* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    214    351     651
    1     0 S   NP   _N1_     1    28.71319    97.57445   -23.42456
    2     1 S   H    _HN1     2     1.02949    66.07426    12.79974
    3     1 S   H    _H1_     3     1.02828    44.72517   167.55009
    4     1 S   H    _H2_     4     1.02787   104.24986   -91.26410
    5     1 S   CT   _CA1     5     1.50112   141.93170   105.78809
    6     5 S   HC   _HA1     6     1.09572   105.19239   100.77074
    7     5 S   CO3  _C1_     7     1.53788   112.47751   -19.46715
    8     7 S   O2Z  _O11     8     1.26373   115.00763   -42.28064
    9     7 S   O2Z  _O12     9     1.26241   114.94856   136.85802
   10     5 S   CT   _CB1    10     1.53078   107.42056  -141.23720
   11    10 S   HC   HB11    11     1.09834   109.37483   -49.62057
   12    10 S   HC   HB12    12     1.09812   110.44681    66.99087
   13    10 S   CT   _CG1    13     1.52991   112.60491  -170.59038
   14    13 S   HC   HG11    14     1.09579   110.64307   -65.78377
   15    13 S   HC   HG12    15     1.09671   109.77220    53.44781
   16    13 S   C    _CD1    16     1.51800   112.21297   173.91318
   17    16 S   O    _OE1    17     1.22732   123.27963     7.54338
   18    16 S   N    _N2_    18     1.38657   111.68059  -172.54133
   19    18 S   H    _HN2    19     1.01576   118.92824     1.78114
   20    18 S   CT1  _CA2    20     1.46205   123.40177   177.38349
   21    20 S   HC   _HA2    21     1.09736   109.35836     3.86087
   22    20 S   C    _C2_    22     1.53580   108.62029  -111.63268
   23    22 S   O    _O2_    23     1.23063   122.27638  -147.74530
   24    20 S   CT   _CB2    32     1.53357   111.59046   125.89215
   25    24 S   HC   HB21    33     1.09582   110.06481    56.28570
   26    24 S   HC   HB22    34     1.09443   109.93932   175.39725
   27    22 S   N    _N3_    24     1.38326   113.73579    39.68581
   28    27 S   H    _HN3    25     1.01576   119.60029    -3.22288
   29    24 S   S    _SG2    35     1.82750   111.51053   -64.77960
   30    27 S   CT   _CA3    26     1.45287   123.22906   177.17312
   31    30 S   HC   HA31    27     1.09548   107.50400   -64.80811
   32    30 S   HC   HA32    28     1.09556   107.99657    51.63712
   33    29 S   CT   _C26    36     1.83494    99.92961   169.85016
   34    33 S   HC   _H9_    37     1.09732   107.18517   -51.19601
   35    30 S   CO3  _C3_    29     1.52965   114.06918   173.63983
   36    35 S   O2Z  _O31    30     1.26377   116.06977    -0.65102
   37    35 S   O2Z  _O32    31     1.26427   114.41500   179.41149
   38    33 S   CT   _C25    38     1.53854   111.60495    67.37603
   39    38 S   HC   _H34    39     1.09673   110.34891    46.17239
   40    38 S   HC   _H35    40     1.09678   109.84861   -70.20544
   41    38 S   CT   _C24    41     1.54113   113.80753   168.98036
   42    41 S   HC   _H32    42     1.09777   108.65964    71.61939
   43    41 S   HC   _H33    43     1.09637   108.13676  -173.15447
   44    41 S   CT   _C23    44     1.54703   112.92400   -50.13572
   45    44 S   CT   _C22    45     1.56469   105.96382    56.53181
   46    45 S   HC   _H8_    46     1.10108   108.16412    50.29724
   47    44 S   CT   _C28   103     1.55584   108.52231   -64.52190
   48    47 S   HC   _H38   104     1.09535   111.55813   176.34462
   49    47 S   HC   _H39   105     1.09237   113.59046    55.75556
   50    47 S   HC   _H40   106     1.09622   110.57894   -64.18385
   51    45 S   CT   _C21    47     1.53284   111.79264   165.56822
   52    51 S   HC   _H30    48     1.09651   110.61092   175.74881
   53    51 S   HC   _H31    49     1.09585   110.42957    58.45361
   54    33 S   CT   _C27   100     1.54189   108.37664  -166.96280
   55    54 S   HC   _H36   101     1.09819   109.22722    65.37764
   56    54 S   HC   _H37   102     1.09564   112.02135   -52.14190
   57    51 S   CT   _C20    50     1.54598   110.93357   -63.33688
   58    57 S   HC   _H28    51     1.09548   108.75291   141.66703
   59    57 S   HC   _H29    52     1.09709   108.74270  -102.83159
   60    57 S   CT   _C19    53     1.54061   112.62324    17.86956
   61    60 S   HC   _H7_    54     1.09993   106.32075   -72.89936
   62    60 S   CT   _C14    55     1.53583   117.37499   171.74681
   63    62 S   HC   _H5_    56     1.10516   104.03307   145.34614
   64    44 S   CT   _C18    72     1.57451   114.54315   177.21589
   65    64 S   HC   _H6_    73     1.09646   105.02687   147.08686
   66    62 S   CT   _C13    57     1.51926   119.45200    28.98481
   67    66 S   HC   _H22    58     1.09478   111.91812    72.17772
   68    66 S   HC   _H23    59     1.09478   112.30974   -48.96799
