* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    196    318     588
    1     0 S   NP   _N1_     1    29.38187    96.53024   -21.75446
    2     1 S   H    _HN1     2     1.02779   100.05977  -101.33695
    3     1 S   H    _H1_     3     1.02948    72.43074     4.91171
    4     1 S   H    _H2_     4     1.02829    40.38738   152.82109
    5     1 S   CT   _CA1     5     1.50123   143.73863   105.66635
    6     5 S   HC   _HA1     6     1.09573   105.18005    89.83993
    7     5 S   CO3  _C1_     7     1.53756   112.38554   -30.38421
    8     7 S   O2Z  _O11     8     1.26387   114.97859   -42.16575
    9     7 S   O2Z  _O12     9     1.26214   114.99087   136.89224
   10     5 S   CT   _CB1    10     1.53089   107.41746  -152.11935
   11    10 S   HC   HB11    11     1.09830   109.36895   -48.42487
   12    10 S   HC   HB12    12     1.09808   110.50713    68.24144
   13    10 S   CT   _CG1    13     1.52971   112.56714  -169.32877
   14    13 S   HC   HG11    14     1.09522   110.69049   -65.54626
   15    13 S   HC   HG12    15     1.09580   109.59861    53.54663
   16    13 S   C    _CD1    16     1.51837   112.27275   173.78536
   17    16 S   O    _OE1    17     1.22730   123.25963     4.32952
   18    16 S   N    _N2_    18     1.38629   111.72456  -175.55582
   19    18 S   H    _HN2    19     1.01578   118.90661     1.20820
   20    18 S   CT1  _CA2    20     1.46295   123.48703   178.25325
   21    20 S   HC   _HA2    21     1.09684   109.34507     2.25741
   22    20 S   C    _C2_    22     1.53616   108.92106  -113.87694
   23    22 S   O    _O2_    23     1.23081   122.04407  -154.47164
   24    20 S   CT   _CB2    32     1.53436   111.55767   124.40080
   25    24 S   HC   HB21    33     1.09452   109.13499    63.03230
   26    24 S   HC   HB22    34     1.09524   110.60952  -179.26645
   27    22 S   N    _N3_    24     1.38223   114.05152    32.11072
   28    27 S   H    _HN3    25     1.01582   119.42644    -1.77839
   29    24 S   S    _SG2    35     1.82825   111.74654   -59.36197
   30    27 S   CT   _CA3    26     1.45273   123.39454   178.60296
   31    30 S   HC   HA31    27     1.09530   107.39677   -70.31918
   32    30 S   HC   HA32    28     1.09560   108.17249    46.24964
   33    29 S   CT   _C8_    36     1.83759    99.76104   147.89811
   34    33 S   HC   _H5_    37     1.09598   106.62007    64.57861
   35    30 S   CO3  _C3_    29     1.52977   113.98226   168.35852
   36    35 S   O2Z  _O31    30     1.26383   116.05100     2.22519
   37    35 S   O2Z  _O32    31     1.26402   114.42456  -177.54920
   38    33 S   CM   _C9_    38     1.53058   112.69360  -176.59619
   39    33 S   OS   _O33    53     1.43305   113.21147   -50.44254
   40    38 S   CMA  _C10    39     1.37198   122.94441   -69.51742
   41    40 S   OM   _O36    40     1.26790   124.54274     1.14671
   42    40 S   OS   _O34    41     1.40845   117.47278  -179.42155
   43    42 S   CT   _C11    42     1.42342   118.77046    21.49485
   44    43 S   HC   _H14    43     1.09499   107.45799  -172.40555
   45    43 S   HC   _H15    44     1.09643   109.46793    71.50592
   46    43 S   CT   _C12    45     1.51232   110.00761   -52.83542
   47    46 S   HC   _H16    46     1.09589   109.68921  -176.27254
   48    46 S   HC   _H17    47     1.09586   108.45597   -58.12121
   49    38 S   CT   _C13    48     1.52356   113.49217   113.10937
   50    49 S   CT   _C6_    49     1.55207   112.32828   -39.21979
   51    50 S   HC   _H3_    50     1.10081   107.18326   167.77877
   52    49 S   OH   _O35   107     1.44551   106.22280    77.13191
   53    52 S   HO   _H18   108     0.97264   108.05700  -178.54035
   54    50 S   CO   _C7_    51     1.55308   110.87725    50.78212
   55    54 S   HC   _H4_    52     1.09487   110.90938  -130.72552
   56    50 S   CM   _C5_   102     1.51580   113.74807   -74.22467
   57    56 S   HC   _H13   103     1.08646   118.19466    54.93237
   58    54 S   OS   _O37    54     1.43384   107.29944   112.59424
   59    56 S   CM   _C4_   104     1.33841   123.85506  -124.59831
   60    59 S   HC   _H11   105     1.08487   120.44085   179.80218
   61    59 S   HC   _H12   106     1.08443   121.81360    -0.64011
   62    58 S   CO   _C14    55     1.43317   113.57192   171.81029
   63    62 S   HC   _H6_    56     1.09767   109.51395    42.08431
   64    62 S   CT   _C15    57     1.53469   106.59638   160.47281
   65    64 S   HC   _H7_    58     1.09816   110.84783    50.32424
   66    64 S   CT   _C16    59     1.53032   111.37244   172.42811
   67    66 S   HC   _H8_    60     1.09686   110.30264    74.87354
   68    64 S   OS   _O42    75     1.44989   108.60330   -70.14779
   69    66 S   CT   _C17    61     1.52982   111.53875   -48.05437
