* LIGAND DATABASE FILE (OPLS2005)
*
001     107   112    218    363     654
    1     0 S   NP   _N1_     1    28.54416    99.45700   -21.11488
    2     1 S   H    _HN1     2     1.02776    92.21417   -94.30898
    3     1 S   H    _H1_     3     1.02958    57.80683    16.03987
    4     1 S   H    _H2_     4     1.02835    59.75857   156.21705
    5     1 S   CT   _CA1     5     1.50127   155.51293    83.14263
    6     5 S   HC   _HA1     6     1.09574   105.22128   121.28126
    7     5 S   CO3  _C1_     7     1.53792   112.36900     1.07883
    8     7 S   O2Z  _O11     8     1.26365   114.99845   -43.81323
    9     7 S   O2Z  _O12     9     1.26237   114.93438   135.31218
   10     5 S   CT   _CB1    10     1.53099   107.42536  -120.79855
   11    10 S   HC   HB11    11     1.09826   109.34840   -50.48951
   12    10 S   HC   HB12    12     1.09817   110.41930    66.07203
   13    10 S   CT   _CG1    13     1.53013   112.66142  -171.56213
   14    13 S   HC   HG11    14     1.09595   110.48223   -64.08078
   15    13 S   HC   HG12    15     1.09655   109.93039    55.11792
   16    13 S   C    _CD1    16     1.51834   112.33025   175.49767
   17    16 S   O    _OE1    17     1.22747   123.30746    -0.20748
   18    16 S   N    _N2_    18     1.38556   111.69919   179.74207
   19    18 S   H    _HN2    19     1.01567   119.00066     4.71459
   20    18 S   CT1  _CA2    20     1.45802   122.88349   178.07359
   21    20 S   HC   _HA2    21     1.09710   109.07423    22.62872
   22    20 S   C    _C2_    22     1.52824   106.79308   -94.86072
   23    22 S   O    _O2_    23     1.22995   122.79631   -33.24983
   24    20 S   CT   _CB2    32     1.53336   112.17237   145.96054
   25    24 S   HC   HB21    33     1.09412   109.62647    53.13378
   26    24 S   HC   HB22    34     1.09307   109.25621   171.80866
   27    22 S   N    _N3_    24     1.38503   112.74446   149.79303
   28    27 S   H    _HN3    25     1.01638   120.38393    -3.65232
   29    24 S   S    _SG2    35     1.82753   110.61120   -67.84159
   30    27 S   CT   _CA3    26     1.45405   122.27749   178.09916
   31    30 S   HC   HA31    27     1.09578   107.39495   -61.16539
   32    30 S   HC   HA32    28     1.09554   108.02149    55.07786
   33    29 S   CT   _C22    36     1.87891   102.61140   177.39090
   34    30 S   CO3  _C3_    29     1.52811   114.17143   176.57194
   35    34 S   O2Z  _O31    30     1.26323   115.85397   -20.81122
   36    34 S   O2Z  _O32    31     1.26403   114.63959   159.31626
   37    33 S   CM   _C6_    37     1.54284   106.44681  -178.20071
   38    33 S   CT   _C27   104     1.53969   109.91518   -57.00303
   39    38 S   HC   _H60   105     1.09545   111.86595    73.05521
   40    38 S   HC   _H61   106     1.09593   112.51363   -48.32053
   41    38 S   HC   _H62   107     1.09713   110.72769  -168.42538
   42    37 S   CMA  _C7_    38     1.37250   123.99665  -108.94190
   43    42 S   OM   _O29    39     1.26797   124.56496  -176.95297
   44    37 S   CT   _C26   100     1.52678   114.99640    73.20304
   45    44 S   HC   _H57   101     1.09400   111.32443   -49.51884
   46    44 S   HC   _H58   102     1.09428   113.54102  -168.99500
   47    44 S   HC   _H59   103     1.09485   110.17561    70.81479
   48    42 S   OS   _O33    40     1.40612   117.69435     1.76192
   49    48 S   CT   _C21    41     1.43412   119.08395    21.39051
   50    49 S   HC   _H56    42     1.09629   106.42593    65.44022
   51    33 S   CT   _C14    43     1.53812   110.56120    62.69064
   52    51 S   HC   _H48    44     1.09082   111.40984   -51.02371
   53    51 S   HC   _H49    45     1.09944   108.25910  -167.14092
   54    49 S   CT   _C31    46     1.56882   108.48453  -178.71610
   55    54 S   CT   _C19    47     1.56455   111.48882  -174.85921
