* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    219    356     660
    1     0 S   NP   _N1_     1    28.11989    94.68879   -24.18451
    2     1 S   H    _HN1     2     1.02958    89.42011   -16.65694
    3     1 S   H    _H1_     3     1.02838    20.89301   131.39111
    4     1 S   H    _H2_     4     1.02778   104.13540  -125.43211
    5     1 S   CT   _CA1     5     1.50116   129.09306    99.52561
    6     5 S   HC   _HA1     6     1.09566   105.25654    70.82510
    7     5 S   CO3  _C1_     7     1.53801   112.33730   -49.52196
    8     7 S   O2Z  _O11     8     1.26375   114.98686   -44.02468
    9     7 S   O2Z  _O12     9     1.26225   114.94463   135.14461
   10     5 S   CT   _CB1    10     1.53077   107.44533  -171.11626
   11    10 S   HC   HB11    11     1.09833   109.52834   -49.53914
   12    10 S   HC   HB12    12     1.09778   110.30713    66.93823
   13    10 S   CT   _CG1    13     1.53047   112.65056  -170.45017
   14    13 S   HC   HG11    14     1.09569   110.74470   -62.35218
   15    13 S   HC   HG12    15     1.09652   109.75543    56.86293
   16    13 S   C    _CD1    16     1.51796   112.14908   177.56627
   17    16 S   O    _OE1    17     1.22767   123.19146     8.20150
   18    16 S   N    _N2_    18     1.38572   111.86550  -172.47736
   19    18 S   H    _HN2    19     1.01554   119.12403     4.80730
   20    18 S   CT1  _CA2    20     1.45777   122.63844   178.11166
   21    20 S   HC   _HA2    21     1.09756   108.81734    26.78535
   22    20 S   C    _C2_    22     1.53048   107.27394   -90.13685
   23    22 S   O    _O2_    23     1.22958   123.13019   -24.04987
   24    20 S   CT   _CB2    32     1.53542   112.52471   149.95669
   25    24 S   HC   HB21    33     1.09317   109.37217    55.30578
   26    24 S   HC   HB22    34     1.09152   108.49203   174.38211
   27    22 S   N    _N3_    24     1.38515   112.45517   158.70536
   28    27 S   H    _HN3    25     1.01651   120.31743    -2.56399
   29    24 S   S    _SG2    35     1.82305   110.71234   -65.41503
   30    27 S   CT   _CA3    26     1.45341   122.61065   178.06285
   31    30 S   HC   HA31    27     1.09563   107.98994   -52.28840
   32    30 S   HC   HA32    28     1.09555   107.47800    64.10749
   33    29 S   CT   _C21    36     1.89935   105.19247  -172.55223
   34    30 S   CO3  _C3_    29     1.52912   114.22063  -174.20688
   35    34 S   O2Z  _O31    30     1.26349   116.03804     2.36621
   36    34 S   O2Z  _O32    31     1.26431   114.42536  -177.69336
   37    33 S   CM   _C6_    37     1.54256   108.55149    53.48051
   38    37 S   CM   _C4_    38     1.35035   118.57739    86.94999
   39    38 S   HC   _H36    39     1.08527   122.57544   179.69099
   40    37 S   CM   _C7_    98     1.47665   119.38829   -95.15042
   41    38 S   CM   _C5_    40     1.44387   123.26177    -0.97599
   42    41 S   HC   _H37    41     1.08403   114.87914  -160.23015
   43    40 S   CM   _C8_    99     1.34652   122.75285    -4.32173
   44    40 S   CT   _C27   107     1.51488   117.66938   173.39241
   45    44 S   HC   _H55   108     1.09552   110.62290    65.14092
   46    44 S   HC   _H56   109     1.09587   110.66288   -55.97912
   47    44 S   HC   _H57   110     1.09469   113.20565  -175.30460
   48    41 S   CM   _C9_    42     1.34797   122.74670    20.53410
   49    43 S   CO4  _C10   100     1.48243   121.18241    -2.03336
   50    49 S   O    _O33   101     1.23086   119.64136   171.49188
   51    43 S   OH   _O35   105     1.38164   122.23201   177.09236
   52    51 S   HO   _H76   106     0.97451   107.01134  -177.95168
   53    33 S   CT   _C22    43     1.64287   108.39534   171.96620
   54    33 S   CT   _C12   102     1.54750   107.40231   -68.54723
   55    54 S   HC   _H38   103     1.09660   111.24064   -40.23406
