* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    217    357     663
    1     0 S   NP   _N1_     1    28.91822    97.74562   -20.30236
    2     1 S   H    _HN1     2     1.02843    49.90251   170.81939
    3     1 S   H    _H1_     3     1.02778    75.87485   -60.38676
    4     1 S   H    _H2_     4     1.02949    82.19915    50.90340
    5     1 S   CT   _CA1     5     1.50226   160.25414  -177.75545
    6     5 S   HC   _HA1     6     1.09573   105.07146    49.96924
    7     5 S   CO3  _C1_     7     1.53961   112.60248   -69.75532
    8     7 S   O2Z  _O11     8     1.26411   115.12559   -32.22197
    9     7 S   O2Z  _O12     9     1.26226   115.08564   146.85682
   10     5 S   CT   _CB1    10     1.53203   107.35138   167.87252
   11    10 S   HC   HB11    11     1.09814   109.49155   -47.25599
   12    10 S   HC   HB12    12     1.09793   110.19482    69.29704
   13    10 S   CT   _CG1    13     1.52999   112.79583  -168.29341
   14    13 S   HC   HG11    14     1.09538   110.29985   -62.62748
   15    13 S   HC   HG12    15     1.09647   110.02335    56.40169
   16    13 S   C    _CD1    16     1.51988   112.69891   176.75351
   17    16 S   O    _OE1    17     1.22675   123.35113    -7.65604
   18    16 S   N    _N2_    18     1.38547   111.37313   172.68088
   19    18 S   H    _HN2    19     1.01598   118.72389     0.86366
   20    18 S   CT1  _CA2    20     1.46323   124.12720  -178.94038
   21    20 S   HC   _HA2    21     1.09731   109.39029   -15.13670
   22    20 S   C    _C2_    22     1.53550   107.80069  -130.43692
   23    22 S   O    _O2_    23     1.22983   122.44992  -145.74754
   24    20 S   CT   _CB2    32     1.53686   111.07824   107.48548
   25    24 S   HC   HB21    33     1.09376   109.33843    47.66139
   26    24 S   HC   HB22    34     1.09480   110.45913   166.37232
   27    22 S   N    _N3_    24     1.38582   113.26222    41.72417
   28    27 S   H    _HN3    25     1.01525   118.86287    -0.67984
   29    24 S   S    _SG2    35     1.83382   111.19375   -75.43073
   30    27 S   CT   _CA3    26     1.45460   123.55922   175.14183
   31    30 S   HC   HA31    27     1.09516   109.35194    21.72374
   32    30 S   HC   HA32    28     1.09499   107.07250   138.75349
   33    29 S   CT   _C14    36     1.87438   103.89262   152.14902
   34    30 S   CO3  _C3_    29     1.52930   113.12154  -101.83925
   35    34 S   O2Z  _O31    30     1.26402   115.43032   -43.11679
   36    34 S   O2Z  _O32    31     1.26359   114.96977   137.84839
   37    33 S   CM   _C15    37     1.51563   107.10563    36.26317
   38    37 S   HC   _H19    38     1.08977   116.80235   -97.90733
   39    33 S   CT   _C13    55     1.57673   112.80713   151.99632
   40    39 S   HC   _H5_    56     1.10236   104.63192  -176.30848
   41    37 S   CMA  _C16    39     1.34924   125.70362    81.47050
   42    41 S   OM   _O34    40     1.26156   127.61543  -178.77251
   43    39 S   CT   _C12    57     1.55223   112.88860    72.04943
   44    43 S   HC   _H17    58     1.09448   110.39329   -68.78506
   45    43 S   HC   _H18    59     1.09567   110.10119   174.77719
   46    41 S   CT   _C17    41     1.55518   118.03867    -3.93492
   47    46 S   HC   _H6_    42     1.10268   103.79374   -82.40221
   48    43 S   CT   _C11    60     1.54168   113.39096    54.63295
   49    48 S   HC   _H15    61     1.09698   108.94504    67.07449
   50    48 S   HC   _H16    62     1.09394   107.88724  -178.31949
   51    46 S   CT   _C22    43     1.55656   115.83078   163.86684
   52    51 S   HC   _H24    44     1.09596   110.51561   171.00949
   53    51 S   HC   _H25    45     1.09560   111.94445    52.52151
   54    48 S   CT   _C10    63     1.54050   111.99192   -55.63129
