* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    221    364     677
    1     0 S   NP   _N1_     1    28.80087    95.10370   -20.28017
    2     1 S   H    _HN1     2     1.02972    93.27080    29.95928
    3     1 S   H    _H1_     3     1.02843    37.16496   144.13349
    4     1 S   H    _H2_     4     1.02773    80.34585   -78.09548
    5     1 S   CT   _CA1     5     1.50096   146.46540   165.84611
    6     5 S   HC   _HA1     6     1.09552   105.38303    45.49421
    7     5 S   CO3  _C1_     7     1.53875   112.13137   -75.11932
    8     7 S   O2Z  _O11     8     1.26349   114.87521   -46.20091
    9     7 S   O2Z  _O12     9     1.26219   115.03412   133.06635
   10     5 S   CT   _CB1    10     1.53114   107.47415   163.77973
   11    10 S   HC   HB11    11     1.09816   109.83629   -48.05009
   12    10 S   HC   HB12    12     1.09832   110.19494    68.61097
   13    10 S   CT   _CG1    13     1.53006   112.50770  -169.03296
   14    13 S   HC   HG11    14     1.09572   110.41434   -54.95783
   15    13 S   HC   HG12    15     1.09611   110.14933    64.19258
   16    13 S   C    _CD1    16     1.51779   112.11369  -175.17347
   17    16 S   O    _OE1    17     1.22717   123.25577    -9.23855
   18    16 S   N    _N2_    18     1.38587   111.60406   170.43723
   19    18 S   H    _HN2    19     1.01586   119.00775     3.77813
   20    18 S   CT1  _CA2    20     1.46232   123.41430  -173.42434
   21    20 S   HC   _HA2    21     1.09724   109.40696   -15.22814
   22    20 S   C    _C2_    22     1.53353   108.34919  -131.21693
   23    22 S   O    _O2_    23     1.22999   122.25109  -145.49931
   24    20 S   CT   _CB2    32     1.53814   111.07930   106.70768
   25    24 S   HC   HB21    33     1.09269   109.08076    57.10389
   26    24 S   HC   HB22    34     1.09447   109.91977   175.49611
   27    22 S   N    _N3_    24     1.38509   113.29527    41.78122
   28    27 S   H    _HN3    25     1.01540   118.86865    -0.70721
   29    24 S   S    _SG2    35     1.83077   111.25277   -65.30262
   30    27 S   CT   _CA3    26     1.45470   123.58197   175.27006
   31    30 S   HC   HA31    27     1.09513   109.37911    20.84924
   32    30 S   HC   HA32    28     1.09501   107.06407   137.87311
   33    29 S   CT   _C14    36     1.88436   104.40261   158.93677
   34    30 S   CO3  _C3_    29     1.52931   113.11095  -102.74149
   35    34 S   O2Z  _O31    30     1.26405   115.41604   -43.58376
   36    34 S   O2Z  _O32    31     1.26362   114.97701   137.37294
   37    33 S   CT   _C15    37     1.55259   110.28171    37.93251
   38    37 S   HC   _H20    38     1.09297   113.24532   -55.35590
   39    37 S   HC   _H21    39     1.09685   111.35776  -173.28943
   40    33 S   CT   _C13    55     1.61831   106.22334   156.85628
   41    40 S   HC   _H5_    56     1.09683   108.23411    35.98380
   42    37 S   CO4  _C16    40     1.50451   113.31117    70.61992
   43    42 S   O    _O33    41     1.22746   122.17261  -120.54391
   44    40 S   CT   _C12    57     1.54981   109.83599   147.90141
   45    44 S   HC   _H18    58     1.09366   111.30708  -179.25901
   46    44 S   HC   _H19    59     1.09643   109.51587    63.65495
   47    42 S   CT   _C17    42     1.51311   114.04275    61.79315
   48    47 S   HC   _H6_    43     1.10012   106.03289    53.07510
   49    44 S   CT   _C11    60     1.54286   114.62541   -60.61869
   50    49 S   HC   _H16    61     1.09636   107.14420   153.79978
   51    49 S   HC   _H17    62     1.09698   107.85315   -93.01469
   52    47 S   CT   _C22    44     1.52728   112.22548   169.37175
   53    52 S   HC   _H24    45     1.09470   112.62007    58.92182
   54    52 S   HC   _H25    46     1.09692   109.47063   -59.89287
   55    49 S   CT   _C10    63     1.54262   115.09664    29.91241
   56    52 S   CO4  _C21    47     1.51107   110.75141  -179.09172