   70    69 S   HC   _H9_    62     1.09648   108.81214   -71.08802
   71    66 S   OH   _O41    73     1.43149   109.32826  -169.41128
   72    71 S   HO   _H23    74     0.97299   107.96173    63.99874
   73    68 S   CO4  _C20    76     1.35380   117.96743    93.40910
   74    73 S   O    _O43    77     1.21745   129.07430     0.05935
   75    69 S   CT   _C18    63     1.53334   110.39006    50.52142
   76    75 S   HC   _H10    64     1.09847   110.30732    62.81767
   77    69 S   OH   _O40    71     1.42632   109.53616   172.18872
   78    77 S   HO   _H22    72     0.97242   108.25165   -59.86245
   79    73 S   CA   _C21    78     1.47092   107.05600   178.34827
   80    62 S   OS   _O38    65     1.42891   110.42653   -78.65432
   81    75 S   CT   _C19    66     1.53104   112.51601  -177.79087
   82    81 S   HC   _H19    67     1.09444   110.93178   -64.01719
   83    81 S   HC   _H20    68     1.09259   110.21172   175.35219
   84    79 S   CA   _C22    79     1.41294   119.17998  -107.28583
   85    81 S   OH   _O39    69     1.42230   110.74184    56.44924
   86    85 S   HO   _H21    70     0.97271   106.84759   179.15512
   87    84 S   CA   _C23    80     1.40659   118.01115  -178.65419
   88    87 S   HA   _H24    81     1.08829   119.80081  -179.72024
   89    84 S   CA   _C27    90     1.47208   122.64285     2.85526
   90    87 S   CA   _C24    82     1.39561   120.55241    -0.58884
   91    89 S   CA   _C28    91     1.40463   120.92813  -112.19719
   92    91 S   HA   _H28    92     1.08803   120.37520     0.03956
   93    90 S   CA   _C25    83     1.39034   120.97151     0.12511
   94    93 S   HA   _H25    84     1.08674   120.24487  -179.97202
   95    90 S   OH   _O45    88     1.36674   120.95315  -179.66370
   96    95 S   HO   _H27    89     0.97238   108.70569    -0.15451
   97    91 S   CA   _C29    93     1.39761   120.77324   179.50268
   98    97 S   HA   _H29    94     1.08639   119.87713  -179.76097
   99    79 S   CA   _C26    85     1.40209   119.93629    73.55927
  100    97 S   CA   _C30    95     1.39312   120.17157    -0.03956
  101   100 S   HA   _H30    96     1.08606   119.97918  -179.68847
  102    99 S   OH   _O44    86     1.36713   123.55202    -0.77859
  103   102 S   HO   _H26    87     0.97268   110.56574    10.85758
  104   100 S   CA   _C31    97     1.39051   119.44420     0.19881
  105    89 S   CA   _C32    98     1.40505   120.60520    67.81065
  106   105 S   HA   _H31    99     1.08785   119.89433     0.72145
  107   104 S   OH   _O46   100     1.36655   118.31686  -179.62413
  108   107 S   HO   _H32   101     0.97315   108.54787   177.44979
  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
  13   5   2   1   1  15   9   9   3   7   8   5   4   9   4   3
  10  12   7   3   1   9   3   5   3   8   2   1   1  13   6  14
   7  13   7   8  12   7   3   1   8   3   9   6   3   1  12   4
   4   3   2  14   1   1  10   4  11   6   8   4   6   3   2   1
   6   3   2   6   3   1   1   4   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    49    54    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    46    49    50    54    55    39    58    52  
   38    40    49    54    39  
   36    37  
   37  
    0  
   40    41    42    43    46    47    48    49    50    51    54    39    56    52    53  
   58    62    56    40    49    50    51    54    55  
   41    42    43    44    45    46    49    50    52  
   42    43    49  
   43    44    45    46    47    48    49  
   44    45    46    47    48    49    50    52  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    54    56    52    53  
   48    49    50    52  
   49    50    52  
   50    51    54    55    58    56    57    59    52    53  
   51    54    55    58    62    56    57    59    60    61    52    53  
   54    55    58    56    57    59    52  
   53    54    56  
    0  
   55    58    62    63    64    80    56    57    59  
   58    62    56  
   57    59    60    61    58  
   59    60    61  
   62    63    64    65    66    75    80    68  
   60    61  
   61  
    0  
   63    64    65    66    67    69    75    76    80    81    71    68    73  
   64    65    66    75    80    68  
   65    66    67    69    70    75    80    77    71    72    68    73    74    79  
   66    67    69    80    71    68    73  
   67    69    70    75    76    80    81    77    78    71    72    68    73  
   69    70    75    77    71    72    68  
   73    74    79    84    99    69    71    80  
   70    75    76    80    81    82    83    85    77    78    71    72  
   75    76    80    81    77    78    71  
   72    75    77  
    0  
   74    79    84    87    93    99   102    89  
