* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    208    325     616
    1     0 S   NP   _N1_     1    29.84342    92.49215   -17.06898
    2     1 S   H    _HN1     2     1.02760    68.05589   -43.71075
    3     1 S   H    _H1_     3     1.03114   138.02241    49.09475
    4     1 S   H    _H2_     4     1.02943    44.35486   108.96208
    5     1 S   CT   _CA1     5     1.50588   108.36955  -150.83743
    6     5 S   HC   _HA1     6     1.09660   104.58067    19.44754
    7     5 S   CO3  _C1_     7     1.54616   111.18228   -96.30106
    8     7 S   O2Z  _O11     8     1.26069   116.93584  -129.63548
    9     7 S   O2Z  _O12     9     1.26625   113.73474    49.69870
   10     5 S   CT   _CB1    10     1.52966   106.78955   135.81334
   11    10 S   HC   HB11    11     1.09859   110.31362   -38.60322
   12    10 S   HC   HB12    12     1.09707   109.82143    77.49498
   13    10 S   CT   _CG1    13     1.53064   112.68563  -159.04130
   14    13 S   HC   HG11    14     1.09484   111.94612   -51.28741
   15    13 S   HC   HG12    15     1.09595   110.49052    67.82511
   16    13 S   C    _CD1    16     1.51358   109.80328  -172.46266
   17    16 S   O    _OE1    17     1.22796   122.00101   -96.94834
   18    16 S   N    _N2_    18     1.38257   112.47613    81.08110
   19    18 S   H    _HN2    19     1.01623   118.96241     6.13207
   20    18 S   CT1  _CA2    20     1.45785   123.20060  -176.23017
   21    20 S   HC   _HA2    21     1.09731   108.74152    26.66096
   22    20 S   C    _C2_    22     1.52833   107.54910   -90.90512
   23    22 S   O    _O2_    23     1.22940   122.94126   -27.38465
   24    20 S   CT   _CB2    32     1.53386   111.50736   149.40882
   25    24 S   HC   HB21    33     1.09151   108.97990    59.23546
   26    24 S   HC   HB22    34     1.09521   110.46854   177.01364
   27    22 S   N    _N3_    24     1.38614   112.35108   155.55796
   28    27 S   H    _HN3    25     1.01497   119.73206     0.89766
   29    24 S   S    _SG2    35     1.83016   110.37388   -63.79058
   30    27 S   CT   _CA3    26     1.45437   122.79420   175.45197
   31    30 S   HC   HA31    27     1.09540   108.92338    30.98572
   32    30 S   HC   HA32    28     1.09479   107.19979   148.09854
   33    29 S   CT   _C21    36     1.91963   103.87422   147.58418
   34    30 S   CO3  _C3_    29     1.53037   113.51322   -92.05024
   35    34 S   O2Z  _O31    30     1.26378   115.74222   -33.57357
   36    34 S   O2Z  _O32    31     1.26402   114.73798   147.32133
   37    33 S   CT   _C20    37     1.56784   108.30383    51.30334
   38    37 S   HC   _H9_    38     1.09531   109.57196   -54.60730
   39    33 S   CT   _C22   103     1.56033   105.15750   -63.83113
   40    39 S   HC   _H26   104     1.08862   112.93308  -175.14312
   41    39 S   HC   _H27   105     1.09441   110.99763    68.38713
   42    37 S   CT   _C19    39     1.53047   113.94773    66.58655
   43    42 S   HC   _H24    40     1.09650   109.64390   -72.34774
   44    42 S   HC   _H25    41     1.09664   109.95630   171.32135
   45    37 S   OS   _O36    96     1.44909   109.05136  -171.00084
   46    39 S   OH   _O35   106     1.41671   112.91826   -51.80006
   47    46 S   HO   _H28   107     0.97421   108.36027   172.63595
   48    42 S   CT   _C18    42     1.52676   114.22316    49.80234
   49    48 S   HC   _H22    43     1.09316   109.81438    71.90921
   50    48 S   HC   _H23    44     1.09156   106.19811  -175.76340
   51    45 S   CO4  _C23    97     1.36140   118.53560   151.96905
   52    51 S   O    _O37    98     1.22258   126.51569     0.25179
   53    48 S   CT   _C9_    45     1.55379   112.41567   -52.91320
   54    53 S   HC   _H5_    46     1.09570   105.01512   -53.74488
   55    51 S   CT   _C24    99     1.49848   109.28207  -179.63792
   56    55 S   HC   _H29   100     1.09302   109.82159   -59.86318