   57    56 S   O    _O34    48     1.23233   120.89995   140.83682
   58    55 S   CT   _C6_    64     1.57772   113.63449   140.77322
   59    58 S   HC   _H4_    65     1.09988   108.21015   -41.59952
   60    55 S   CT   _C24   102     1.54937   110.01932   -96.42505
   61    60 S   HC   _H30   103     1.09408   112.42279   179.41852
   62    60 S   HC   _H31   104     1.08946   113.31061    57.46393
   63    60 S   HC   _H32   105     1.09467   111.26031   -60.85788
   64    56 S   CT   _C20    49     1.51861   118.07211   -45.09367
   65    64 S   HC   _H7_    50     1.09675   108.04803   157.70733
   66    58 S   CT   _C7_    66     1.55328   102.85661  -154.16163
   67    66 S   HC   _H12    67     1.09606   112.04548  -102.56602
   68    66 S   HC   _H13    68     1.09606   110.19144   137.79349
   69    58 S   CT   _C5_    75     1.56426   119.96546    80.58251
   70    69 S   HC   _H3_    76     1.09526   107.92559    60.34291
   71    64 S   CT   _C19    51     1.53454   112.53023    38.67995
   72    71 S   HC   _H22    52     1.09630   104.58256    76.45779
   73    71 S   HC   _H23    53     1.09711   109.62394  -168.10819
   74    66 S   CT   _C8_    69     1.53674   107.57954    17.21103
   75    74 S   HC   _H14    70     1.09509   110.10177   133.52088
   76    74 S   HC   _H15    71     1.09087   107.45712  -109.23928
   77    69 S   CT   _C4_    77     1.54279   109.77361   176.03983
   78    77 S   HC   _H9_    78     1.09465   111.52876    60.09328
   79    77 S   HC   _H10    79     1.09359   111.65628  -178.64232
   80    77 S   HC   _H11    80     1.09424   111.53888   -60.32857
   81    69 S   CT   _C25    81     1.55224   113.12255   -59.40186
   82    81 S   HC   _H8_    82     1.09214   109.05832    59.52635
   83    64 S   OH   _O35   110     1.41366   109.42269   -85.72853
   84    83 S   HO   _H26   111     0.97306   107.53021   -63.22821
   85    47 S   CT   _C18    54     1.54319   108.95449   -63.84675
   86    33 S   CT   _C9_    72     1.59810   110.84084   -83.55429
   87    81 S   CT   _C26    83     1.54056   116.45073  -179.96044
   88    87 S   HC   _H34    84     1.09684   107.30465  -179.32218
   89    87 S   HC   _H35    85     1.09550   109.98117    67.20827
   90    81 S   OH   _O38   100     1.42960   110.26441   -56.82528
   91    90 S   HO   _H45   101     0.97173   108.10574   -69.22425
   92    86 S   OH   _O36    73     1.45629   107.53219   156.58154
   93    92 S   HO   _H33    74     0.97216   108.71677   -84.32688
   94    87 S   CT   _C27    86     1.53060   113.68004   -57.59647
   95    94 S   HC   _H36    87     1.09719   109.53293    63.69741
   96    94 S   HC   _H37    88     1.09848   109.32220   -51.00042
   97    85 S   CT   _C23   106     1.55542   110.78522   -68.42448
   98    97 S   HC   _H27   107     1.09070   112.59236    53.66518
   99    97 S   HC   _H28   108     1.09100   113.31004   -64.59990
  100    97 S   HC   _H29   109     1.09564   110.95848   175.38510
  101    94 S   CT   _C28    89     1.54264   115.47724  -174.09369
  102   101 S   CT   _C29    90     1.53029   112.31252    63.80339
  103   102 S   HC   _H38    91     1.09586   110.75337    54.09845
  104   102 S   HC   _H39    92     1.09631   110.80019   171.81206
  105   102 S   HC   _H40    93     1.09389   112.25368   -67.48954
  106   101 S   CT   _C30    94     1.53024   112.12635   -61.47808
  107   106 S   HC   _H41    95     1.09590   110.75024   -54.54125
  108   106 S   HC   _H42    96     1.09624   110.83370  -172.30624
  109   106 S   HC   _H43    97     1.09410   112.13587    66.94990
  110   101 S   OH   _O37    98     1.43457   106.33248  -178.88162
  111   110 S   HO   _H44    99     0.97232   108.07042   179.47961
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  25   2   1   1  15   6   5  24   9  11   4  13   6   5  15   7