   55    51 S   CO4  _C21    46     1.51296   110.76638   -69.69059
   56    55 S   O    _O33    47     1.23027   121.87872   148.53709
   57    54 S   CT   _C6_    64     1.57468   115.73887   165.27780
   58    57 S   HC   _H4_    65     1.09833   107.65328   -41.95316
   59    54 S   CT   _C24   102     1.54868   108.42502   -72.36333
   60    59 S   HC   _H29   103     1.09182   112.31935   176.21524
   61    59 S   HC   _H30   104     1.08930   113.62517    53.16101
   62    59 S   HC   _H31   105     1.09472   111.17669   -63.90506
   63    55 S   CT   _C20    48     1.50838   116.50756   -32.71071
   64    63 S   HC   _H22    49     1.09357   109.35952    94.01460
   65    63 S   HC   _H23    50     1.09505   108.48796  -147.61309
   66    57 S   CT   _C7_    66     1.55721   102.50947  -155.29464
   67    66 S   HC   _H11    67     1.09588   111.94682  -101.06940
   68    66 S   HC   _H12    68     1.09601   110.10710   139.36028
   69    57 S   CT   _C5_    75     1.55721   119.96252    79.95499
   70    69 S   HC   _H3_    76     1.09613   108.48685    55.31421
   71    63 S   CT   _C19    51     1.52355   108.63835   -28.51391
   72    71 S   HC   _H20    52     1.09519   108.97944  -172.10462
   73    71 S   HC   _H21    53     1.09929   107.89753   -58.26866
   74    66 S   CT   _C8_    69     1.54008   107.81824    18.62967
   75    74 S   HC   _H13    70     1.09497   110.05264   133.01606
   76    74 S   HC   _H14    71     1.09099   108.61400  -109.04292
   77    69 S   CT   _C4_    77     1.53554   112.21351   -61.85445
   78    77 S   HC   _H8_    78     1.09476   111.50120   -48.91024
   79    77 S   HC   _H9_    79     1.09215   111.21645    71.95165
   80    77 S   HC   _H10    80     1.09490   111.63394  -169.77951
   81    69 S   CT   _C25    81     1.55854   113.02395   172.06934
   82    81 S   HC   _H7_    82     1.09490   109.95641   -54.72935
   83    46 S   CT   _C18    54     1.59318   115.09517    34.19851
   84    33 S   CT   _C9_    72     1.57855   112.59211   -87.55663
   85    81 S   CT   _C26    83     1.53758   114.51096    68.19131
   86    85 S   HC   _H33    84     1.09504   109.40192    64.74043
   87    85 S   HC   _H34    85     1.09310   109.63597   -53.60395
   88    81 S   OH   _O37   100     1.43192   108.85800  -170.28936
   89    88 S   HO   _H44   101     0.97620   107.08769    60.89717
   90    84 S   OH   _O35    73     1.46167   106.17680   174.24602
   91    90 S   HO   _H32    74     0.97177   108.57417   -69.28927
   92    85 S   CT   _C27    86     1.53618   111.76751  -175.01241
   93    92 S   HC   _H35    87     1.09877   109.13756    55.43964
   94    92 S   HC   _H36    88     1.09836   109.57730   -58.90716
   95    83 S   CT   _C23   106     1.55255   108.48018  -140.85570
   96    95 S   HC   _H26   107     1.09126   112.54107    66.50587
   97    95 S   HC   _H27   108     1.09603   111.13713   -53.07759
   98    95 S   HC   _H28   109     1.09527   111.78289  -171.94860
   99    92 S   CT   _C28    89     1.54229   115.47753   178.18404
  100    99 S   CT   _C29    90     1.53017   112.22548    62.24293
  101   100 S   HC   _H37    91     1.09585   110.75897    54.40742
  102   100 S   HC   _H38    92     1.09627   110.82336   172.15973
  103   100 S   HC   _H39    93     1.09410   112.15467   -67.11946
  104    99 S   CT   _C30    94     1.53039   112.25786   -63.02156
  105   104 S   HC   _H40    95     1.09586   110.76220   -54.16345
  106   104 S   HC   _H41    96     1.09629   110.80763  -171.89640
  107   104 S   HC   _H42    97     1.09401   112.21247    67.39525
  108    99 S   OH   _O36    98     1.43458   106.25914   179.64778
  109   108 S   HO   _H43    99     0.97239   108.07340  -179.77619
  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