   56    54 S   HC   _H39   104     1.09299   112.13759  -159.31337
   57    53 S   CT   _C13    44     1.55903   112.73859    54.13169
   58    57 S   HC   _H40    45     1.09919   108.76006   132.78969
   59    57 S   HC   _H41    46     1.09611   110.77091    21.35831
   60    53 S   CT   _C28    94     1.57204   107.99308   171.83370
   61    60 S   HC   _H58    95     1.09543   111.75150   -77.78533
   62    60 S   HC   _H59    96     1.09246   112.86810   163.31252
   63    60 S   HC   _H60    97     1.09503   112.51656    43.29770
   64    57 S   CT   _C16    47     1.54049   119.99701  -105.17936
   65    64 S   HC   _H46    48     1.09769   107.73040   106.07218
   66    64 S   HC   _H47    49     1.09895   105.45480  -143.59792
   67    64 S   CT   _C26    50     1.56905   119.61626   -20.49639
   68    67 S   CT   _C20    51     1.59590   109.76997  -141.26607
   69    68 S   HC   _H54    52     1.10130   102.17378    54.39017
   70    48 S   CT   _C23    70     1.55742   123.65965  -178.67884
   71    67 S   CT   _C32    90     1.55263   107.13899   100.00429
   72    71 S   HC   _H70    91     1.08609   113.01157   160.75592
   73    71 S   HC   _H71    92     1.09042   111.76705    39.27373
   74    71 S   HC   _H72    93     1.08876   113.09256   -80.64264
   75    68 S   CT   _C19    53     1.56268   115.53103   -55.85986
   76    75 S   HC   _H52    54     1.09489   110.07136    28.18403
   77    75 S   HC   _H53    55     1.10056   105.27315   139.51215
   78    70 S   CT   _C29    71     1.55698   108.28418  -118.44222
   79    78 S   HC   _H61    72     1.09202   113.57353   176.17638
   80    78 S   HC   _H62    73     1.09692   110.47641    56.77357
   81    78 S   HC   _H63    74     1.09004   113.63129   -64.49088
   82    75 S   CT   _C24    56     1.55051   119.68556  -100.55618
   83    82 S   CT   _C15    57     1.53848   112.35463   -37.88203
   84    83 S   HC   _H44    58     1.09702   109.94573   -77.29978
   85    83 S   HC   _H45    59     1.09816   110.56770   167.56449
   86    82 S   CO4  _C11    79     1.53719   112.48904    87.40672
   87    86 S   O    _O34    80     1.22506   124.69022  -124.64797
   88    82 S   CT   _C30    86     1.55061   108.75022  -156.32185
   89    88 S   HC   _H64    87     1.09607   111.36765    64.43168
   90    88 S   HC   _H65    88     1.09614   111.69737   -55.42413
   91    88 S   HC   _H66    89     1.09652   111.14802  -175.33763
   92    83 S   CT   _C18    60     1.52463   114.03498    44.97671
   93    92 S   HC   _H50    61     1.09189   109.73958    70.61472
   94    92 S   HC   _H51    62     1.09911   107.39420  -176.30843
   95    86 S   OS   _O36    81     1.36701   110.62189    56.78922
   96    68 S   CT   _C25    63     1.57178   117.13844   167.93361
   97    95 S   CT   _C33    82     1.43084   115.82056   178.40554
   98    97 S   HC   _H73    83     1.09265   107.87992   172.96726
   99    97 S   HC   _H74    84     1.09412   110.86267    54.26319
  100    97 S   HC   _H75    85     1.09377   109.94868   -68.46325
  101    96 S   CT   _C17    64     1.55581   114.53677   -30.35201
  102   101 S   HC   _H48    65     1.09764   109.99662   -93.16787
  103   101 S   HC   _H49    66     1.09864   109.98068   153.45578
  104    96 S   CT   _C31    75     1.56051   108.09796  -147.98814
  105   104 S   HC   _H67    76     1.09371   112.71334   -55.69676
  106   104 S   HC   _H68    77     1.09625   111.07321  -176.69548
  107   104 S   HC   _H69    78     1.09640   111.07512    63.86145
  108   101 S   CT   _C14    67     1.52829   116.86000    29.79033
  109   108 S   HC   _H42    68     1.09610   108.49703    77.44020
  110   108 S   HC   _H43    69     1.09887   107.31782  -168.99341
  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
  23   2   1   1  19  10   4  12   9   3  11   5   2   1   1  22