   79    84    99  
   76    80    81    82    83    85    86    77    78  
   80    81    82    83    85    77  
   78    80    81  
    0  
   84    87    88    90    93    94    99   102   103    89    91   105  
   81    82    83    85  
   82    83    85    86  
   83    85    86  
   85    86  
   87    88    90    93    99   102    95    89    91    92    97   104   105   106  
   86  
    0  
   88    90    93    94    99    95    96    89    91   105  
   90    93    95    89  
   91    92    97    98   100   104   105   106   107    90    99  
   93    94    99   102    95    96  
   92    97    98   100   101   104   105   106  
   97    98   100   105  
   94    99   102   103    95    96  
   99   102    95  
   96    99  
    0  
   98   100   101   104   105   107  
  100   101   104  
  102   103  
  101   104   105   106   107   108  
  104   105   107  
  103  
    0  
  105   106   107   108  
  106   107   108  
  107  
  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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   90   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  100   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  102   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  105   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  106   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  107   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.435000   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  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    49   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    52   320.000  1.410
   50    51   340.000  1.090
   50    54   250.000  1.527
   50    56   317.000  1.510
   54    55   340.000  1.090
   54    39   320.000  1.380
   54    58   320.000  1.380
   58    62   320.000  1.380
   62    63   340.000  1.090
   62    64   250.000  1.527
   62    80   320.000  1.380
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   320.000  1.410
   66    67   340.000  1.090
   66    69   268.000  1.529
   66    71   320.000  1.410
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    77   320.000  1.410
   75    76   340.000  1.090
   75    80   320.000  1.410
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    85   320.000  1.410
   85    86   553.000  0.945
   77    78   553.000  0.945
   71    72   553.000  0.945
   68    73   214.000  1.327
   73    74   570.000  1.229
   73    79   310.000  1.470
   79    84   469.000  1.400
   79    99   469.000  1.400
   84    87   469.000  1.400
   84    89   375.000  1.464
   87    88   367.000  1.080
   87    90   469.000  1.400
   90    93   469.000  1.400
   90    95   450.000  1.364
   93    94   367.000  1.080
   93    99   469.000  1.400
   99   102   450.000  1.364
  102   103   553.000  0.945
   95    96   553.000  0.945
   89    91   469.000  1.400
   89   105   469.000  1.400
   91    92   367.000  1.080
   91    97   469.000  1.400
   97    98   367.000  1.080
   97   100   469.000  1.400
  100   101   367.000  1.080
  100   104   469.000  1.400
  104   105   469.000  1.400
  104   107   450.000  1.364
  105   106   367.000  1.080
  107   108   553.000  0.945
   56    57   340.000  1.080
   56    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   52    53   553.000  0.945
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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    49    65.00000  117.92700
   33    39    54    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   38    49    46    70.00000  112.02700
   38    49    50    70.00000  112.02700
   38    49    52    90.00000  110.39200
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    58.35000  112.70000
   46    49    52    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    38    40    70.00000  124.00000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    51    37.50000  110.70000
   49    50    54    75.00000  109.43000
   49    50    56    70.00000  112.02700
   49    52    53    55.00000  108.50000
   50    54    55    45.00000  112.01100
   50    54    39    90.00000  108.56700
   50    54    58    90.00000  108.56700
   50    56    57    35.00000  117.00000
   50    56    59    70.00000  124.00000
   54    50    51    45.00000  108.72000
   54    58    62   100.00000  109.58800
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    54    55    35.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    39    92.60000  111.55000
   58    62    63    35.00000  109.50000
   58    62    64    90.00000  108.56700
   58    62    80    92.60000  111.55000
   62    64    65    45.00000  108.72000
   62    64    66    75.00000  109.43000
   62    64    68    90.00000  109.38000
   62    80    75    60.00000  109.50000
