68    60.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   60    55    56    35.00000  109.50000
   60    68    69    35.00000  109.50000
   60    68    39    50.00000  109.50000
   60    68    73    50.00000  109.50000
   68    39    40    37.50000  110.70000
   68    39    41    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    77    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    33    50    58.35000  112.70000
   39    68    69    37.50000  110.70000
   41    39    40    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    39    58.35000  112.70000
   73    77    78    80.00000  120.40000
   73    77    82    70.00000  108.00000
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    82    83    35.00000  113.00000
   82    77    78   100.00000  123.32000
   61    55    56    37.50000  110.70000
   61    55    60    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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
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   73    68    39    41   0.15000  1.0 3.0
   73    77    82    83   1.50000  1.0 1.0
   73    77    82    83   2.45000 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    82   0.00000  1.0 1.0
   75    73    77    78   0.00000  1.0 1.0
   75    73    77    82   0.00000  1.0 1.0
   78    77    82    83   0.92200  1.0 1.0
   78    77    82    83   3.74100 -1.0 2.0
   61    55    60    68   0.06250  1.0 1.0
   61    55    60    68  -0.01100 -1.0 2.0
   61    55    60    68   0.28050  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    42    37    38  10.50000 -1.0 2.0
   43    57    42    37   4.00000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   47    48    44    43   4.00000 -1.0 2.0
   52    54    47    44   4.00000 -1.0 2.0
   57    53    52    47   1.10000 -1.0 2.0
   52    65    57    42   4.00000 -1.0 2.0
   58    79    54    47   4.00000 -1.0 2.0
   67    59    58    54   1.10000 -1.0 2.0
   70    71    67    58   4.00000 -1.0 2.0
   76    88    70    67   4.00000 -1.0 2.0
   79    80    76    70   4.00000 -1.0 2.0
   76    84    79    54   4.00000 -1.0 2.0
   76    86    80    81  10.50000 -1.0 2.0
   80    99    86    87   1.10000 -1.0 2.0
   88    90    87    86   1.10000 -1.0 2.0
   70    87    88    89  10.50000 -1.0 2.0
   96   107   101   102  10.50000 -1.0 2.0
   43    50    45    46  10.50000 -1.0 2.0
   73    82    77    78  10.50000 -1.0 2.0
END