   57    55 S   HC   _H30   101     1.09369   109.38593  -178.90478
   58    55 S   HC   _H31   102     1.09296   109.79174    61.94833
   59    53 S   CT   _C10    47     1.60679   114.18377  -163.83774
   60    59 S   CT   _C5_    48     1.57704   107.30967  -177.43822
   61    60 S   HC   _H3_    49     1.09904   107.92010   -63.61625
   62    59 S   CT   _C12    77     1.59208   107.92582    64.25118
   63    62 S   HC   _H6_    78     1.09133   109.34606   -37.51367
   64    59 S   CT   _C11    92     1.54399   111.51911   -53.81690
   65    64 S   HC   _H15    93     1.09419   112.02747   175.89649
   66    64 S   HC   _H16    94     1.09457   111.50653    56.72076
   67    64 S   HC   _H17    95     1.08705   113.39216   -65.34561
   68    60 S   CT   _C6_    50     1.52772   112.89609    52.28632
   69    68 S   HC   _H13    51     1.09530   111.45407    63.87541
   70    68 S   HC   _H14    52     1.09847   109.05308   177.98016
   71    60 S   CT   _C4_    73     1.53408   115.96923   178.07268
   72    71 S   HC   _H10    74     1.09317   112.32410   -54.71033
   73    71 S   HC   _H11    75     1.09644   110.75636  -174.47518
   74    71 S   HC   _H12    76     1.09194   111.38302    68.36956
   75    62 S   CT   _C13    79     1.52843   119.28812  -158.58067
   76    75 S   HC   _H18    80     1.09538   112.09991    79.39030
   77    75 S   HC   _H19    81     1.09092   112.34782   -41.38887
   78    62 S   OS   _O34    91     1.43899   111.43726    78.15218
   79    68 S   CT   _C7_    53     1.53351   112.46425   -62.36958
   80    79 S   HC   _H4_    54     1.09425   108.01293   -62.67803
   81    75 S   CT   _C14    82     1.51403   103.48332  -158.35587
   82    81 S   HC   _H7_    83     1.09486   112.42593   147.86845
   83    33 S   CT   _C8_    55     1.66097   108.84828   170.74976
   84    79 S   OS   _O40    66     1.44886   105.98823  -179.26885
   85    81 S   CM   _C15    84     1.48439   115.72858   -84.83257
   86    85 S   HC   _H20    85     1.07893   125.78800   -63.05541
   87    83 S   CT   _C25    56     1.58281   111.81303   178.74930
   88    87 S   HC   _H32    57     1.08795   110.46705  -173.16580
   89    87 S   HC   _H33    58     1.08940   112.52142    68.06656
   90    84 S   CO4  _C28    67     1.36171   118.94620    82.03091
   91    90 S   O    _O41    68     1.22369   126.72618     1.82027
   92    85 S   CM   _C16    86     1.32682   108.48442   119.35658
   93    92 S   HC   _H21    87     1.07556   128.50095   177.64158
   94    87 S   OS   _O38    59     1.43552   113.58074   -55.01308
   95    90 S   CT   _C29    69     1.49891   109.29259  -178.30096
   96    95 S   HC   _H37    70     1.09267   109.93011   -62.76212
   97    95 S   HC   _H38    71     1.09363   109.36445   177.95876
   98    95 S   HC   _H39    72     1.09299   109.80069    59.07778
   99    92 S   OS   _O33    88     1.37668   116.47024    -1.49423
  100    94 S   CO4  _C26    60     1.36208   116.31269   176.58493
  101   100 S   O    _O39    61     1.22314   126.33346    -0.15451
  102    81 S   CO   _C17    89     1.53041   104.22170    25.31997
  103   102 S   HC   _H8_    90     1.09529   112.24532   108.65206
  104   100 S   CT   _C27    62     1.49814   109.43402  -179.79923
  105   104 S   HC   _H34    63     1.09307   109.84558   -58.42064
  106   104 S   HC   _H35    64     1.09370   109.37278  -177.37856
  107   104 S   HC   _H36    65     1.09287   109.76269    63.42554
  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  13   5   4   3
  25   2   1   1  19   8  10   4   3  11   6   5   8   2   1  11
   5   4   5   4  22   7   3   2   1   1  24  20  10  18   7   8
   2   1   1  12   6   5   4   2   1   1  11   6   5   7  10   4
   8   6   7   7   6   4   6   3   2   5   4   4   2   6   3   2
