* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    209    347     634
    1     0 S   NP   _N1_     1    28.94656    94.23017   -24.78789
    2     1 S   H    _HN1     2     1.02797   113.77270  -104.40538
    3     1 S   H    _H1_     3     1.02948    85.38096     3.63841
    4     1 S   H    _H2_     4     1.02828    21.88422   176.94476
    5     1 S   CT   _CA1     5     1.50131   122.73518   115.01150
    6     5 S   HC   _HA1     6     1.09575   105.16260    79.93292
    7     5 S   CO3  _C1_     7     1.53762   112.39435   -40.28755
    8     7 S   O2Z  _O11     8     1.26379   115.00759   -44.08391
    9     7 S   O2Z  _O12     9     1.26226   114.93193   134.84397
   10     5 S   CT   _CB1    10     1.53046   107.39255  -162.11947
   11    10 S   HC   HB11    11     1.09846   109.33569   -49.26734
   12    10 S   HC   HB12    12     1.09811   110.48346    67.31263
   13    10 S   CT   _CG1    13     1.53040   112.65556  -170.17755
   14    13 S   HC   HG11    14     1.09567   110.77273   -67.33017
   15    13 S   HC   HG12    15     1.09666   109.68660    51.94201
   16    13 S   C    _CD1    16     1.51816   111.83719   172.45452
   17    16 S   O    _OE1    17     1.22774   123.11496    14.12082
   18    16 S   N    _N2_    18     1.38639   111.94973  -165.94900
   19    18 S   H    _HN2    19     1.01588   119.04850     0.82234
   20    18 S   CT1  _CA2    20     1.46236   123.29585   176.46825
   21    20 S   HC   _HA2    21     1.09744   109.24955     8.13813
   22    20 S   C    _C2_    22     1.53703   108.97024  -107.38083
   23    22 S   O    _O2_    23     1.23090   122.19461  -149.44037
   24    20 S   CT   _CB2    32     1.53489   111.68689   130.08932
   25    24 S   HC   HB21    33     1.09407   109.55262    57.99958
   26    24 S   HC   HB22    34     1.09404   109.45552   176.80690
   27    22 S   N    _N3_    24     1.38297   113.91888    38.07187
   28    27 S   H    _HN3    25     1.01536   119.61746    -3.28503
   29    24 S   S    _SG2    35     1.82917   111.09536   -63.77415
   30    27 S   CT   _CA3    26     1.45282   123.31475   177.21407
   31    30 S   HC   HA31    27     1.09546   107.50820   -64.96292
   32    30 S   HC   HA32    28     1.09553   108.00802    51.50558
   33    29 S   CT   _C25    36     1.88477   102.39666   171.24388
   34    30 S   CO3  _C3_    29     1.52985   114.01783   173.50025
   35    34 S   O2Z  _O31    30     1.26388   116.06971    -0.64437
   36    34 S   O2Z  _O32    31     1.26422   114.42361   179.42325
   37    33 S   CM   _C4_    37     1.51464   106.14370   -67.01647
   38    37 S   HC   _H31    38     1.09007   116.31721    82.42733
   39    33 S   CT   _C17    96     1.54470   111.25386    54.10336
   40    39 S   HC   _H52    97     1.09579   111.87697   -58.80231
   41    39 S   HC   _H53    98     1.09977   108.95587  -174.26161
   42    37 S   CMA  _C5_    39     1.35003   125.98838   -98.12203
   43    42 S   OM   _O27    40     1.26213   129.23879  -179.43942
   44    42 S   CT   _C7_    41     1.52645   119.56591     0.39811
   45    44 S   HC   _H32    42     1.09980   110.71282   129.91599
   46    44 S   HC   _H33    43     1.10084   108.23409  -113.76788
   47    44 S   CT   _C8_    44     1.53736   116.31010     7.09163
   48    47 S   HC   _H34    45     1.09568   109.98972    86.48047
   49    47 S   HC   _H35    46     1.09530   107.38672  -158.50561
   50    33 S   CT   _C19    47     1.56575   110.78346   173.90651
   51    50 S   HC   _H56    48     1.10292   107.36730  -179.18004
   52    50 S   CT   _C21    49     1.55449   111.92630   -63.67477
   53    52 S   HC   _H58    50     1.09777   108.87856    58.95811
   54    52 S   CT   _C13    51     1.54751   113.53299   176.27964
   55    54 S   HC   _H44    52     1.09604   109.78532    51.10318
   56    54 S   HC   _H45    53     1.09609   109.73248   -65.54894
   57    54 S   CT   _C18    54     1.54032   113.37618   174.45985
   58    57 S   HC   _H54    55     1.09778   108.41552    69.07634
   59    57 S   HC   _H55    56     1.09631   109.23522  -175.36773
   60    57 S   CT   _C26    57     1.53529   111.95583   -52.27870
   61    60 S   CT   _C22    58     1.54356   108.02071    55.55715
   62    61 S   HC   _H59    59     1.10311   108.41603    55.92128
   63    60 S   CT   _C27    99     1.55022   109.18063   -69.80150
   64    63 S   HC   _H62   100     1.09448   112.49936  -178.02662
   65    63 S   HC   _H63   101     1.09305   112.78388    60.98058
   66    63 S   HC   _H64   102     1.09631   110.57700   -58.41588
   67    61 S   CT   _C11    60     1.52475   103.57537   168.17975
   68    67 S   HC   _H40    61     1.09477   112.02462  -155.28753
   69    67 S   HC   _H41    62     1.09566   111.54712    83.99732
   70    52 S   CT   _C20    91     1.55964   109.02328   -58.79738
   71    70 S   HC   _H57    92     1.09734   108.58206   -61.23985
   72    67 S   CT   _C16    63     1.53812   103.93629   -34.96990
