* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    207    322     611
    1     0 S   NP   _N1_     1    29.12964    95.24499   -23.84341
    2     1 S   H    _HN1     2     1.02779   105.99444   -88.66484
    3     1 S   H    _H1_     3     1.02956    78.05836    17.26563
    4     1 S   H    _H2_     4     1.02819    31.78227   172.92471
    5     1 S   CT   _CA1     5     1.50162   134.88842   124.13554
    6     5 S   HC   _HA1     6     1.09580   105.15444    84.19766
    7     5 S   CO3  _C1_     7     1.53783   112.46351   -35.86395
    8     7 S   O2Z  _O11     8     1.26374   115.00626   -40.69214
    9     7 S   O2Z  _O12     9     1.26252   114.94759   138.23290
   10     5 S   CT   _CB1    10     1.53045   107.34268  -157.94230
   11    10 S   HC   HB11    11     1.09835   109.20455   -50.12474
   12    10 S   HC   HB12    12     1.09827   110.47849    66.38575
   13    10 S   CT   _CG1    13     1.53015   112.73755  -171.21137
   14    13 S   HC   HG11    14     1.09587   110.50240   -66.72806
   15    13 S   HC   HG12    15     1.09663   109.96221    52.59477
   16    13 S   C    _CD1    16     1.51764   112.14801   172.77550
   17    16 S   O    _OE1    17     1.22708   123.17478     0.85638
   18    16 S   N    _N2_    18     1.38658   111.77265  -178.63155
   19    18 S   H    _HN2    19     1.01559   119.05202     1.48635
   20    18 S   CT1  _CA2    20     1.46112   123.22367   178.77491
   21    20 S   HC   _HA2    21     1.09568   109.25159     2.07226
   22    20 S   C    _C2_    22     1.53552   109.03558  -113.06335
   23    22 S   O    _O2_    23     1.23086   122.16263  -150.08890
   24    20 S   CT   _CB2    32     1.53389   111.77496   124.46244
   25    24 S   HC   HB21    33     1.09658   109.55198    64.13204
   26    24 S   HC   HB22    34     1.09571   110.91488  -178.59083
   27    22 S   N    _N3_    24     1.38312   113.85060    37.34573
   28    27 S   H    _HN3    25     1.01592   119.52672    -3.08616
   29    24 S   S    _SG2    35     1.82788   114.63628   -55.46328
   30    27 S   CT   _CA3    26     1.45285   123.17191   177.09586
   31    30 S   HC   HA31    27     1.09551   107.48602   -65.30489
   32    30 S   HC   HA32    28     1.09561   107.99640    51.11086
   33    29 S   CT   _C29    36     1.84807    99.96136   -68.75439
   34    33 S   HC   _H3_    37     1.09109   104.91588   -57.06265
   35    33 S   HC   _H4_    38     1.09457   105.76995    56.37561
   36    30 S   CO3  _C3_    29     1.52949   114.15110   173.17916
   37    36 S   O2Z  _O31    30     1.26367   116.08790     0.63796
   38    36 S   O2Z  _O32    31     1.26437   114.40080  -179.30677
   39    33 S   CT   _C22    39     1.58530   117.26279   179.31244
   40    39 S   OM   _O27    40     1.32718   104.83119   -65.79675
   41    39 S   CT   _C17    41     1.57381   111.02964    49.96292
   42    41 S   HC   _H51    42     1.09682   110.60035   -51.51047
   43    41 S   CT   _C10    43     1.53029   111.44137    69.50674
   44    43 S   HC   _H41    44     1.09606   110.07209   -67.54218
   45    43 S   HC   _H42    45     1.09664   109.86302   175.50760
   46    41 S   OS   _O35   100     1.45299   110.94976  -170.24887
   47    43 S   CT   _C9_    46     1.52935   112.95500    54.94595
   48    47 S   HC   _H39    47     1.09386   109.75031    66.74110
   49    47 S   HC   _H40    48     1.09124   106.27239   179.68102
   50    46 S   CO4  _C6_   101     1.36042   118.51809   152.60521
   51    50 S   O    _O28   102     1.22313   126.71086     1.60706
   52    47 S   CT   _C14    49     1.55299   112.22223   -57.45815
   53    52 S   HC   _H48    50     1.09651   105.11804   -53.46328
   54    50 S   CT   _C23   103     1.49862   109.23962  -178.49989
   55    54 S   HC   _H54   104     1.09303   109.83308   -59.54328
   56    54 S   HC   _H55   105     1.09371   109.38579  -178.56455
   57    54 S   HC   _H56   106     1.09293   109.79735    62.30014
   58    52 S   CT   _C20    51     1.61310   114.44292  -164.31188
   59    58 S   CT   _C15    52     1.58372   108.12950  -177.40580
   60    59 S   HC   _H49    53     1.09874   107.60387   -67.53682
   61    58 S   CT   _C16    81     1.59311   107.57733    64.07977
   62    61 S   HC   _H50    82     1.09126   109.22565   -38.21050
   63    58 S   CT   _C27    96     1.54446   111.56722   -53.62987
   64    63 S   HC   _H66    97     1.09429   112.03911   172.79541
   65    63 S   HC   _H67    98     1.09418   111.67125    53.63517
   66    63 S   HC   _H68    99     1.08706   113.32765   -68.83324