   56    55 S   HC   _H54    48     1.09895   106.59694   -59.61427
   57    54 S   CT   _C30    94     1.53420   110.95136    59.73779
   58    57 S   HC   _H69    95     1.09582   111.38924   -46.76157
   59    57 S   HC   _H70    96     1.09420   111.93640    74.34069
   60    57 S   HC   _H71    97     1.09381   111.35800  -163.34733
   61    54 S   OH   _O36    98     1.43671   107.38435   -55.13997
   62    61 S   HO   _H73    99     0.97175   108.71017   -34.97400
   63    55 S   CT   _C11    49     1.55882   112.94650    57.11042
   64    63 S   HC   _H42    50     1.09454   112.76471    33.03052
   65    63 S   HC   _H43    51     1.09552   110.11583   -86.75076
   66    63 S   CT   _C9_    52     1.53406   107.15027   153.19236
   67    66 S   HC   _H38    53     1.09381   110.97125   129.97470
   68    66 S   HC   _H39    54     1.09570   110.56783  -110.75571
   69    66 S   CT   _C17    55     1.52161   103.94248     9.04920
   70    69 S   HC   _H52    56     1.10376   105.76190    77.57918
   71    69 S   CT   _C18    57     1.53707   118.34590  -163.75968
   72    71 S   HC   _H53    58     1.09620   109.67041    62.64625
   73    71 S   CT   _C13    59     1.53143   109.89832   -56.65295
   74    73 S   HC   _H46    60     1.09613   110.12371   -54.70029
   75    73 S   HC   _H47    61     1.09584   110.16762    63.12560
   76    71 S   CT   _C16    74     1.55895   109.44833  -177.62851
   77    76 S   HC   _H51    75     1.10194   105.57490    62.80261
   78    73 S   C3T  _C20    62     1.48133   112.48572  -175.77710
   79    78 S   HC   _H55    63     1.08178   112.70943  -178.75165
   80    76 S   CT   _C10    76     1.55832   110.19170   -51.00971
   81    80 S   HC   _H40    77     1.09473   110.13724   -71.19718
   82    80 S   HC   _H41    78     1.09404   110.52025   172.07915
   83    78 S   C3T  _C25    64     1.51304   121.68617    28.15767
   84    80 S   CT   _C12    79     1.53827   114.26174    50.76859
   85    84 S   HC   _H44    80     1.09756   108.72829    66.90315
   86    84 S   HC   _H45    81     1.09357   108.06616  -177.97339
   87    83 S   CT   _C15    65     1.51232   117.66246   158.86296
   88    87 S   HC   _H50    66     1.09682   109.05901    -5.39514
   89    55 S   CT   _C24    82     1.56636   121.51174   179.67374
   90    78 S   O3T  _O34    93     1.42381   114.79749   -39.52453
   91    87 S   CM   _C5_    67     1.48939   114.63535  -126.30185
   92    91 S   HC   _H37    68     1.08678   117.46156   165.63772
   93    89 S   CT   _C29    83     1.54591   112.07474   -48.61566
   94    93 S   HC   _H66    84     1.09436   112.47468   -46.34687
   95    93 S   HC   _H67    85     1.09303   112.84700  -166.72136
   96    93 S   HC   _H68    86     1.09497   110.84031    74.11969
   97    87 S   OH   _O35    91     1.42779   109.88663   111.31858
   98    97 S   HO   _H72    92     0.97224   107.74471  -174.37935
   99    91 S   CM   _C4_    69     1.33319   123.77745   -13.28661
  100    99 S   HC   _H36    70     1.08449   121.01048   178.96561
  101    99 S   CO4  _C8_    71     1.48207   121.67413    -2.49073
  102   101 S   O    _O30    72     1.23242   116.71213  -179.79158
  103    83 S   CT   _C23    73     1.54045   121.07999    -1.77067
  104   103 S   CT   _C28    87     1.54482   108.75466  -121.43014
  105   104 S   HC   _H63    88     1.09533   111.28289    68.66364
  106   104 S   HC   _H64    89     1.09512   111.65588   -51.24939
  107   104 S   HC   _H65    90     1.09547   112.08273  -169.69878
  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
  18   2   1   1  15   9   3   2   1  10   3   5   2   1   1   9
  15   7   6   2   1  16  25  10   7   3   2   1   3   1  11   6
   5  11   5   4  19   7  19   9  12   6   5  20   8  10   4  11
   6   5  15   8   3   2  11   7   4   5   8   4   3   2   1   1