   73    72 S   HC   _H50    64     1.09595   110.73992   130.45530
   74    72 S   HC   _H51    65     1.09593   110.78543  -111.27011
   75    70 S   CT   _C12    93     1.53493   111.56590    55.83697
   76    75 S   HC   _H42    94     1.09662   109.72056  -174.43824
   77    75 S   HC   _H43    95     1.09601   110.31836    68.75143
   78    60 S   CT   _C24    66     1.54607   115.24746   165.46209
   79    78 S   HC   _H61    67     1.09876   111.21872   -40.73948
   80    78 S   OS   _O29    68     1.43269   113.63949    84.63212
   81    80 S   CO4  _C6_    69     1.36484   117.30491   -91.19706
   82    81 S   O    _O28    70     1.22278   126.07602    -1.45347
   83    81 S   CT   _C28    71     1.51175   108.74991   178.86771
   84    83 S   HC   _H65    72     1.09591   108.11648   -54.82693
   85    83 S   HC   _H66    73     1.09512   107.83906    63.04319
   86    83 S   CT   _C29    74     1.52878   111.90717  -175.51511
   87    86 S   HC   _H67    75     1.09772   109.45927   -60.77688
   88    86 S   HC   _H68    76     1.09774   109.34244    55.17998
   89    86 S   CT   _C23    77     1.52914   112.54159   176.40234
   90    89 S   HC   _H60    78     1.09863   109.36226   -58.04363
   91    89 S   CT   _C14    79     1.52721   112.55742  -179.24204
   92    91 S   HC   _H46    80     1.09433   112.42756    74.27699
   93    91 S   HC   _H47    81     1.09698   110.93997   -46.81243
   94    91 S   CT   _C9_    82     1.52268   103.56603  -164.64705
   95    94 S   HC   _H36    83     1.09646   110.04872   -88.02480
   96    94 S   HC   _H37    84     1.09435   111.83699   152.54644
   97    94 S   CT   _C10    85     1.52827   105.71917    30.27116
   98    97 S   HC   _H38    86     1.09509   111.51732   113.61862
   99    97 S   HC   _H39    87     1.09577   110.06622  -127.33939
  100    89 S   CT   _C15    88     1.52814   114.36691    64.67846
  101   100 S   HC   _H48    89     1.09699   110.76750    40.88403
  102   100 S   HC   _H49    90     1.09449   112.40209   -79.66815
  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
  20   2   1   1  14   5  13   6   5   8   4   8   5   4   8   4
   3  11   4  16   8  12   6   5  15   5   4  19  19   9   9   3
   2   1  11   6   5   6   3   6   4   3   2   1   1   5   2   6
   8   4   9   5   4  12   5   4  13   8  11   6   5   8   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    52    75    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    53    54    70    75    76    77    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    52    75    39    40    41  
   42    43    44    50    39  
   40    41    42    47    50    51    52    61    70    71    75    76    77  
   41    50    70    75    76    77  
   50    70    75    76    77  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54    70  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    57    61    70    71    75  
   52    53    54    70  
   53    54    55    56    57    58    59    60    61    62    67    70    71    75    76    77  
   54    55    56    57    61    70    71    75  
   55    56    57    58    59    60    61    78    70    71    75    63  
   56    57    58    59    60    70  
   57    58    59    60    70  
   58    59    60    61    62    67    72    78    79    80    70    63    64    65    66  
   59    60    61    78    63  
   60    61    78    63  
   61    62    67    68    69    72    73    74    78    79    80    81    70    71    75    63    64    65    66  
   62    67    68    69    72    73    74    78    79    80    70    71    75    76    77    63    64    65    66  
   67    68    69    72    78    70    71    75    63  
   64    65    66    67    70    72    78    79    80  
   65    66    78  
   66    78  
   78  
   68    69    72    73    74    78    79    80    70    71    75  
   69    72    73    74    78    70  
   72    73    74    78    70  
   71    75    76    77    72    78  
   75    76    77  
   73    74    78    79    80    81  
   74    78    79    80  
   78    79    80  
   76    77  
   77  
    0  
   79    80    81    82    83  
   80    81  
   81    82    83    84    85    86  
   82    83    84    85    86    87    88    89  
   83    84    85    86  
   84    85    86    87    88    89    90    91   100  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92    93    94    97   100   101   102  
   88    89    90    91   100  
   89    90    91   100  
   90    91    92    93    94    95    96    97    98    99   100   101   102  
   91    92    93    94    97   100   101   102  
   92    93    94    95    96    97    98    99   100   101   102  
   93    94    95    96    97   100  
   94    95    96    97   100  
   95    96    97    98    99   100   101   102  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    70   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    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   268.000  1.529