   1   1   2   5   4   1   1   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    83    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    79    83    87    45    39    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    48    53    54    59    68    79    80    83    87    88    89    94    84    45    51    39    40    41    46    47  
   35    36  
   36  
    0  
   38    42    43    44    48    49    50    53    79    83    87    45    51    52    55    39    40    41    46  
   42    43    44    48    83    45    51    39  
   40    41    46    47    42    45    53    79    83    87  
   41    46    47    83  
   46    47    83  
   43    44    48    49    50    53    54    59    83    45    51  
   44    48    49    50    53    45  
   48    49    50    53    45  
   51    52    55    56    57    58    48    83  
   47    83  
    0  
   49    50    53    54    59    60    79    83    87    62    64  
   50    53    54    59    83  
   53    54    59    83  
   52    55    56    57    58  
   55    56    57    58  
   54    59    60    61    68    79    80    83    87    88    89    94    84    71    62    63    75    78    64    65    66    67  
   59    60    79    83    87    62    64  
   56    57    58  
   57    58  
   58  
    0  
   60    61    68    69    70    79    83    87    71    72    73    74    62    63    75    76    77    81   102    78    64    65    66    67  
   61    68    69    70    79    80    83    84    71    72    73    74    62    63    75    78    64    65    66    67  
   68    69    70    79    71    72    73    74    62    64  
   63    75    76    77    81    82    85    99   102   103    78    64    65    66    67    68    71    83  
   75    76    77    81   102    78    64  
   65    66    67    68    71    75    78    83  
   66    67  
   67  
    0  
   69    70    79    80    83    87    84    90    71    72    73    74  
   70    79    80    83    84    71  
   79    80    83    84    71  
   72    73    74    79  
   73    74  
   74  
    0  
   76    77    81    82    85    86    92    99   102   103    78  
   77    81    82    85   102    78  
   81    82    85   102    78  
   81    82    85    92    99   102   103  
   80    83    87    88    89    94    84    90    91    95  
   83    87    84    90  
   82    85    86    92    93    99   102   103  
   85    86    92    99   102   103  
   87    88    89    94   100    84    90  
   90    91    95    96    97    98    87  
   86    92    93    99   102   103  
   92    93    99   102  
   88    89    94   100   101   104  
   89    94   100  
   94   100  
   91    95    96    97    98  
   95    96    97    98  
   93    99   102   103  
   99   102  
  100   101   104   105   106   107  
   96    97    98  
   97    98  
   98  
    0  
  102   103  
  101   104   105   106   107  
  104   105   106   107  
  103  
    0  
  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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   33    83   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    83   268.000  1.529
   59    60   268.000  1.529
   59    62   268.000  1.529
   59    64   268.000  1.529
   60    61   340.000  1.090
   60    68   268.000  1.529
   60    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    79   268.000  1.529
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    84   320.000  1.410
   83    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   320.000  1.410
   94   100   214.000  1.327
  100   101   570.000  1.229
  100   104   317.000  1.522
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   84    90   214.000  1.327
   90    91   570.000  1.229
   90    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   62    63   340.000  1.090
   62    75   268.000  1.529
   62    78   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    85   317.000  1.510
   81   102   250.000  1.527
   85    86   340.000  1.080
   85    92   549.000  1.340
   92    93   340.000  1.080
   92    99   440.000  1.360
   99   102   320.000  1.380