   7   4   2   1  17   4   1   1  13   6   5   5   2   1   1  14
   5   4  22  26  10  16   7   2   1   1  17   6   5   7   3   2
   1  15  15   7   6  11   3   5   2   1   1  11   4   3   4  10
   3   2   1   1   9   5   4   4   2   1   1   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    53    54    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    53    57    60    40    49    54    55    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    48    53    57    58    59    64    70    60    61    62    63    40    43    49    50    54    55    56    44  
   35    36  
   36  
    0  
   38    39    41    42    48    53    57    60    40    43    49    54    55    56    51    44    45    46    47  
   39    41    42    48    53    70    40    43    54    44  
   41    42    48    40  
   43    49    50    54    51    52    44    45    46    47    41    53  
   42    48    53    57    67   108    70    78    60  
   48    53    70  
   49    50    54    55    56    51    52    44    45    46    47  
   45    46    47    49    51  
   46    47  
   47  
    0  
   53    57    58    59    64    67    68   101   108   109   110    70    78    79    80    81    71    60    61    62    63    54  
   50    54    55    56    51    52    53  
   54    55    56    51  
   52    54  
    0  
   57    58    59    64    65    66    67   108    70    78    60    61    62    63    54    55    56  
   55    56    57    60  
   56  
    0  
   58    59    64    65    66    67    68    70    71    60    61    62    63  
   59    64    65    66    67    60  
   64    65    66    67    60  
   61    62    63    64    70  
   62    63  
   63  
    0  
   65    66    67    68    69    75    96   108    70    78    71    72    73    74  
   66    67    68    70    71  
   67    68    70    71  
   68    69    75    76    77    82    92    96   101   108   109   110    70    78    79    80    81   104    71    72    73    74  
   69    75    76    77    82    83    92    93    94    96   101   102   103   108    70    78   104   105   106   107    86    88    71    72    73    74  
   75    76    77    82    92    96   101    70   104    71  
   78    79    80    81    71    72    73    74    75    96   101   102   103   108   109   110  
   72    73    74    75    78    96   108  
   73    74  
   74  
    0  
   76    77    82    83    84    85    92    96   101   104    86    87    95    88    89    90    91  
   77    82    83    96    86    88  
   82    83    96    86    88  
   79    80    81   101   108   109   110  
   80    81   108  
   81   108  
  108  
   83    84    85    92    93    94    96    86    87    95    97    88    89    90    91  
   84    85    92    93    94    96   101   104    86    87    95    88    89    90    91  
   85    92    93    94    96    86    88  
   92    93    94    96    86    88  
   87    95    97    98    99   100    88    89    90    91    92  
   95    97    88  
   89    90    91    92    95  
   90    91  
   91  
    0  
   93    94    96   101   102   103   108   104   105   106   107  
   94    96   101   104  
   96   101   104  
   97    98    99   100  
  101   102   103   108   109   110   104   105   106   107  
   98    99   100  
   99   100  
  100  
    0  
  102   103   108   109   110   104   105   106   107  
  103   108   109   110   104  
  108   109   110   104  
  105   106   107   108  
  106   107  
  107  
    0  
  109   110  
  110  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   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   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   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    53   268.000  1.529
   33    54   268.000  1.529
   37    38   549.000  1.340
   37    40   380.000  1.444
   38    39   340.000  1.080