  24   2   1   1  14   5  24   9  11   4  13   6   5  15   7  15
   5   4  10   5   4  19   8   4  23  10   8   3   2   1   7   5
   4  11   6   5  15   8   7   3   2   5   3   2   7   3   2   1
  10   6   5   2  11   6   5   2   1   1   1  13   5   4   3   2
   1   1  10   9   4   3   2   5   3   2   1   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    39    84    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    83    39    40    43    54    74    84    90  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    71    83    39    40    43    44    45    48    54    57    66    74    75    76    84    90    91    59    95  
   35    36  
   36  
    0  
   38    41    42    46    47    51    83    39    40    43    54    74    84    90  
   41    42    46    39    84  
   40    43    44    45    48    49    50    54    74    84    90    95    96    97    98    41    46    47    51    63    71    72    73    83  
   43    44    45    48    84    95    46    71    83  
   42    46    47    51    52    53    55    71    83    84    95  
   46    47    51    83  
   44    45    48    49    50    54    57    84    59    95    46    71    83  
   45    48    49    50    54    83  
   48    49    50    54    83  
   47    51    52    53    55    56    63    71    72    73    83    95    96    97    98  
   51    52    53    55    71    83    95  
   49    50    54    57    58    66    74    84    90    69    59    60    61    62    83  
   50    54    57    84    59  
   54    57    84    59  
   52    53    55    56    63    64    65    71    83    95  
   53    55    56    63    83  
   55    56    63    83  
   57    58    66    67    68    74    75    76    84    90    91    69    70    77    81    59    60    61    62  
   56    63    64    65    71    72    73    83  
   63    64    65    71  
   58    66    67    68    74    75    76    84    90    69    70    77    78    79    80    81    82    85    88    59    60    61    62  
   66    67    68    74    84    69    70    77    81    59  
   60    61    62    66    69    74    84    90  
   61    62    84  
   62    84  
   84  
   64    65    71    72    73    83    95  
   65    71    72    73    83  
   71    72    73    83  
   67    68    74    75    76    84    90    69    70    77    81  
   68    74    75    76    84    69  
   74    75    76    84    69  
   70    77    78    79    80    81    82    85    86    87    92    88    89    74    84  
   77    78    79    80    81    82    85    88  
   72    73    83    95    96    97    98  
   73    83    95  
   83    95  
   75    76    84    90    91  
   76    84    90  
   84    90  
   78    79    80    81    82    85    88  
   79    80    81  
   80    81  
   81  
   82    85    86    87    92    93    94    99    88    89  
   85    86    87    92    88    89  
   84    95    96    97    98  
   90    91  
   86    87    92    93    94    99   100   104   108    88    89  
   87    92    93    94    99    88  
   92    93    94    99    88  
   89    92  
    0  
   91  
    0  
   93    94    99   100   101   102   103   104   105   106   107   108   109  
   94    99   100   104   108  
   99   100   104   108  
   96    97    98  
   97    98  
   98  
    0  
  100   101   102   103   104   105   106   107   108   109  
  101   102   103   104   105   106   107   108   109  
  102   103   104   108  
  103   104   108  
  104   108  
  105   106   107   108   109  
  106   107   108  
  107   108  
  108  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    39   268.000  1.529
   33    84   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    83   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.522
   55    56   570.000  1.229