  15   5   4  10   5   4  19   9   4  23  10   8   3   2   1   8
   6  11   6   5  15   8   9   4   3   5   3   2   7   3   2   1
  10   6   2   1   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    40    86    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    85    40    41    44    55    74    86    92  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    71    85    40    41    44    45    46    49    55    58    66    74    75    76    86    92    93    60    97  
   35    36  
   36  
    0  
   38    39    42    43    47    48    52    85    40    41    44    55    74    86    92  
   39    42    43    47    40    86  
   42    43    47    40    86  
   41    44    45    46    49    50    51    55    74    86    92    97    98    99   100    42    47    48    52    64    71    72    73    85  
   44    45    46    49    86    97    47    71    85  
   43    47    48    52    53    54    56    71    85    86    97  
   47    48    52    85  
   45    46    49    50    51    55    58    86    60    97    47    71    85  
   46    49    50    51    55    85  
   49    50    51    55    85  
   48    52    53    54    56    57    64    71    72    73    85    97    98    99   100  
   52    53    54    56    71    85    97  
   50    51    55    58    59    66    74    86    92    69    60    61    62    63    85  
   51    55    58    86    60  
   55    58    86    60  
   53    54    56    57    64    65    71    85    97    83  
   54    56    57    64    85  
   56    57    64    85  
   58    59    66    67    68    74    75    76    86    92    93    69    70    77    81    60    61    62    63  
   57    64    65    71    72    73    85    83    84  
   64    65    71    83  
   59    66    67    68    74    75    76    86    92    69    70    77    78    79    80    81    82    87    90    60    61    62    63  
   66    67    68    74    86    69    70    77    81    60  
   61    62    63    66    69    74    86    92  
   62    63    86  
   63    86  
   86  
   65    71    72    73    85    97    83    84  
   71    72    73    85    83    84  
   67    68    74    75    76    86    92    69    70    77    81  
   68    74    75    76    86    69  
   74    75    76    86    69  
   70    77    78    79    80    81    82    87    88    89    94    90    91    74    86  
   77    78    79    80    81    82    87    90  
   72    73    85    97    98    99   100    83    84  
   73    85    97    83  
   85    97    83  
   75    76    86    92    93  
   76    86    92  
   86    92  
   78    79    80    81    82    87    90  
   79    80    81  
   80    81  
   81  
   82    87    88    89    94    95    96   101    90    91  
   87    88    89    94    90    91  
   84    85  
    0  
   86    97    98    99   100  
   92    93  
   88    89    94    95    96   101   102   106   110    90    91  
   89    94    95    96   101    90  
   94    95    96   101    90  
   91    94  
    0  
   93  
    0  
   95    96   101   102   103   104   105   106   107   108   109   110   111  
   96   101   102   106   110  
  101   102   106   110  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   108   109   110   111  
  103   104   105   106   107   108   109   110   111  
  104   105   106   110  
  105   106   110  
  106   110  
  107   108   109   110   111  
  108   109   110  
  109   110  
  110  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  111   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   268.000  1.529
   33    40   268.000  1.529
   33    86   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    85   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.522
   56    57   570.000  1.229
   56    64   317.000  1.522
   64    65   340.000  1.090
   64    71   268.000  1.529
   64    83   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    85   268.000  1.529