   60    78   268.000  1.529
   60    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   320.000  1.410
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   268.000  1.529
   89   100   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
   70    71   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    58.35000  112.70000
   50    52    70    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    58.35000  112.70000
   52    70    61    58.35000  112.70000
   52    70    71    37.50000  110.70000
   52    70    75    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    58.35000  112.70000
   57    60    78    58.35000  112.70000
   57    60    63    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    61    62    37.50000  110.70000
   60    61    67    58.35000  112.70000
   60    61    70    58.35000  112.70000
   60    78    72    58.35000  112.70000
   60    78    79    37.50000  110.70000
   60    78    80    50.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    75    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    78    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    50.00000  109.50000
   74    72    73    33.00000  107.80000
   78    60    61    58.35000  112.70000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    80    81    83.00000  116.90000
   80    78    79    35.00000  109.50000
   80    81    82    83.00000  123.40000
   80    81    83    81.00000  111.40000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    63.00000  111.10000
   83    81    82    80.00000  120.40000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    58.35000  112.70000
   86    89   100    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    91    92    37.50000  110.70000
   89    91    93    37.50000  110.70000
   89    91    94    58.35000  112.70000
   89   100    97    58.35000  112.70000
   89   100   101    37.50000  110.70000
   89   100   102    37.50000  110.70000
   91    89    90    37.50000  110.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    89    90    37.50000  110.70000
  100    89    91    58.35000  112.70000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  102   100   101    33.00000  107.80000
   70    52    53    37.50000  110.70000
   70    52    54    58.35000  112.70000
   70    61    62    37.50000  110.70000
   70    61    67    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    39    58.35000  112.70000
   75    70    71    37.50000  110.70000
   75    39    40    37.50000  110.70000
   75    39    41    37.50000  110.70000
   77    75    76    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   41    39    40    33.00000  107.80000
   63    60    61    58.35000  112.70000
   63    60    78    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   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
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
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  100    89    91    92   0.15000  1.0 3.0
  100    89    91    93   0.15000  1.0 3.0
  100    89   -91    94   0.56750  1.0 1.0
  100    89   -91    94  -0.07550 -1.0 2.0
  100    89   -91    94   0.20000  1.0 3.0
   70    52    54    55   0.15000  1.0 3.0
   70    52    54    56   0.15000  1.0 3.0
   70    52   -54    57   0.56750  1.0 1.0
   70    52   -54    57  -0.07550 -1.0 2.0
   70    52   -54    57   0.20000  1.0 3.0
   70    61    67    68   0.15000  1.0 3.0
   70    61    67    69   0.15000  1.0 3.0
   70    61    67    72   0.56750  1.0 1.0
   70    61    67    72  -0.07550 -1.0 2.0
   70    61    67    72   0.20000  1.0 3.0
   70    75   -39    33   0.56750  1.0 1.0
   70    75   -39    33  -0.07550 -1.0 2.0
   70    75   -39    33   0.20000  1.0 3.0
   70    75    39    40   0.15000  1.0 3.0
   70    75    39    41   0.15000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    39   0.15000  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    41   0.15000  1.0 3.0
   77    75    39    33   0.15000  1.0 3.0
   77    75    39    40   0.15000  1.0 3.0
   77    75    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33   -50    52   0.56750  1.0 1.0
   39    33   -50    52  -0.07550 -1.0 2.0
   39    33   -50    52   0.20000  1.0 3.0
   63    60    61    62   0.15000  1.0 3.0
   63    60    61    67   0.56750  1.0 1.0
   63    60    61    67  -0.07550 -1.0 2.0
   63    60    61    67   0.20000  1.0 3.0
   63    60    61    70   0.56750  1.0 1.0
   63    60    61    70  -0.07550 -1.0 2.0
   63    60    61    70   0.20000  1.0 3.0
   63    60    78    72   0.56750  1.0 1.0
   63    60    78    72  -0.07550 -1.0 2.0
   63    60    78    72   0.20000  1.0 3.0
   63    60    78    79   0.15000  1.0 3.0
   63    60    78    80   0.62750  1.0 1.0
   63    60    78    80  -0.30950 -1.0 2.0
   63    60    78    80   0.27300  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    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
END