   67    59 S   CT   _C12    54     1.53279   113.85177    48.00779
   68    67 S   HC   _H45    55     1.09428   111.68085    67.76863
   69    67 S   HC   _H46    56     1.09866   109.08563  -177.95177
   70    59 S   CT   _C26    77     1.53407   116.07059   174.52196
   71    70 S   HC   _H63    78     1.09312   112.36223   -54.39449
   72    70 S   HC   _H64    79     1.09651   110.74038  -174.09203
   73    70 S   HC   _H65    80     1.09140   111.40637    68.80776
   74    61 S   CT   _C11    83     1.52821   119.50741  -159.13391
   75    74 S   HC   _H43    84     1.09542   112.09634    79.39435
   76    74 S   HC   _H44    85     1.09027   112.39585   -41.40982
   77    61 S   OS   _O34    95     1.43894   111.44543    77.41572
   78    67 S   CT   _C18    57     1.53064   111.51160   -58.75224
   79    78 S   HC   _H52    58     1.09575   106.92781   -56.94591
   80    74 S   CT   _C13    86     1.51398   103.52945  -158.38521
   81    80 S   HC   _H47    87     1.09488   112.42611   147.83829
   82    39 S   CT   _C21    59     1.65677   111.51347   173.85726
   83    78 S   OS   _O36    70     1.44323   108.21677  -174.25997
   84    80 S   CM   _C4_    88     1.48440   115.74686   -84.86547
   85    84 S   HC   _H37    89     1.07894   125.79174   -63.02141
   86    82 S   CT   _C28    60     1.58468   112.01683   170.74199
   87    86 S   HC   _H69    61     1.08584   111.13403  -173.34186
   88    86 S   HC   _H70    62     1.09038   111.89298    68.20961
   89    83 S   CO4  _C7_    71     1.36170   117.84303    86.40008
   90    89 S   O    _O29    72     1.22342   126.53890    -4.45857
   91    84 S   CM   _C5_    90     1.32682   108.47641   119.41003
   92    91 S   HC   _H38    91     1.07556   128.50401   177.62068
   93    86 S   OS   _O37    63     1.43915   113.39223   -55.83291
   94    89 S   CT   _C24    73     1.49837   109.39773   175.74996
   95    94 S   HC   _H57    74     1.09302   109.82075   -60.84013
   96    94 S   HC   _H58    75     1.09379   109.35960  -179.78420
   97    94 S   HC   _H59    76     1.09284   109.85037    61.07496
   98    91 S   OS   _O33    92     1.37670   116.46634    -1.50207
   99    93 S   CO4  _C8_    64     1.36023   116.65935   166.63518
  100    99 S   O    _O30    65     1.22356   126.48535     2.01052
  101    80 S   CO   _C19    93     1.53018   104.21248    25.29447
  102   101 S   HC   _H53    94     1.09529   112.23852   108.56808
  103    99 S   CT   _C25    66     1.49822   109.42407  -177.86834
  104   103 S   HC   _H60    67     1.09302   109.86338   -58.82009
  105   103 S   HC   _H61    68     1.09374   109.36714  -177.79860
  106   103 S   HC   _H62    69     1.09288   109.77691    63.06265
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  12   5   4   2   1   1  21   8  15   7  11   6   5   8  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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    82  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    52    78    82    86    46  
   35    39    40    41    82  
   39    40    41    82  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    52    53    58    67    78    79    82    86    87    88    93    83    46    50  
   41    42    43    52    78    82    86    46  
   42    43    44    45    47    48    49    52    78    82    86    46    50    51    54  
   43    44    45    47    82    46    50  
   44    45    47    48    49    52    53    58    82    46    50  
   45    47    48    49    52    46  
   47    48    49    52    46  
   50    51    54    55    56    57    47    82  
   48    49    52    53    58    59    78    82    86    61    63  
   49    52    53    58    82  
   52    53    58    82  
   51    54    55    56    57  
   54    55    56    57  
   53    58    59    60    67    78    79    82    86    87    88    93    83    70    61    62    74    77    63    64    65    66  
   58    59    78    82    86    61    63  
   55    56    57  
   56    57  
   57  
    0  
   59    60    67    68    69    78    82    86    70    71    72    73    61    62    74    75    76    80   101    77    63    64    65    66  
   60    67    68    69    78    79    82    83    70    71    72    73    61    62    74    77    63    64    65    66  
   67    68    69    78    70    71    72    73    61    63  
   62    74    75    76    80    81    84    98   101   102    77    63    64    65    66    67    70    82  
   74    75    76    80   101    77    63  
   64    65    66    67    70    74    77    82  
   65    66  
   66  
    0  