   69    66 S   CT   _C12    60     1.53437   103.78176  -167.36413
   70    69 S   HC   _H20    61     1.09610   109.32490   129.89009
   71    69 S   HC   _H21    62     1.09591   110.50460  -111.99342
   72    69 S   CT   _C11    63     1.55862   107.40477     8.31581
   73    72 S   HC   _H4_    64     1.10098   106.78018   -93.18482
   74    62 S   CT   _C15    65     1.54632   116.43253   -98.66382
   75    72 S   CT   _C5_    78     1.55842   112.14992   149.84498
   76    75 S   HC   _H3_    79     1.09668   108.28157   -59.70067
   77    74 S   CT   _C16    66     1.55286   108.19599   -58.78154
   78    77 S   HC   _H24    67     1.09678   110.64169   -95.40364
   79    77 S   HC   _H25    68     1.09703   109.72821   148.22515
   80    74 S   CT   _C29    74     1.54802   113.64684    64.30195
   81    80 S   HC   _H41    75     1.09458   112.35589    60.45595
   82    80 S   HC   _H42    76     1.09033   113.16918   -60.44723
   83    80 S   HC   _H43    77     1.09491   111.06788  -179.84805
   84    75 S   CT   _C4_    80     1.53931   110.25996    57.10196
   85    84 S   HC   _H10    81     1.09523   111.02901    64.25155
   86    84 S   HC   _H11    82     1.09394   111.81225   -56.43032
   87    84 S   HC   _H12    83     1.09378   111.54447  -175.03426
   88    75 S   CT   _C6_    84     1.54617   112.18512  -179.71607
   89    88 S   HC   _H13    85     1.09164   109.52390    56.28271
   90    88 S   HC   _H14    86     1.09730   109.28500   -59.93945
   91    77 S   CT   _C17    69     1.54787   115.00933    26.74118
   92    91 S   HC   _H26    70     1.09595   108.35406   152.98287
   93    91 S   HC   _H27    71     1.09727   108.79533   -91.45192
   94    88 S   CT   _C7_    87     1.53235   115.55538   177.57432
   95    94 S   HC   _H15    88     1.09716   109.17071  -178.10928
   96    94 S   HC   _H16    89     1.09467   111.34942    64.93463
   97    94 S   C    _C8_    90     1.51576   112.90712   -57.97189
   98    97 S   O    _O33    91     1.22888   121.73953   113.06268
   99    97 S   N    _N4_    92     1.38106   113.20786   -66.91129
  100    99 S   H    _H17    93     1.01614   120.20075    -1.61834
  101    99 S   CT   _C9_    94     1.45298   122.67511   178.54102
  102   101 S   HC   _H18    95     1.09570   107.96525   -51.41312
  103   101 S   HC   _H19    96     1.09551   107.50306    64.98991
  104   101 S   CO3  _C10    97     1.52909   114.21873  -173.39832
  105   104 S   O2Z  _O35    98     1.26347   116.07332    -0.43024
  106   104 S   O2Z  _O34    99     1.26437   114.40996   179.58175
  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  10   5   4   3
  14   8   2   1   1  12   6   5  15   5   4  22  18   9   9   3
   2   1  12   6   5   4   1   1  11   5   4  16   7  21   9   9
   4  11   6   5  11   5   4  20   7  14  14   8   9   5   4   4
   2   1   1   7   3   2   1   8   5   4   2   1   1   7   4   3
   7   3   7   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    54    55    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    51    54    55    56  
   38    39    40    41    45    54    55    56  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    64    54    55    56    47  
   40    41    42    43    44    54  
   41    42    43    44    54  
   42    43    44    45    46    51    60    91    64    65    54    47    48    49    50  
   43    44    45    64    47  
   44    45    64    47  
   45    46    51    52    53    57    60    61    62    77    91    92    93    64    65    54    55    56    47    48    49    50  
   46    51    52    53    57    58    59    60    91    64    65    54    55    56    47    48    49    50  
   51    52    53    57    64    54    55    56    47  
   48    49    50    51    54    60    64    65    91  
   49    50    64  
   50    64  
   64  
   52    53    57    58    59    60    61    62    64    54    55    56  
   53    57    58    59    60    54  
   57    58    59    60    54  
   55    56    57    64  
   56  
    0  
   58    59    60    61    62    63    66    74    91    64    65  
   59    60    61    62    64  
   60    61    62    64  
   61    62    63    66    67    68    69    72    74    77    91    92    93    64    65    80  
   62    63    66    74    91    64    65  
   63    66    67    68    69    70    71    72    73    74    77    78    79    91    64    65    80    81    82    83    75  
   66    67    68    69    72    74    77    64    80  
   65    66    74    77    78    79    91    92    93  
   77    91    92    93  
   67    68    69    70    71    72    73    74    77    80    75  
   68    69    70    71    72    74  
   69    70    71    72    74  