   3   1   5   3   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    49    51    52    53    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    49    50    51    52    53    54    44    45    46    47    38    39    40    41  
   35    36  
   36  
    0  
   42    43    48    49    51    52    53    44    45    46    47    38    39    40    41  
   39    40    41    42    44    49    51    52    53  
   40    41    51  
   41    51  
   51  
   43    48    49    50    51    54    44    45    46    47  
   48    49    44  
   45    46    47    48    51  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55    57    61  
   50    51    52    53    54    55    56    63    89    57    58    59    60    61    62  
   51    52    53    54    55    57    61  
   52    53    54    55    57    61  
   53    54  
   54  
   55    56    63    64    65    66    69    84    89    93    57    58    59    60    61    62  
   56    63    64    65    66    67    68    69    70    71    80    84    85    86    89    93    94    95    96    57    58    59    60    61    62  
   63    64    65    66    69    84    89    93    57    61  
   58    59    60    61    62    63    89  
   59    60    61  
   60    61  
   61  
   62    63    89  
    0  
   64    65    66    67    68    69    70    71    84    89    93  
   65    66    67    68    69    89  
   66    67    68    69    89  
   67    68    69    70    71    72    73    76    84    89    93  
   68    69    70    71    89  
   69    70    71    89  
   70    71    72    73    74    75    78   103    76    77    80    84    85    86    89    93    94    95    96  
   71    72    73    76    84    89    93  
   72    73    74    75    78    79    83   101   103    76    77    80    81    82    84    89    93   104    90  
   73    74    75    78   103    76    77    80    89  
   74    75    78    79    83    87   103    76    77    80    89    90  
   75    78    79    83    76    90  
   78    79    83    76    90  
   77    80    81    82    84    85    86    89   104   105   106   107    90    78    83    87    99   101   102   103  
   80    81    82    84   104    83   101   103  
   79    83    87    88    91   101   103   104    97    90  
   83    87   103    90  
   81    82    84    85    86    89    93   104    83   101   103  
   82    84    85    86    89   103  
   84    85    86    89   103  
   87    88    91    92    99   101   102   103   104   105   106   107    97    98    90  
   85    86    89    93    94    95    96   103  
   86    89    93  
   89    93  
   88    91    92    99   100   101   103   104    97    98    90  
   91    92    99   103    97    98    90  
   93    94    95    96  
   91    97   101   103   104  
   92    99   100   101   102   103    97    98  
   99   100   101    97  
   94    95    96  
   95    96  
   96  
    0  
   98    99   103  
    0  
  100   101   102   103   104  
  101   102   103  
  102   103   104   105   106   107  
  103   104  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  100   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.510
   33    51   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   54    55   268.000  1.529
   54    57   268.000  1.529
   54    61   320.000  1.410
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    89   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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   268.000  1.529
   69    89   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   275.000  1.510
   78    79   340.000  1.088
   78    83   260.000  1.509
   78    90   335.000  1.432
   83    87   275.000  1.510
   83   103   275.000  1.510
   83    90   335.000  1.432
   87    88   340.000  1.090
   87    91   317.000  1.510
   87    97   320.000  1.410
   91    92   340.000  1.080