  102   103   340.000  1.090
  102    78   320.000  1.380
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    51   214.000  1.327
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    83    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    50.00000  109.50000
   33    83    53    58.35000  112.70000
   33    83    79    58.35000  112.70000
   33    83    87    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    45    51    83.00000  116.90000
   42    37    38    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    59    58.35000  112.70000
   48    53    83    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    59    60    58.35000  112.70000
   53    59    62    58.35000  112.70000
   53    59    64    58.35000  112.70000
   53    83    79    58.35000  112.70000
   53    83    87    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    60    61    37.50000  110.70000
   59    60    68    58.35000  112.70000
   59    60    71    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    75    58.35000  112.70000
   59    62    78    50.00000  109.50000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    79    58.35000  112.70000
   60    71    72    37.50000  110.70000
   60    71    73    37.50000  110.70000
   60    71    74    37.50000  110.70000
   68    60    61    37.50000  110.70000
   68    79    80    37.50000  110.70000
   68    79    83    58.35000  112.70000
   68    79    84    50.00000  109.50000
   70    68    69    33.00000  107.80000
   79    68    69    37.50000  110.70000
   79    68    70    37.50000  110.70000
   79    83    87    58.35000  112.70000
   79    84    90    83.00000  116.90000
   83    33    37    58.35000  112.70000
   83    53    54    37.50000  110.70000
   83    53    59    58.35000  112.70000
   83    79    80    37.50000  110.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    94    50.00000  109.50000
   87    94   100    83.00000  116.90000
   89    87    88    33.00000  107.80000
   94    87    88    35.00000  109.50000
   94    87    89    35.00000  109.50000
   94   100   101    83.00000  123.40000
   94   100   104    81.00000  111.40000
  100   104   105    35.00000  109.50000
  100   104   106    35.00000  109.50000
  100   104   107    35.00000  109.50000
  104   100   101    80.00000  120.40000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    83    50.00000  109.50000
   84    90    91    83.00000  123.40000
   84    90    95    81.00000  111.40000
   90    95    96    35.00000  109.50000
   90    95    97    35.00000  109.50000
   90    95    98    35.00000  109.50000
   95    90    91    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   71    60    61    37.50000  110.70000
   71    60    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   62    59    60    58.35000  112.70000
   62    75    76    37.50000  110.70000
   62    75    77    37.50000  110.70000
   62    75    81    58.35000  112.70000
   62    78   102    60.00000  109.50000
   75    62    63    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    85    70.00000  112.02700
   75    81   102    75.00000  109.43000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    85    86    35.00000  117.00000
   81    85    92    70.00000  124.00000
   81   102    99    90.00000  108.56700
   81   102   103    45.00000  112.01100
   81   102    78    90.00000  108.56700
   85    81    82    35.00000  109.50000
   85    92    93    35.00000  120.00000
   85    92    99    80.00000  120.01400
   92    85    86    35.00000  120.00000
   92    99   102    85.00000  113.97000
   99    92    93    55.00000  109.52600
   99   102   103    35.00000  109.50000
   99   102    78    92.60000  111.55000
  102    81    82    45.00000  108.72000
  102    81    85    70.00000  112.02700
   78    62    63    35.00000  109.50000
   78    62    75    50.00000  109.50000