   38    41   380.000  1.444
   41    42   340.000  1.080
   41    48   549.000  1.340
   48    53   317.000  1.510
   48    70   317.000  1.510
   53    57   268.000  1.529
   53    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    70   268.000  1.529
   67    71   268.000  1.529
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    96   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   268.000  1.529
   82    86   317.000  1.522
   82    88   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    96   268.000  1.529
   96   101   268.000  1.529
   96   104   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108    70   268.000  1.529
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   86    87   570.000  1.229
   86    95   214.000  1.327
   95    97   320.000  1.410
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   40    43   549.000  1.340
   40    44   317.000  1.510
   43    49   320.000  1.462
   43    51   510.000  1.338
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   51    52   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    53    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    70.00000  124.00000
   33    53    48    70.00000  112.02700
   33    53    57    58.35000  112.70000
   33    53    60    58.35000  112.70000
   33    54    49    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    41    70.00000  123.01800
   37    40    43    70.00000  123.01800
   37    40    44    70.00000  124.00000
   38    41    42    35.00000  120.00000
   38    41    48    70.00000  123.01800
   41    38    39    35.00000  120.00000
   41    48    53    70.00000  124.00000
   41    48    70    70.00000  124.00000
   48    41    42    35.00000  120.00000
   48    53    57    70.00000  112.02700
   48    53    60    70.00000  112.02700
   48    70    67    70.00000  112.02700
   48    70   108    70.00000  112.02700
   48    70    78    70.00000  112.02700
   53    33    37    70.00000  112.02700
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    64    58.35000  112.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    70    58.35000  112.70000
   64    67    71    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    75    58.35000  112.70000
   67    68    96    58.35000  112.70000
   67    70   108    58.35000  112.70000
   67    70    78    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    82    58.35000  112.70000
   68    96    92    58.35000  112.70000
   68    96   101    58.35000  112.70000
   68    96   104    58.35000  112.70000
   75    68    69    37.50000  110.70000
   75    82    83    58.35000  112.70000
   75    82    86    63.00000  111.10000
   75    82    88    58.35000  112.70000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    85    37.50000  110.70000
   82    83    92    58.35000  112.70000
   82    86    87    80.00000  120.40000
   82    86    95    81.00000  111.40000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   83    92    93    37.50000  110.70000
   83    92    94    37.50000  110.70000
   83    92    96    58.35000  112.70000
   85    83    84    33.00000  107.80000
   92    83    84    37.50000  110.70000
   92    83    85    37.50000  110.70000
   92    96   101    58.35000  112.70000
   92    96   104    58.35000  112.70000
   94    92    93    33.00000  107.80000
   96    68    69    37.50000  110.70000
   96    68    75    58.35000  112.70000
   96    92    93    37.50000  110.70000
   96    92    94    37.50000  110.70000
   96   101   102    37.50000  110.70000
   96   101   103    37.50000  110.70000
   96   101   108    58.35000  112.70000
   96   104   105    37.50000  110.70000
   96   104   106    37.50000  110.70000
   96   104   107    37.50000  110.70000
  101   108   109    37.50000  110.70000
  101   108   110    37.50000  110.70000