   55    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    83   268.000  1.529
   83    39   268.000  1.529
   83    95   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    84   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    84   268.000  1.529
   84    90   320.000  1.410
   90    91   553.000  0.945
   69    70   340.000  1.090
   69    77   268.000  1.529
   69    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    85   268.000  1.529
   81    88   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   268.000  1.529
   99   100   268.000  1.529
   99   104   268.000  1.529
   99   108   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   553.000  0.945
   88    89   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   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    39    75.00000  111.63000
   29    33    84    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    83    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    84    54    58.35000  112.70000
   33    84    74    58.35000  112.70000
   33    84    90    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    83    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    63.00000  111.10000
   46    83    71    58.35000  112.70000
   46    83    39    58.35000  112.70000
   46    83    95    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    80.00000  120.40000
   51    55    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    71    63.00000  111.10000
   63    55    56    80.00000  120.40000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    83    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    83    39    58.35000  112.70000
   71    83    95    58.35000  112.70000
   73    71    72    33.00000  107.80000
   83    46    47    37.50000  110.70000
   83    46    51    58.35000  112.70000
   83    71    72    37.50000  110.70000
   83    71    73    37.50000  110.70000
   83    39    40    37.50000  110.70000
   83    39    43    58.35000  112.70000
   83    95    96    37.50000  110.70000
   83    95    97    37.50000  110.70000
   83    95    98    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    84    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    66    58.35000  112.70000
   54    57    69    58.35000  112.70000
   54    84    74    58.35000  112.70000
   54    84    90    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    74    58.35000  112.70000
   57    69    70    37.50000  110.70000
   57    69    77    58.35000  112.70000
   57    69    81    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    84    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    84    90    50.00000  109.50000
   76    74    75    33.00000  107.80000
   84    33    37    70.00000  112.02700
   84    33    39    58.35000  112.70000
   84    54    57    58.35000  112.70000
   84    74    75    37.50000  110.70000
   84    74    76    37.50000  110.70000
   84    90    91    55.00000  108.50000
   69    57    58    37.50000  110.70000
   69    57    66    58.35000  112.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   69    81    82    37.50000  110.70000
   69    81    85    58.35000  112.70000
   69    81    88    50.00000  109.50000
   77    69    70    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    69    70    37.50000  110.70000
   81    69    77    58.35000  112.70000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    92    58.35000  112.70000
   81    88    89    55.00000  108.50000
   85    81    82    37.50000  110.70000
   85    92    93    37.50000  110.70000
   85    92    94    37.50000  110.70000
   85    92    99    58.35000  112.70000
   87    85    86    33.00000  107.80000
   92    85    86    37.50000  110.70000
   92    85    87    37.50000  110.70000