   85    40   268.000  1.529
   85    97   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    58   268.000  1.529
   55    86   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    66   268.000  1.529
   58    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    86   268.000  1.529
   86    92   320.000  1.410
   92    93   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    87   268.000  1.529
   81    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   268.000  1.529
  101   106   268.000  1.529
  101   110   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   553.000  0.945
   90    91   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   83    84   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    86    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    40    85    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    86    55    58.35000  112.70000
   33    86    74    58.35000  112.70000
   33    86    92    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    63.00000  111.10000
   42    47    85    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    63.00000  111.10000
   47    85    71    58.35000  112.70000
   47    85    40    58.35000  112.70000
   47    85    97    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    56    57    80.00000  120.40000
   52    56    64    70.00000  116.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    71    63.00000  111.10000
   56    64    83    90.00000  109.61100
   64    56    57    80.00000  120.40000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    85    58.35000  112.70000
   64    83    84    55.00000  108.50000
   71    64    65    37.50000  110.70000
   71    85    40    58.35000  112.70000
   71    85    97    58.35000  112.70000
   73    71    72    33.00000  107.80000
   85    47    48    37.50000  110.70000
   85    47    52    58.35000  112.70000
   85    71    72    37.50000  110.70000
   85    71    73    37.50000  110.70000
   85    40    41    37.50000  110.70000
   85    40    44    58.35000  112.70000
   85    97    98    37.50000  110.70000
   85    97    99    37.50000  110.70000
   85    97   100    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    55    86    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    66    58.35000  112.70000
   55    58    69    58.35000  112.70000
   55    86    74    58.35000  112.70000
   55    86    92    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    74    58.35000  112.70000
   58    69    70    37.50000  110.70000
   58    69    77    58.35000  112.70000
   58    69    81    58.35000  112.70000
   66    58    59    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    86    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    86    92    50.00000  109.50000
   76    74    75    33.00000  107.80000
   86    33    37    58.35000  112.70000
   86    33    40    58.35000  112.70000
   86    55    58    58.35000  112.70000
   86    74    75    37.50000  110.70000
   86    74    76    37.50000  110.70000
   86    92    93    55.00000  108.50000
   69    58    59    37.50000  110.70000
   69    58    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    87    58.35000  112.70000
   69    81    90    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    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    94    58.35000  112.70000
   81    90    91    55.00000  108.50000
   87    81    82    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94   101    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94   101   102    58.35000  112.70000
   94   101   106    58.35000  112.70000
   94   101   110    50.00000  109.50000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   102   103    37.50000  110.70000
  101   102   104    37.50000  110.70000
  101   102   105    37.50000  110.70000