   70    71    72    73    74    77    80    75    76    84    88  
   71    72    73    74    75  
   72    73    74    75  
   73    74    77    78    79    91    80    81    82    83    75    76    84    85    86    87    88    89    90    94  
   74    77    80    75    76    84    88  
   77    78    79    91    92    93    80    81    82    83    75    76    84    88  
   76    84    85    86    87    88    89    90    94    95    96    97    77    80  
   84    85    86    87    88    89    90    94  
   78    79    91    92    93    80    81    82    83  
   79    91    92    93    80  
   91    92    93    80  
   81    82    83    91  
   82    83  
   83  
    0  
   85    86    87    88    89    90    94  
   86    87    88  
   87    88  
   88  
   89    90    94    95    96    97    98    99  
   90    94    95    96    97  
   94    95    96    97  
   92    93  
   93  
    0  
   95    96    97    98    99   100   101  
   96    97    98    99  
   97    98    99  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101   102   103   104   105   106  
  101   102   103   104  
  102   103   104   105   106  
  103   104   105   106  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   99   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  100   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  101   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   268.000  1.529
   44    64   268.000  1.529
   44    47   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    74   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    75   268.000  1.529
   74    77   268.000  1.529
   74    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    64   268.000  1.529
   64    65   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   75    76   340.000  1.090
   75    84   268.000  1.529
   75    88   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   317.000  1.522
   97    98   570.000  1.229
   97    99   490.000  1.335
   99   100   434.000  1.010
   99   101   337.000  1.449
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   317.000  1.522
  104   105   656.000  1.250
  104   106   656.000  1.250
   54    55   340.000  1.090
   54    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    54    45    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    58.35000  112.70000
   41    44    64    58.35000  112.70000
   41    44    47    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    45    46    37.50000  110.70000
   44    45    51    58.35000  112.70000
   44    45    54    58.35000  112.70000
   44    64    60    58.35000  112.70000
   44    64    91    58.35000  112.70000
   44    64    65    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    57    58.35000  112.70000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   51    45    46    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    64    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    74    58.35000  112.70000
   60    64    91    58.35000  112.70000
   60    64    65    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    74    72    58.35000  112.70000
   62    74    77    58.35000  112.70000
   62    74    80    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    58.35000  112.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    77    58.35000  112.70000
   72    74    80    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    84    58.35000  112.70000
   72    75    88    58.35000  112.70000
   74    62    63    37.50000  110.70000
   74    62    66    58.35000  112.70000
   74    72    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    91    58.35000  112.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   77    91    92    37.50000  110.70000
   77    91    93    37.50000  110.70000
   77    91    64    58.35000  112.70000
   79    77    78    33.00000  107.80000
   91    77    78    37.50000  110.70000
   91    77    79    37.50000  110.70000
   91    64    65    37.50000  110.70000
   93    91    92    33.00000  107.80000
   64    44    45    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    91    92    37.50000  110.70000
   64    91    93    37.50000  110.70000
   80    74    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    58.35000  112.70000
   75    84    85    37.50000  110.70000
   75    84    86    37.50000  110.70000
   75    84    87    37.50000  110.70000
   75    88    89    37.50000  110.70000
   75    88    90    37.50000  110.70000
   75    88    94    58.35000  112.70000
   84    75    76    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    75    76    37.50000  110.70000