   91    99   549.000  1.340
   99   100   340.000  1.080
   99   101   320.000  1.462
  101   102   570.000  1.229
  101   103   317.000  1.522
  103    76   268.000  1.529
  103   104   268.000  1.529
   76    77   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   97    98   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    51    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    51    49    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    48    80.00000  120.01400
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   42    48    49    90.00000  111.18400
   48    42    43    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    54    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    54    55    58.35000  112.70000
   49    54    57    58.35000  112.70000
   49    54    61    50.00000  109.50000
   51    33    37    70.00000  112.02700
   51    49    50    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    55    56    37.50000  110.70000
   54    55    63    58.35000  112.70000
   54    55    89    58.35000  112.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   54    61    62    55.00000  108.50000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    58.35000  112.70000
   55    89    69    58.35000  112.70000
   55    89    84    58.35000  112.70000
   55    89    93    58.35000  112.70000
   63    55    56    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    89    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    71    72    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    76    58.35000  112.70000
   69    89    84    58.35000  112.70000
   69    89    93    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    70.00000  112.37300
   71    76   103    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    80    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    78    79    40.00000  115.04500
   73    78    83    60.00000  120.94000
   73    78    90    80.00000  116.47100
   75    73    74    33.00000  107.80000
   78    73    74    45.00000  109.38400
   78    73    75    45.00000  109.38400
   78    83    87    60.00000  120.94000
   78    83   103    60.00000  120.94000
   78    83    90    15.00000   60.43100
   78    90    83    15.00000   59.14900
   83    78    79    37.50000  117.20000
   83    87    88    45.00000  109.38400
   83    87    91    70.00000  112.02700
   83    87    97    50.00000  109.50000
   83   103   101    63.00000  111.10000
   83   103    76    70.00000  112.37300
   83   103   104    70.00000  112.37300
   87    91    92    35.00000  117.00000
   87    91    99    70.00000  124.00000
   87    97    98    55.00000  108.50000
   91    87    88    35.00000  109.50000
   91    99   100    35.00000  120.00000
   91    99   101    65.00000  118.96000
   99    91    92    35.00000  120.00000
   99   101   102    80.00000  123.72100
   99   101   103    65.00000  118.62400
  101    99   100    40.00000  117.72500
  101   103    76    63.00000  111.10000
  101   103   104    63.00000  111.10000
  103    83    87    58.35000  112.70000
  103   101   102    80.00000  120.40000
  103    76    77    37.50000  110.70000
  103    76    80    58.35000  112.70000
  103   104   105    37.50000  110.70000
  103   104   106    37.50000  110.70000
  103   104   107    37.50000  110.70000
   76    71    72    37.50000  110.70000
   76    71    73    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    84    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    89    58.35000  112.70000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    89    93    58.35000  112.70000
   86    84    85    33.00000  107.80000
   89    55    56    37.50000  110.70000
   89    55    63    58.35000  112.70000
   89    69    70    37.50000  110.70000