   64    62    63    45.00000  112.01100
   64    66    67    37.50000  110.70000
   64    66    69    58.35000  112.70000
   64    66    71    50.00000  109.50000
   64    68    73    83.00000  116.90000
   66    64    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    75    58.35000  112.70000
   66    69    77    50.00000  109.50000
   66    71    72    55.00000  108.50000
   69    66    67    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    80    50.00000  109.50000
   69    75    81    58.35000  112.70000
   69    77    78    55.00000  108.50000
   75    69    70    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    85    50.00000  109.50000
   80    62    63    35.00000  109.50000
   80    62    64    90.00000  108.56700
   80    75    76    35.00000  109.50000
   81    75    76    37.50000  110.70000
   81    75    80    50.00000  109.50000
   81    85    86    55.00000  108.50000
   83    81    82    33.00000  107.80000
   85    81    82    35.00000  109.50000
   85    81    83    35.00000  109.50000
   77    69    70    35.00000  109.50000
   77    69    75    50.00000  109.50000
   71    66    67    35.00000  109.50000
   71    66    69    50.00000  109.50000
   68    64    65    35.00000  109.50000
   68    64    66    50.00000  109.50000
   68    73    74    83.00000  123.40000
   68    73    79    81.00000  111.40000
   73    79    84    60.00000  119.52600
   73    79    99    60.00000  119.52600
   79    73    74    75.00000  123.78400
   79    84    87    63.00000  120.00000
   79    84    89    60.00000  122.76000
   79    99    93    63.00000  120.00000
   79    99   102    70.00000  120.00000
   84    87    88    35.00000  120.00000
   84    87    90    63.00000  120.00000
   84    89    91    60.00000  122.76000
   84    89   105    60.00000  122.76000
   87    90    93    63.00000  120.00000
   87    90    95    70.00000  120.00000
   90    87    88    35.00000  120.00000
   90    93    94    35.00000  120.00000
   90    93    99    63.00000  120.00000
   90    95    96    35.00000  113.00000
   93    99   102    70.00000  120.00000
   99    79    84    63.00000  120.00000
   99    93    94    35.00000  120.00000
   99   102   103    35.00000  113.00000
   95    90    93    70.00000  120.00000
   89    84    87    60.00000  122.76000
   89    91    92    35.00000  120.00000
   89    91    97    63.00000  120.00000
   89   105   104    63.00000  120.00000
   89   105   106    35.00000  120.00000
   91    97    98    35.00000  120.00000
   91    97   100    63.00000  120.00000
   97    91    92    35.00000  120.00000
   97   100   101    35.00000  120.00000
   97   100   104    63.00000  120.00000
  100    97    98    35.00000  120.00000
  100   104   105    63.00000  120.00000
  100   104   107    70.00000  120.00000
  104   100   101    35.00000  120.00000
  104   105   106    35.00000  120.00000
  104   107   108    35.00000  113.00000
  105    89    91    63.00000  120.00000
  107   104   105    70.00000  120.00000
   56    50    51    35.00000  109.50000
   56    50    54    70.00000  112.02700
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   59    56    57    35.00000  120.00000
   61    59    60    35.00000  117.00000
   52    49    50    50.00000  109.50000
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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   56    50    54    39  -0.22750 -1.0 2.0
   56    50    54    39   0.15300  1.0 3.0
   56    50    54    58   0.61850  1.0 1.0
   56    50    54    58  -0.22750 -1.0 2.0
   56    50    54    58   0.15300  1.0 3.0
   57    56    59    60   7.00000 -1.0 2.0
   57    56    59    61   7.00000 -1.0 2.0
   52    49    50    51   0.23400  1.0 3.0
   52    49    50    54   0.86500  1.0 1.0
   52    49    50    54  -0.17500 -1.0 2.0
   52    49    50    54   0.20800  1.0 3.0
   52    49    50    56   1.05650  1.0 1.0
   52    49    50    56   0.15600 -1.0 2.0
   52    49    50    56   0.53150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    49    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   68    79    73    74  10.50000 -1.0 2.0
   84    99    79    73   4.00000 -1.0 2.0
   87    89    84    79   4.00000 -1.0 2.0
   90    88    87    84   1.10000 -1.0 2.0
   93    95    90    87   4.00000 -1.0 2.0
   99    94    93    90   1.10000 -1.0 2.0
   93   102    99    79   4.00000 -1.0 2.0
   91   105    89    84   4.00000 -1.0 2.0
   97    92    91    89   1.10000 -1.0 2.0
  100    98    97    91   1.10000 -1.0 2.0
  104   101   100    97   1.10000 -1.0 2.0
  105   107   104   100   4.00000 -1.0 2.0
  104   106   105    89   1.10000 -1.0 2.0
   50    57    56    59  15.00000 -1.0 2.0
   60    61    59    56  15.00000 -1.0 2.0
END