   92    99   100    58.35000  112.70000
   92    99   104    58.35000  112.70000
   92    99   108    50.00000  109.50000
   94    92    93    33.00000  107.80000
   99    92    93    37.50000  110.70000
   99    92    94    37.50000  110.70000
   99   100   101    37.50000  110.70000
   99   100   102    37.50000  110.70000
   99   100   103    37.50000  110.70000
   99   104   105    37.50000  110.70000
   99   104   106    37.50000  110.70000
   99   104   107    37.50000  110.70000
   99   108   109    55.00000  108.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    99   100    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
  108    99   100    50.00000  109.50000
  108    99   104    50.00000  109.50000
   88    81    82    35.00000  109.50000
   88    81    85    50.00000  109.50000
   59    54    57    58.35000  112.70000
   59    54    84    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   95    83    39    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    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
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   68    66    74    76   0.15000  1.0 3.0
   68    66    74    84   0.15000  1.0 3.0
   74    84    90    91  -0.11600  1.0 1.0
   74    84    90    91  -0.09450 -1.0 2.0
   74    84    90    91   0.21250  1.0 3.0
   75    74    84    33   0.15000  1.0 3.0
   75    74    84    54   0.15000  1.0 3.0
   75    74    84    90   0.23400  1.0 3.0
   76    74    84    33   0.15000  1.0 3.0
   76    74    84    54   0.15000  1.0 3.0
   76    74    84    90   0.23400  1.0 3.0
   84    33    37    38   0.00000  1.0 1.0
   84    33    37    41   0.09850  1.0 1.0
   84    33    37    41   0.15250 -1.0 2.0
   84    33    37    41  -0.50650  1.0 3.0
   84    33    39    83   0.56750  1.0 1.0
   84    33    39    83  -0.07550 -1.0 2.0
   84    33    39    83   0.20000  1.0 3.0
   84    33    39    40   0.15000  1.0 3.0
   84    33   -39    43   0.56750  1.0 1.0
   84    33   -39    43  -0.07550 -1.0 2.0
   84    33   -39    43   0.20000  1.0 3.0
   84    54    57    58   0.15000  1.0 3.0
   84    54   -57    66   0.56750  1.0 1.0
   84    54   -57    66  -0.07550 -1.0 2.0
   84    54   -57    66   0.20000  1.0 3.0
   84    54    57    69   0.56750  1.0 1.0
   84    54    57    69  -0.07550 -1.0 2.0
   84    54    57    69   0.20000  1.0 3.0
   84    54    59    60   0.15000  1.0 3.0
   84    54    59    61   0.15000  1.0 3.0
   84    54    59    62   0.15000  1.0 3.0
   69    57    66    67   0.15000  1.0 3.0
   69    57    66    68   0.15000  1.0 3.0
   69    57    66    74   0.56750  1.0 1.0
   69    57    66    74  -0.07550 -1.0 2.0
   69    57    66    74   0.20000  1.0 3.0
   69    81    85    86   0.15000  1.0 3.0
   69    81    85    87   0.15000  1.0 3.0
   69    81    85    92   0.56750  1.0 1.0
   69    81    85    92  -0.07550 -1.0 2.0
   69    81    85    92   0.20000  1.0 3.0
   69    81    88    89  -0.11600  1.0 1.0
   69    81    88    89  -0.09450 -1.0 2.0
   69    81    88    89   0.21250  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   70    69    81    82   0.15000  1.0 3.0
   70    69    81    85   0.15000  1.0 3.0
   70    69    81    88   0.23400  1.0 3.0
   77    69    81    82   0.15000  1.0 3.0
   77    69    81    85   0.56750  1.0 1.0
   77    69    81    85  -0.07550 -1.0 2.0
   77    69    81    85   0.20000  1.0 3.0
   77    69    81    88   0.86500  1.0 1.0
   77    69    81    88  -0.17500 -1.0 2.0
   77    69    81    88   0.20800  1.0 3.0
   81    69    77    78   0.15000  1.0 3.0
   81    69    77    79   0.15000  1.0 3.0
   81    69    77    80   0.15000  1.0 3.0
   81    85    92    93   0.15000  1.0 3.0
   81    85    92    94   0.15000  1.0 3.0
   81    85    92    99   0.56750  1.0 1.0