   89    69    71    58.35000  112.70000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
  104   103    76    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   97    87    88    35.00000  109.50000
   97    87    91    90.00000  110.39200
   90    78    79    50.00000  114.27700
   90    78    83    15.00000   60.43100
   90    83    87    80.00000  116.47100
   90    83   103    80.00000  116.47100
   57    54    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    54    55    50.00000  109.50000
   61    54    57    50.00000  109.50000
   44    37    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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
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   91    87    97    98  -0.03150  1.0 3.0
   91    99   101   102   1.00000 -1.0 2.0
   91    99   101   103  -0.33500  1.0 1.0
   91    99   101   103   1.06600 -1.0 2.0
   91    99   101   103  -0.14000  1.0 3.0
   92    91    99   100   7.00000 -1.0 2.0
   92    91    99   101   7.00000 -1.0 2.0
   99   101  -103    83   0.65300  1.0 1.0
   99   101  -103    83  -0.03850 -1.0 2.0
   99   101  -103    83   0.33900  1.0 3.0
   99   101   103    76   0.65300  1.0 1.0
   99   101   103    76  -0.03850 -1.0 2.0
   99   101   103    76   0.33900  1.0 3.0
   99   101   103   104   0.65300  1.0 1.0
   99   101   103   104  -0.03850 -1.0 2.0
   99   101   103   104   0.33900  1.0 3.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.04550  1.0 1.0
  100    99   101   103   0.83000 -1.0 2.0
  100    99   101   103  -0.04000  1.0 3.0
  101   103    76    71  -0.95700  1.0 1.0
  101   103    76    71  -0.18200 -1.0 2.0
  101   103    76    71   0.29450  1.0 3.0
  101   103    76    77  -0.11250  1.0 3.0
  101   103    76    80  -0.95700  1.0 1.0
  101   103    76    80  -0.18200 -1.0 2.0
  101   103    76    80   0.29450  1.0 3.0
  101   103   104   105  -0.11250  1.0 3.0
  101   103   104   106  -0.11250  1.0 3.0
  101   103   104   107  -0.11250  1.0 3.0
  102   101   103    83   0.30150 -1.0 2.0
  102   101   103    76   0.30150 -1.0 2.0
  102   101   103   104   0.30150 -1.0 2.0
  103    83    87    88   0.15000  1.0 3.0
  103    83   -87    91   0.34400  1.0 1.0
  103    83   -87    91   0.09450 -1.0 2.0
  103    83   -87    91   0.11100  1.0 3.0
  103    83    87    97   0.86500  1.0 1.0
  103    83    87    97  -0.17500 -1.0 2.0
  103    83    87    97   0.20800  1.0 3.0
  103    83   -90    78   0.06250  1.0 1.0
  103    83   -90    78  -0.01100 -1.0 2.0
  103    83   -90    78   0.28050  1.0 3.0
  103    76    80    81   0.15000  1.0 3.0
  103    76    80    82   0.15000  1.0 3.0
  103    76    80    84   0.56750  1.0 1.0
  103    76    80    84  -0.07550 -1.0 2.0
  103    76    80    84   0.20000  1.0 3.0
   76    71    73    74   0.15000  1.0 3.0
   76    71    73    75   0.15000  1.0 3.0
   76    71   -73    78   0.47050  1.0 1.0
   76    71   -73    78   0.03900 -1.0 2.0
   76    71   -73    78   0.20100  1.0 3.0
   76   103   104   105   0.15000  1.0 3.0
   76   103   104   106   0.15000  1.0 3.0
   76   103   104   107   0.15000  1.0 3.0
   76    80    84    85   0.15000  1.0 3.0
   76    80    84    86   0.15000  1.0 3.0
   76    80    84    89   0.56750  1.0 1.0
   76    80    84    89  -0.07550 -1.0 2.0
   76    80    84    89   0.20000  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    84   0.15000  1.0 3.0
   80    84    89    55   0.56750  1.0 1.0
   80    84    89    55  -0.07550 -1.0 2.0
   80    84    89    55   0.20000  1.0 3.0
   80    84   -89    69   0.56750  1.0 1.0
   80    84   -89    69  -0.07550 -1.0 2.0
   80    84   -89    69   0.20000  1.0 3.0
   80    84    89    93   0.56750  1.0 1.0
   80    84    89    93  -0.07550 -1.0 2.0
   80    84    89    93   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    86   0.15000  1.0 3.0