   68    69    78    79    82    86    83    89    70    71    72    73  
   69    78    79    82    83    70  
   78    79    82    83    70  
   71    72    73    78  
   72    73  
   73  
    0  
   75    76    80    81    84    85    91    98   101   102    77  
   76    80    81    84   101    77  
   80    81    84   101    77  
   80    81    84    91    98   101   102  
   79    82    86    87    88    93    83    89    90    94  
   82    86    83    89  
   81    84    85    91    92    98   101   102  
   84    85    91    98   101   102  
   86    87    88    93    99    83    89  
   89    90    94    95    96    97    86  
   85    91    92    98   101   102  
   91    92    98   101  
   87    88    93    99   100   103  
   88    93    99  
   93    99  
   90    94    95    96    97  
   94    95    96    97  
   92    98   101   102  
   98   101  
   99   100   103   104   105   106  
   95    96    97  
   96    97  
   97  
    0  
  101   102  
  100   103   104   105   106  
  103   104   105   106  
  102  
    0  
  104   105   106  
  105   106  
  106  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    82   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    82   268.000  1.529
   58    59   268.000  1.529
   58    61   268.000  1.529
   58    63   268.000  1.529
   59    60   340.000  1.090
   59    67   268.000  1.529
   59    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    78   268.000  1.529
   78    79   340.000  1.090
   78    82   268.000  1.529
   78    83   320.000  1.410
   82    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   320.000  1.410
   93    99   214.000  1.327
   99   100   570.000  1.229
   99   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   83    89   214.000  1.327
   89    90   570.000  1.229
   89    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   61    62   340.000  1.090
   61    74   268.000  1.529
   61    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    84   317.000  1.510
   80   101   250.000  1.527
   84    85   340.000  1.080
   84    91   549.000  1.340
   91    92   340.000  1.080
   91    98   440.000  1.360
   98   101   320.000  1.380
  101   102   340.000  1.090
  101    77   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    50   214.000  1.327
   50    51   570.000  1.229
   50    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    82    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    82    52    58.35000  112.70000
   39    82    78    58.35000  112.70000
   39    82    86    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    50    83.00000  116.90000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    58    58.35000  112.70000
   47    52    82    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    58    59    58.35000  112.70000
   52    58    61    58.35000  112.70000
   52    58    63    58.35000  112.70000
   52    82    78    58.35000  112.70000
   52    82    86    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    59    60    37.50000  110.70000
   58    59    67    58.35000  112.70000
   58    59    70    58.35000  112.70000
   58    61    62    37.50000  110.70000
   58    61    74    58.35000  112.70000
   58    61    77    50.00000  109.50000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    78    58.35000  112.70000
   59    70    71    37.50000  110.70000
   59    70    72    37.50000  110.70000
   59    70    73    37.50000  110.70000
   67    59    60    37.50000  110.70000
   67    78    79    37.50000  110.70000
   67    78    82    58.35000  112.70000
   67    78    83    50.00000  109.50000
   69    67    68    33.00000  107.80000
   78    67    68    37.50000  110.70000
   78    67    69    37.50000  110.70000
   78    82    86    58.35000  112.70000
   78    83    89    83.00000  116.90000
   82    39    40    50.00000  109.50000
   82    39    41    58.35000  112.70000
   82    52    53    37.50000  110.70000
   82    52    58    58.35000  112.70000
   82    78    79    37.50000  110.70000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    93    50.00000  109.50000
   86    93    99    83.00000  116.90000
   88    86    87    33.00000  107.80000
   93    86    87    35.00000  109.50000
   93    86    88    35.00000  109.50000
   93    99   100    83.00000  123.40000
   93    99   103    81.00000  111.40000
   99   103   104    35.00000  109.50000
   99   103   105    35.00000  109.50000
   99   103   106    35.00000  109.50000
  103    99   100    80.00000  120.40000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    82    50.00000  109.50000