   81    85    92    99  -0.07550 -1.0 2.0
   81    85    92    99   0.20000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    87   0.15000  1.0 3.0
   82    81    85    92   0.15000  1.0 3.0
   82    81    88    89   0.19450  1.0 3.0
   85    81    88    89  -0.11600  1.0 1.0
   85    81    88    89  -0.09450 -1.0 2.0
   85    81    88    89   0.21250  1.0 3.0
   85    92    99   100   0.56750  1.0 1.0
   85    92    99   100  -0.07550 -1.0 2.0
   85    92    99   100   0.20000  1.0 3.0
   85    92    99   104   0.56750  1.0 1.0
   85    92    99   104  -0.07550 -1.0 2.0
   85    92    99   104   0.20000  1.0 3.0
   85    92    99   108   0.86500  1.0 1.0
   85    92    99   108  -0.17500 -1.0 2.0
   85    92    99   108   0.20800  1.0 3.0
   86    85    92    93   0.15000  1.0 3.0
   86    85    92    94   0.15000  1.0 3.0
   86    85    92    99   0.15000  1.0 3.0
   87    85    92    93   0.15000  1.0 3.0
   87    85    92    94   0.15000  1.0 3.0
   87    85    92    99   0.15000  1.0 3.0
   92    99   100   101   0.15000  1.0 3.0
   92    99   100   102   0.15000  1.0 3.0
   92    99   100   103   0.15000  1.0 3.0
   92    99   104   105   0.15000  1.0 3.0
   92    99   104   106   0.15000  1.0 3.0
   92    99   104   107   0.15000  1.0 3.0
   92    99   108   109  -0.11600  1.0 1.0
   92    99   108   109  -0.09450 -1.0 2.0
   92    99   108   109   0.21250  1.0 3.0
   93    92    99   100   0.15000  1.0 3.0
   93    92    99   104   0.15000  1.0 3.0
   93    92    99   108   0.23400  1.0 3.0
   94    92    99   100   0.15000  1.0 3.0
   94    92    99   104   0.15000  1.0 3.0
   94    92    99   108   0.23400  1.0 3.0
  100    99   104   105   0.15000  1.0 3.0
  100    99   104   106   0.15000  1.0 3.0
  100    99   104   107   0.15000  1.0 3.0
  100    99   108   109  -0.11600  1.0 1.0
  100    99   108   109  -0.09450 -1.0 2.0
  100    99   108   109   0.21250  1.0 3.0
  104    99   100   101   0.15000  1.0 3.0
  104    99   100   102   0.15000  1.0 3.0
  104    99   100   103   0.15000  1.0 3.0
  104    99   108   109  -0.11600  1.0 1.0
  104    99   108   109  -0.09450 -1.0 2.0
  104    99   108   109   0.21250  1.0 3.0
  108    99   100   101   0.23400  1.0 3.0
  108    99   100   102   0.23400  1.0 3.0
  108    99   100   103   0.23400  1.0 3.0
  108    99   104   105   0.23400  1.0 3.0
  108    99   104   106   0.23400  1.0 3.0
  108    99   104   107   0.23400  1.0 3.0
   88    81    85    86   0.23400  1.0 3.0
   88    81    85    87   0.23400  1.0 3.0
   88    81    85    92   0.86500  1.0 1.0
   88    81    85    92  -0.17500 -1.0 2.0
   88    81    85    92   0.20800  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    66   0.56750  1.0 1.0
   59    54    57    66  -0.07550 -1.0 2.0
   59    54    57    66   0.20000  1.0 3.0
   59    54    57    69   0.56750  1.0 1.0
   59    54    57    69  -0.07550 -1.0 2.0
   59    54    57    69   0.20000  1.0 3.0
   59    54    84    33   0.56750  1.0 1.0
   59    54    84    33  -0.07550 -1.0 2.0
   59    54    84    33   0.20000  1.0 3.0
   59    54    84    74   0.56750  1.0 1.0
   59    54    84    74  -0.07550 -1.0 2.0
   59    54    84    74   0.20000  1.0 3.0
   59    54    84    90   0.86500  1.0 1.0
   59    54    84    90  -0.17500 -1.0 2.0
   59    54    84    90   0.20800  1.0 3.0
   95    83    39    33   0.56750  1.0 1.0
   95    83    39    33  -0.07550 -1.0 2.0
   95    83    39    33   0.20000  1.0 3.0
   95    83    39    40   0.15000  1.0 3.0
   95    83    39    43   0.56750  1.0 1.0
   95    83    39    43  -0.07550 -1.0 2.0
   95    83    39    43   0.20000  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
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   51    63    55    56  10.50000 -1.0 2.0
END