   81    80    84    89   0.15000  1.0 3.0
   82    80    84    85   0.15000  1.0 3.0
   82    80    84    86   0.15000  1.0 3.0
   82    80    84    89   0.15000  1.0 3.0
   84    89    93    94   0.15000  1.0 3.0
   84    89    93    95   0.15000  1.0 3.0
   84    89    93    96   0.15000  1.0 3.0
   85    84    89    55   0.15000  1.0 3.0
   85    84    89    69   0.15000  1.0 3.0
   85    84    89    93   0.15000  1.0 3.0
   86    84    89    55   0.15000  1.0 3.0
   86    84    89    69   0.15000  1.0 3.0
   86    84    89    93   0.15000  1.0 3.0
   89    55    63    64   0.15000  1.0 3.0
   89    55    63    65   0.15000  1.0 3.0
   89    55   -63    66   0.56750  1.0 1.0
   89    55   -63    66  -0.07550 -1.0 2.0
   89    55   -63    66   0.20000  1.0 3.0
   89    69    71    72   0.15000  1.0 3.0
   89    69    71    73   0.56750  1.0 1.0
   89    69    71    73  -0.07550 -1.0 2.0
   89    69    71    73   0.20000  1.0 3.0
   89    69   -71    76   0.56750  1.0 1.0
   89    69   -71    76  -0.07550 -1.0 2.0
   89    69   -71    76   0.20000  1.0 3.0
  104   103    76    71   0.56750  1.0 1.0
  104   103    76    71  -0.07550 -1.0 2.0
  104   103    76    71   0.20000  1.0 3.0
  104   103    76    77   0.15000  1.0 3.0
  104   103    76    80   0.56750  1.0 1.0
  104   103    76    80  -0.07550 -1.0 2.0
  104   103    76    80   0.20000  1.0 3.0
   97    87    91    92   0.00000  1.0 1.0
   97    87    91    99   0.67800  1.0 1.0
   97    87    91    99   0.47050 -1.0 2.0
   97    87    91    99  -0.62500  1.0 3.0
   90    78   -83    87   0.02550  1.0 1.0
   90    78   -83    87  -0.02600 -1.0 2.0
   90    78   -83    87   1.20400  1.0 3.0
   90    78   -83   103   0.02550  1.0 1.0
   90    78   -83   103  -0.02600 -1.0 2.0
   90    78   -83   103   1.20400  1.0 3.0
   90    83    87    88   0.23400  1.0 3.0
   90    83    87    91   0.61850  1.0 1.0
   90    83    87    91  -0.22750 -1.0 2.0
   90    83    87    91   0.15300  1.0 3.0
   90    83    87    97   3.69350  1.0 1.0
   90    83    87    97  -1.82950 -1.0 2.0
   90    83   103   101  -0.09450  1.0 1.0
   90    83   103   101  -1.12950 -1.0 2.0
   90    83   103   101   0.54000  1.0 3.0
   90    83   103    76   0.02550  1.0 1.0
   90    83   103    76  -0.02600 -1.0 2.0
   90    83   103    76   1.20400  1.0 3.0
   90    83   103   104   0.02550  1.0 1.0
   90    83   103   104  -0.02600 -1.0 2.0
   90    83   103   104   1.20400  1.0 3.0
   57    54    55    56   0.15000  1.0 3.0
   57    54    55    63   0.56750  1.0 1.0
   57    54    55    63  -0.07550 -1.0 2.0
   57    54    55    63   0.20000  1.0 3.0
   57    54    55    89   0.56750  1.0 1.0
   57    54    55    89  -0.07550 -1.0 2.0
   57    54    55    89   0.20000  1.0 3.0
   57    54    61    62  -0.11600  1.0 1.0
   57    54    61    62  -0.09450 -1.0 2.0
   57    54    61    62   0.21250  1.0 3.0
   61    54    55    56   0.23400  1.0 3.0
   61    54    55    63   0.86500  1.0 1.0
   61    54    55    63  -0.17500 -1.0 2.0
   61    54    55    63   0.20800  1.0 3.0
   61    54    55    89   0.86500  1.0 1.0
   61    54    55    89  -0.17500 -1.0 2.0
   61    54    55    89   0.20800  1.0 3.0
   61    54    57    58   0.23400  1.0 3.0
   61    54    57    59   0.23400  1.0 3.0
   61    54    57    60   0.23400  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    48   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    51    49   0.56750  1.0 1.0
   38    33    51    49  -0.07550 -1.0 2.0
   38    33    51    49   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.15000  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    44    37    42   1.10000 -1.0 2.0
   43    48    42    37   1.10000 -1.0 2.0
   87    92    91    99   1.10000 -1.0 2.0
  101   100    99    91   1.10000 -1.0 2.0
   99   103   101   102  10.50000 -1.0 2.0
END