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    37.50000  110.70000
  101   110   111    55.00000  108.50000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   101   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   101   102    50.00000  109.50000
  110   101   106    50.00000  109.50000
   90    81    82    35.00000  109.50000
   90    81    87    50.00000  109.50000
   60    55    58    58.35000  112.70000
   60    55    86    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
   97    85    40    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   83    64    65    35.00000  109.50000
   83    64    71    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
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   66    58    69    77   0.56750  1.0 1.0
   66    58    69    77  -0.07550 -1.0 2.0
   66    58    69    77   0.20000  1.0 3.0
   66    58    69    81   0.56750  1.0 1.0
   66    58    69    81  -0.07550 -1.0 2.0
   66    58    69    81   0.20000  1.0 3.0
   66    74    86    33   0.56750  1.0 1.0
   66    74    86    33  -0.07550 -1.0 2.0
   66    74    86    33   0.20000  1.0 3.0
   66    74   -86    55   0.56750  1.0 1.0
   66    74   -86    55  -0.07550 -1.0 2.0
   66    74   -86    55   0.20000  1.0 3.0
   66    74    86    92   0.86500  1.0 1.0
   66    74    86    92  -0.17500 -1.0 2.0
   66    74    86    92   0.20800  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    86   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    86   0.15000  1.0 3.0
   74    86    92    93  -0.11600  1.0 1.0
   74    86    92    93  -0.09450 -1.0 2.0
   74    86    92    93   0.21250  1.0 3.0
   75    74    86    33   0.15000  1.0 3.0
   75    74    86    55   0.15000  1.0 3.0
   75    74    86    92   0.23400  1.0 3.0
   76    74    86    33   0.15000  1.0 3.0
   76    74    86    55   0.15000  1.0 3.0
   76    74    86    92   0.23400  1.0 3.0
   86    33    37    38   0.15000  1.0 3.0
   86    33    37    39   0.15000  1.0 3.0
   86    33    37    42  -0.95700  1.0 1.0
   86    33    37    42  -0.18200 -1.0 2.0
   86    33    37    42   0.29450  1.0 3.0
   86    33    40    85   0.56750  1.0 1.0
   86    33    40    85  -0.07550 -1.0 2.0
   86    33    40    85   0.20000  1.0 3.0
   86    33    40    41   0.15000  1.0 3.0
   86    33   -40    44   0.56750  1.0 1.0
   86    33   -40    44  -0.07550 -1.0 2.0
   86    33   -40    44   0.20000  1.0 3.0
   86    55    58    59   0.15000  1.0 3.0
   86    55   -58    66   0.56750  1.0 1.0
   86    55   -58    66  -0.07550 -1.0 2.0
   86    55   -58    66   0.20000  1.0 3.0
   86    55    58    69   0.56750  1.0 1.0
   86    55    58    69  -0.07550 -1.0 2.0
   86    55    58    69   0.20000  1.0 3.0
   86    55    60    61   0.15000  1.0 3.0
   86    55    60    62   0.15000  1.0 3.0
   86    55    60    63   0.15000  1.0 3.0
   69    58    66    67   0.15000  1.0 3.0
   69    58    66    68   0.15000  1.0 3.0
   69    58    66    74   0.56750  1.0 1.0
   69    58    66    74  -0.07550 -1.0 2.0
   69    58    66    74   0.20000  1.0 3.0
   69    81    87    88   0.15000  1.0 3.0
   69    81    87    89   0.15000  1.0 3.0
   69    81    87    94   0.56750  1.0 1.0
   69    81    87    94  -0.07550 -1.0 2.0
   69    81    87    94   0.20000  1.0 3.0
   69    81    90    91  -0.11600  1.0 1.0
   69    81    90    91  -0.09450 -1.0 2.0
   69    81    90    91   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    87   0.15000  1.0 3.0
   70    69    81    90   0.23400  1.0 3.0
   77    69    81    82   0.15000  1.0 3.0
   77    69    81    87   0.56750  1.0 1.0
   77    69    81    87  -0.07550 -1.0 2.0
   77    69    81    87   0.20000  1.0 3.0
   77    69    81    90   0.86500  1.0 1.0
   77    69    81    90  -0.17500 -1.0 2.0
   77    69    81    90   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    87    94    95   0.15000  1.0 3.0