   88    75    84    58.35000  112.70000
   88    94    95    37.50000  110.70000
   88    94    96    37.50000  110.70000
   88    94    97    63.00000  111.10000
   90    88    89    33.00000  107.80000
   94    88    89    37.50000  110.70000
   94    88    90    37.50000  110.70000
   94    97    98    80.00000  120.40000
   94    97    99    70.00000  116.60000
   96    94    95    33.00000  107.80000
   97    94    95    35.00000  109.50000
   97    94    96    35.00000  109.50000
   97    99   100    35.00000  119.80000
   97    99   101    50.00000  121.90000
   99    97    98    80.00000  122.90000
   99   101   102    35.00000  109.50000
   99   101   103    35.00000  109.50000
   99   101   104    63.00000  110.10000
  101    99   100    38.00000  118.40000
  101   104   105    70.00000  117.00000
  101   104   106    70.00000  117.00000
  103   101   102    33.00000  107.80000
  104   101   102    35.00000  109.50000
  104   101   103    35.00000  109.50000
  106   104   105    80.00000  126.00000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    45    46    37.50000  110.70000
   54    45    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   47    44    45    58.35000  112.70000
   47    44    64    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   75    72    74    80   0.20000  1.0 3.0
   75    88    94    95   0.15000  1.0 3.0
   75    88    94    96   0.15000  1.0 3.0
   75    88    94    97  -0.95700  1.0 1.0
   75    88    94    97  -0.18200 -1.0 2.0
   75    88    94    97   0.29450  1.0 3.0
   76    75    84    85   0.15000  1.0 3.0
   76    75    84    86   0.15000  1.0 3.0
   76    75    84    87   0.15000  1.0 3.0
   76    75    88    89   0.15000  1.0 3.0
   76    75    88    90   0.15000  1.0 3.0
   76    75    88    94   0.15000  1.0 3.0
   84    75    88    89   0.15000  1.0 3.0
   84    75    88    90   0.15000  1.0 3.0
   84    75    88    94   0.56750  1.0 1.0
   84    75    88    94  -0.07550 -1.0 2.0
   84    75    88    94   0.20000  1.0 3.0
   88    75    84    85   0.15000  1.0 3.0
   88    75    84    86   0.15000  1.0 3.0
   88    75    84    87   0.15000  1.0 3.0
   88    94    97    98   0.30150 -1.0 2.0
   88    94    97    99   1.39750  1.0 1.0
   88    94    97    99  -0.07950 -1.0 2.0
   88    94    97    99  -0.18750  1.0 3.0
   89    88    94    95   0.15000  1.0 3.0
   89    88    94    96   0.15000  1.0 3.0
   89    88    94    97  -0.11250  1.0 3.0
   90    88    94    95   0.15000  1.0 3.0
   90    88    94    96   0.15000  1.0 3.0
   90    88    94    97  -0.11250  1.0 3.0
   94    97    99   100   2.45000 -1.0 2.0
   94    97    99   101   1.49850  1.0 1.0
   94    97    99   101   1.53950 -1.0 2.0
   95    94    97    98   0.00000  1.0 1.0
   95    94    97    99   0.00000  1.0 1.0
   96    94    97    98   0.00000  1.0 1.0
   96    94    97    99   0.00000  1.0 1.0
   97    99   101   102   0.00000  1.0 1.0
   97    99   101   103   0.00000  1.0 1.0
   97    99   101   104  -0.29800  1.0 1.0
   97    99   101   104   0.13950 -1.0 2.0
   97    99   101   104  -2.45650  1.0 3.0
   98    97    99   100   2.45000 -1.0 2.0
   98    97    99   101   3.04450 -1.0 2.0
   99   101   104   105   0.00000  1.0 1.0
   99   101   104   106   0.00000  1.0 1.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.00000  1.0 1.0
  100    99   101   104   0.00000  1.0 1.0
  102   101   104   105   0.00000  1.0 1.0
  102   101   104   106   0.00000  1.0 1.0
  103   101   104   105   0.00000  1.0 1.0
  103   101   104   106   0.00000  1.0 1.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41   0.56750  1.0 1.0
   54    33   -38    41  -0.07550 -1.0 2.0
   54    33   -38    41   0.20000  1.0 3.0
   54    45    51    52   0.15000  1.0 3.0
   54    45    51    53   0.15000  1.0 3.0
   54    45    51    57   0.56750  1.0 1.0
   54    45    51    57  -0.07550 -1.0 2.0
   54    45    51    57   0.20000  1.0 3.0
   47    44    45    46   0.15000  1.0 3.0
   47    44    45    51   0.56750  1.0 1.0
   47    44    45    51  -0.07550 -1.0 2.0
   47    44    45    51   0.20000  1.0 3.0
   47    44    45    54   0.56750  1.0 1.0
   47    44    45    54  -0.07550 -1.0 2.0
   47    44    45    54   0.20000  1.0 3.0
   47    44    64    60   0.56750  1.0 1.0
   47    44    64    60  -0.07550 -1.0 2.0
   47    44    64    60   0.20000  1.0 3.0
   47    44    64    91   0.56750  1.0 1.0
   47    44    64    91  -0.07550 -1.0 2.0
   47    44    64    91   0.20000  1.0 3.0
   47    44    64    65   0.15000  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
   94    99    97    98  10.50000 -1.0 2.0
  100    97    99   101   1.00000 -1.0 2.0
  105   101   104   106  10.50000 -1.0 2.0
END