   83    89    90    83.00000  123.40000
   83    89    94    81.00000  111.40000
   89    94    95    35.00000  109.50000
   89    94    96    35.00000  109.50000
   89    94    97    35.00000  109.50000
   94    89    90    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   70    59    60    37.50000  110.70000
   70    59    67    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   61    58    59    58.35000  112.70000
   61    74    75    37.50000  110.70000
   61    74    76    37.50000  110.70000
   61    74    80    58.35000  112.70000
   61    77   101    60.00000  109.50000
   74    61    62    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    84    70.00000  112.02700
   74    80   101    75.00000  109.43000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    84    85    35.00000  117.00000
   80    84    91    70.00000  124.00000
   80   101    98    90.00000  108.56700
   80   101   102    45.00000  112.01100
   80   101    77    90.00000  108.56700
   84    80    81    35.00000  109.50000
   84    91    92    35.00000  120.00000
   84    91    98    80.00000  120.01400
   91    84    85    35.00000  120.00000
   91    98   101    85.00000  113.97000
   98    91    92    55.00000  109.52600
   98   101   102    35.00000  109.50000
   98   101    77    92.60000  111.55000
  101    80    81    45.00000  108.72000
  101    80    84    70.00000  112.02700
   77    61    62    35.00000  109.50000
   77    61    74    50.00000  109.50000
   77   101   102    35.00000  109.50000
   63    58    59    58.35000  112.70000
   63    58    61    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
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    50    51    83.00000  123.40000
   46    50    54    81.00000  111.40000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   54    50    51    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   80   101   -77    61  -0.01100 -1.0 2.0
   80   101   -77    61   0.28050  1.0 3.0
   81    80    84    85   0.33100  1.0 3.0
   81    80    84    91   0.00000  1.0 1.0
   81    80   101    98   0.23400  1.0 3.0
   81    80   101   102   0.15000  1.0 3.0
   81    80   101    77   0.23400  1.0 3.0
   84    80  -101    98   0.61850  1.0 1.0
   84    80  -101    98  -0.22750 -1.0 2.0
   84    80  -101    98   0.15300  1.0 3.0
   84    80   101   102   0.15000  1.0 3.0
   84    80   101    77   0.61850  1.0 1.0
   84    80   101    77  -0.22750 -1.0 2.0
   84    80   101    77   0.15300  1.0 3.0
   84    91   -98   101  -2.26850  1.0 1.0
   84    91   -98   101   3.39050 -1.0 2.0
   85    84    91    92   7.00000 -1.0 2.0
   85    84    91    98   7.00000 -1.0 2.0
   91    98  -101    80  -0.46850  1.0 1.0
   91    98  -101    80   0.09300 -1.0 2.0
   91    98  -101    80  -0.12850  1.0 3.0
   91    98   101   102   0.08050  1.0 3.0
   91    98   101    77  -0.48150  1.0 1.0
   91    98   101    77   0.09250 -1.0 2.0
   91    98   101    77  -0.12850  1.0 3.0
   92    91    98   101   0.50000 -1.0 2.0
   98   101    77    61  -0.53350  1.0 1.0
   98   101    77    61  -0.78350 -1.0 2.0
   98   101    77    61   0.33750  1.0 3.0
  101    80    84    85   0.00000  1.0 1.0
  101    80   -84    91   0.09850  1.0 1.0
  101    80   -84    91   0.15250 -1.0 2.0
  101    80   -84    91  -0.50650  1.0 3.0
  102   101    77    61   0.37050  1.0 3.0
   77    61    74    75   0.23400  1.0 3.0
   77    61    74    76   0.23400  1.0 3.0
   77    61   -74    80   0.62750  1.0 1.0
   77    61   -74    80  -0.30950 -1.0 2.0
   77    61   -74    80   0.27300  1.0 3.0
   63    58    59    60   0.15000  1.0 3.0
   63    58    59    67   0.56750  1.0 1.0
   63    58    59    67  -0.07550 -1.0 2.0
   63    58    59    67   0.20000  1.0 3.0
   63    58    59    70   0.56750  1.0 1.0
   63    58    59    70  -0.07550 -1.0 2.0
   63    58    59    70   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    74   0.56750  1.0 1.0
   63    58    61    74  -0.07550 -1.0 2.0
   63    58    61    74   0.20000  1.0 3.0
   63    58    61    77   0.62750  1.0 1.0
   63    58    61    77  -0.30950 -1.0 2.0
   63    58    61    77   0.27300  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   51    50    54    57   0.00000  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   93   103    99   100  10.50000 -1.0 2.0
   83    94    89    90  10.50000 -1.0 2.0
   80    85    84    91   1.10000 -1.0 2.0
   98    92    91    84   1.10000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
END