   81    87    94    96   0.15000  1.0 3.0
   81    87    94   101   0.56750  1.0 1.0
   81    87    94   101  -0.07550 -1.0 2.0
   81    87    94   101   0.20000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    94   0.15000  1.0 3.0
   82    81    90    91   0.19450  1.0 3.0
   87    81    90    91  -0.11600  1.0 1.0
   87    81    90    91  -0.09450 -1.0 2.0
   87    81    90    91   0.21250  1.0 3.0
   87    94   101   102   0.56750  1.0 1.0
   87    94   101   102  -0.07550 -1.0 2.0
   87    94   101   102   0.20000  1.0 3.0
   87    94   101   106   0.56750  1.0 1.0
   87    94   101   106  -0.07550 -1.0 2.0
   87    94   101   106   0.20000  1.0 3.0
   87    94   101   110   0.86500  1.0 1.0
   87    94   101   110  -0.17500 -1.0 2.0
   87    94   101   110   0.20800  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94   101   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94   101   0.15000  1.0 3.0
   94   101   102   103   0.15000  1.0 3.0
   94   101   102   104   0.15000  1.0 3.0
   94   101   102   105   0.15000  1.0 3.0
   94   101   106   107   0.15000  1.0 3.0
   94   101   106   108   0.15000  1.0 3.0
   94   101   106   109   0.15000  1.0 3.0
   94   101   110   111  -0.11600  1.0 1.0
   94   101   110   111  -0.09450 -1.0 2.0
   94   101   110   111   0.21250  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   106   0.15000  1.0 3.0
   95    94   101   110   0.23400  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   106   0.15000  1.0 3.0
   96    94   101   110   0.23400  1.0 3.0
  102   101   106   107   0.15000  1.0 3.0
  102   101   106   108   0.15000  1.0 3.0
  102   101   106   109   0.15000  1.0 3.0
  102   101   110   111  -0.11600  1.0 1.0
  102   101   110   111  -0.09450 -1.0 2.0
  102   101   110   111   0.21250  1.0 3.0
  106   101   102   103   0.15000  1.0 3.0
  106   101   102   104   0.15000  1.0 3.0
  106   101   102   105   0.15000  1.0 3.0
  106   101   110   111  -0.11600  1.0 1.0
  106   101   110   111  -0.09450 -1.0 2.0
  106   101   110   111   0.21250  1.0 3.0
  110   101   102   103   0.23400  1.0 3.0
  110   101   102   104   0.23400  1.0 3.0
  110   101   102   105   0.23400  1.0 3.0
  110   101   106   107   0.23400  1.0 3.0
  110   101   106   108   0.23400  1.0 3.0
  110   101   106   109   0.23400  1.0 3.0
   90    81    87    88   0.23400  1.0 3.0
   90    81    87    89   0.23400  1.0 3.0
   90    81    87    94   0.86500  1.0 1.0
   90    81    87    94  -0.17500 -1.0 2.0
   90    81    87    94   0.20800  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    66   0.56750  1.0 1.0
   60    55    58    66  -0.07550 -1.0 2.0
   60    55    58    66   0.20000  1.0 3.0
   60    55    58    69   0.56750  1.0 1.0
   60    55    58    69  -0.07550 -1.0 2.0
   60    55    58    69   0.20000  1.0 3.0
   60    55    86    33   0.56750  1.0 1.0
   60    55    86    33  -0.07550 -1.0 2.0
   60    55    86    33   0.20000  1.0 3.0
   60    55    86    74   0.56750  1.0 1.0
   60    55    86    74  -0.07550 -1.0 2.0
   60    55    86    74   0.20000  1.0 3.0
   60    55    86    92   0.86500  1.0 1.0
   60    55    86    92  -0.17500 -1.0 2.0
   60    55    86    92   0.20800  1.0 3.0
   97    85    40    33   0.56750  1.0 1.0
   97    85    40    33  -0.07550 -1.0 2.0
   97    85    40    33   0.20000  1.0 3.0
   97    85    40    41   0.15000  1.0 3.0
   97    85    40    44   0.56750  1.0 1.0
   97    85    40    44  -0.07550 -1.0 2.0
   97    85    40    44   0.20000  1.0 3.0
   83    64    71    72   0.23400  1.0 3.0
   83    64    71    73   0.23400  1.0 3.0
   83    64    71    85   0.86500  1.0 1.0
   83    64    71    85  -0.17500 -1.0 2.0
   83    64    71    85   0.20800  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
   37    47    42    43  10.50000 -1.0 2.0
   52    64    56    57  10.50000 -1.0 2.0
END