  101   108    70    58.35000  112.70000
  103   101   102    33.00000  107.80000
  108   101   102    37.50000  110.70000
  108   101   103    37.50000  110.70000
  108    70    78    58.35000  112.70000
  110   108   109    33.00000  107.80000
   70    48    53    65.00000  117.92700
   70    67    68    58.35000  112.70000
   70   108   109    37.50000  110.70000
   70   108   110    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
  104    96   101    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   86    82    83    63.00000  111.10000
   86    95    97    83.00000  116.90000
   95    86    87    83.00000  123.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   88    82    83    58.35000  112.70000
   88    82    86    63.00000  111.10000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   71    67    68    58.35000  112.70000
   71    67    70    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
   60    53    57    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   40    37    38    70.00000  123.01800
   40    43    49    65.00000  118.96000
   40    43    51    80.00000  121.38400
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   43    49    50    80.00000  123.72100
   43    49    54    65.00000  118.62400
   43    51    52    70.00000  107.45700
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   54    33    53    58.35000  112.70000
   54    49    50    80.00000  120.40000
   56    54    55    33.00000  107.80000
   51    43    49    85.00000  116.28000
   44    40    43    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
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
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  101    96   104   106   0.15000  1.0 3.0
  101    96   104   107   0.15000  1.0 3.0
  101   108    70    48   0.34400  1.0 1.0
  101   108    70    48   0.09450 -1.0 2.0
  101   108    70    48   0.11100  1.0 3.0
  101   108   -70    67   0.56750  1.0 1.0
  101   108   -70    67  -0.07550 -1.0 2.0
  101   108   -70    67   0.20000  1.0 3.0
  101   108    70    78   0.56750  1.0 1.0
  101   108    70    78  -0.07550 -1.0 2.0
  101   108    70    78   0.20000  1.0 3.0
  102   101   108   109   0.15000  1.0 3.0
  102   101   108   110   0.15000  1.0 3.0
  102   101   108    70   0.15000  1.0 3.0
  103   101   108   109   0.15000  1.0 3.0
  103   101   108   110   0.15000  1.0 3.0
  103   101   108    70   0.15000  1.0 3.0
  108    70    78    79   0.15000  1.0 3.0
  108    70    78    80   0.15000  1.0 3.0
  108    70    78    81   0.15000  1.0 3.0
  109   108    70    48   0.15000  1.0 3.0
  109   108    70    67   0.15000  1.0 3.0
  109   108    70    78   0.15000  1.0 3.0
  110   108    70    48   0.15000  1.0 3.0
  110   108    70    67   0.15000  1.0 3.0
  110   108    70    78   0.15000  1.0 3.0
   70    48    53    33   0.46850  1.0 1.0
   70    48    53    33   0.08550 -1.0 2.0
   70    48    53    33   0.09800  1.0 3.0
   70    48   -53    57   0.46850  1.0 1.0
   70    48   -53    57   0.08550 -1.0 2.0
   70    48   -53    57   0.09800  1.0 3.0
   70    48    53    60   0.46850  1.0 1.0
   70    48    53    60   0.08550 -1.0 2.0
   70    48    53    60   0.09800  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    75   0.56750  1.0 1.0
   70    67    68    75  -0.07550 -1.0 2.0
   70    67    68    75   0.20000  1.0 3.0
   70    67   -68    96   0.56750  1.0 1.0
   70    67   -68    96  -0.07550 -1.0 2.0
   70    67   -68    96   0.20000  1.0 3.0
   70    67    71    72   0.15000  1.0 3.0
   70    67    71    73   0.15000  1.0 3.0
   70    67    71    74   0.15000  1.0 3.0
  104    96   101   102   0.15000  1.0 3.0
  104    96   101   103   0.15000  1.0 3.0
  104    96   101   108   0.56750  1.0 1.0
  104    96   101   108  -0.07550 -1.0 2.0
  104    96   101   108   0.20000  1.0 3.0