   78   102   103    35.00000  109.50000
   64    59    60    58.35000  112.70000
   64    59    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    42    50.00000  109.50000
   45    51    52    83.00000  123.40000
   45    51    55    81.00000  111.40000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   55    51    52    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    83    58.35000  112.70000
   39    46    47    55.00000  108.50000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
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   82    81   102    99   0.23400  1.0 3.0
   82    81   102   103   0.15000  1.0 3.0
   82    81   102    78   0.23400  1.0 3.0
   85    81  -102    99   0.61850  1.0 1.0
   85    81  -102    99  -0.22750 -1.0 2.0
   85    81  -102    99   0.15300  1.0 3.0
   85    81   102   103   0.15000  1.0 3.0
   85    81   102    78   0.61850  1.0 1.0
   85    81   102    78  -0.22750 -1.0 2.0
   85    81   102    78   0.15300  1.0 3.0
   85    92   -99   102  -2.26850  1.0 1.0
   85    92   -99   102   3.39050 -1.0 2.0
   86    85    92    93   7.00000 -1.0 2.0
   86    85    92    99   7.00000 -1.0 2.0
   92    99  -102    81  -0.46850  1.0 1.0
   92    99  -102    81   0.09300 -1.0 2.0
   92    99  -102    81  -0.12850  1.0 3.0
   92    99   102   103   0.08050  1.0 3.0
   92    99   102    78  -0.48150  1.0 1.0
   92    99   102    78   0.09250 -1.0 2.0
   92    99   102    78  -0.12850  1.0 3.0
   93    92    99   102   0.50000 -1.0 2.0
   99   102    78    62  -0.53350  1.0 1.0
   99   102    78    62  -0.78350 -1.0 2.0
   99   102    78    62   0.33750  1.0 3.0
  102    81    85    86   0.00000  1.0 1.0
  102    81   -85    92   0.09850  1.0 1.0
  102    81   -85    92   0.15250 -1.0 2.0
  102    81   -85    92  -0.50650  1.0 3.0
  103   102    78    62   0.37050  1.0 3.0
   78    62    75    76   0.23400  1.0 3.0
   78    62    75    77   0.23400  1.0 3.0
   78    62   -75    81   0.62750  1.0 1.0
   78    62   -75    81  -0.30950 -1.0 2.0
   78    62   -75    81   0.27300  1.0 3.0
   64    59    60    61   0.15000  1.0 3.0
   64    59    60    68   0.56750  1.0 1.0
   64    59    60    68  -0.07550 -1.0 2.0
   64    59    60    68   0.20000  1.0 3.0
   64    59    60    71   0.56750  1.0 1.0
   64    59    60    71  -0.07550 -1.0 2.0
   64    59    60    71   0.20000  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59    62    75   0.56750  1.0 1.0
   64    59    62    75  -0.07550 -1.0 2.0
   64    59    62    75   0.20000  1.0 3.0
   64    59    62    78   0.62750  1.0 1.0
   64    59    62    78  -0.30950 -1.0 2.0
   64    59    62    78   0.27300  1.0 3.0
   45    37    42    43   0.23400  1.0 3.0
   45    37    42    44   0.23400  1.0 3.0
   45    37    42    48   0.62750  1.0 1.0
   45    37    42    48  -0.30950 -1.0 2.0
   45    37    42    48   0.27300  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    57   0.00000  1.0 1.0
   45    51    55    58   0.00000  1.0 1.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    58   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.62750  1.0 1.0
   39    33    37    45  -0.30950 -1.0 2.0
   39    33    37    45   0.27300  1.0 3.0
   39    33    83    53   0.56750  1.0 1.0
   39    33    83    53  -0.07550 -1.0 2.0
   39    33    83    53   0.20000  1.0 3.0
   39    33    83    79   0.56750  1.0 1.0
   39    33    83    79  -0.07550 -1.0 2.0
   39    33    83    79   0.20000  1.0 3.0
   39    33    83    87   0.56750  1.0 1.0
   39    33    83    87  -0.07550 -1.0 2.0
   39    33    83    87   0.20000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   41    39    46    47   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   94   104   100   101  10.50000 -1.0 2.0
   84    95    90    91  10.50000 -1.0 2.0
   81    86    85    92   1.10000 -1.0 2.0
   99    93    92    85   1.10000 -1.0 2.0
   45    55    51    52  10.50000 -1.0 2.0
END