   86    82    83    84  -0.11250  1.0 3.0
   86    82    83    85  -0.11250  1.0 3.0
   86    82    83    92  -0.95700  1.0 1.0
   86    82    83    92  -0.18200 -1.0 2.0
   86    82    83    92   0.29450  1.0 3.0
   86    82    88    89  -0.11250  1.0 3.0
   86    82    88    90  -0.11250  1.0 3.0
   86    82    88    91  -0.11250  1.0 3.0
   86    95    97    98   0.08050  1.0 3.0
   86    95    97    99   0.08050  1.0 3.0
   86    95    97   100   0.08050  1.0 3.0
   87    86    95    97   3.00000 -1.0 2.0
   88    82    83    84   0.15000  1.0 3.0
   88    82    83    85   0.15000  1.0 3.0
   88    82    83    92   0.56750  1.0 1.0
   88    82    83    92  -0.07550 -1.0 2.0
   88    82    83    92   0.20000  1.0 3.0
   88    82    86    87   0.30150 -1.0 2.0
   88    82    86    95   0.36750  1.0 3.0
   71    67    68    69   0.15000  1.0 3.0
   71    67    68    75   0.56750  1.0 1.0
   71    67    68    75  -0.07550 -1.0 2.0
   71    67    68    75   0.20000  1.0 3.0
   71    67    68    96   0.56750  1.0 1.0
   71    67    68    96  -0.07550 -1.0 2.0
   71    67    68    96   0.20000  1.0 3.0
   71    67    70    48   0.34400  1.0 1.0
   71    67    70    48   0.09450 -1.0 2.0
   71    67    70    48   0.11100  1.0 3.0
   71    67    70   108   0.56750  1.0 1.0
   71    67    70   108  -0.07550 -1.0 2.0
   71    67    70   108   0.20000  1.0 3.0
   71    67    70    78   0.56750  1.0 1.0
   71    67    70    78  -0.07550 -1.0 2.0
   71    67    70    78   0.20000  1.0 3.0
   60    53    57    58   0.15000  1.0 3.0
   60    53    57    59   0.15000  1.0 3.0
   60    53    57    64   0.56750  1.0 1.0
   60    53    57    64  -0.07550 -1.0 2.0
   60    53    57    64   0.20000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    43    49    50   1.00000 -1.0 2.0
   40    43    49    54  -0.33500  1.0 1.0
   40    43    49    54   1.06600 -1.0 2.0
   40    43    49    54  -0.14000  1.0 3.0
   40    43    51    52  -0.66100  1.0 1.0
   40    43    51    52   1.20850 -1.0 2.0
   40    43    51    52  -0.36000  1.0 3.0
   43    40    44    45   0.00000  1.0 1.0
   43    40    44    46   0.00000  1.0 1.0
   43    40    44    47   0.00000  1.0 1.0
   43    49   -54    33   0.65300  1.0 1.0
   43    49   -54    33  -0.03850 -1.0 2.0
   43    49   -54    33   0.33900  1.0 3.0
   43    49    54    55   0.00000  1.0 1.0
   43    49    54    56   0.00000  1.0 1.0
   49    43    51    52   2.00000 -1.0 2.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   54    33    37    38   0.09850  1.0 1.0
   54    33    37    38   0.15250 -1.0 2.0
   54    33    37    38  -0.50650  1.0 3.0
   54    33   -37    40   0.98200  1.0 1.0
   54    33   -37    40  -0.11900 -1.0 2.0
   54    33   -37    40   0.24250  1.0 3.0
   54    33    53    48   0.34400  1.0 1.0
   54    33    53    48   0.09450 -1.0 2.0
   54    33    53    48   0.11100  1.0 3.0
   54    33    53    57   0.56750  1.0 1.0
   54    33    53    57  -0.07550 -1.0 2.0
   54    33    53    57   0.20000  1.0 3.0
   54    33    53    60   0.56750  1.0 1.0
   54    33    53    60  -0.07550 -1.0 2.0
   54    33    53    60   0.20000  1.0 3.0
   51    43    49    50  -0.11900  1.0 1.0
   51    43    49    50   0.76850 -1.0 2.0
   51    43    49    50   0.14100  1.0 3.0
   51    43    49    54   0.32450 -1.0 2.0
   51    43    49    54   0.17400  1.0 3.0
   44    40    43    49   7.00000 -1.0 2.0
   44    40    43    51   7.00000 -1.0 2.0
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    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   38    42    41    48   1.10000 -1.0 2.0
   53    70    48    41   1.10000 -1.0 2.0
   82    95    86    87  10.50000 -1.0 2.0
   37    44    40    43   1.10000 -1.0 2.0
   49    51    43    40   1.10000 -1.0 2.0
   43    54    49    50  10.50000 -1.0 2.0
END
