* LIGAND DATABASE FILE (OPLS2005)
*
001     115   117    213    331     628
    1     0 S   NP   _N1_     1    28.67224    96.46547   -21.09861
    2     1 S   H    _HN1     2     1.02966    80.91480    40.73058
    3     1 S   H    _H1_     3     1.02829    42.57400   168.45252
    4     1 S   H    _H2_     4     1.02772    85.51254   -68.69170
    5     1 S   CT   _CA1     5     1.50188   153.01184   158.12320
    6     5 S   HC   _HA1     6     1.09573   105.17003    66.62820
    7     5 S   CO3  _C1_     7     1.53795   112.40994   -53.39999
    8     7 S   O2Z  _O11     8     1.26362   114.99595   -39.72433
    9     7 S   O2Z  _O12     9     1.26236   115.00107   139.26057
   10     5 S   CT   _CB1    10     1.53089   107.34179  -175.48798
   11    10 S   HC   HB11    11     1.09820   109.26763   -49.78898
   12    10 S   HC   HB12    12     1.09825   110.39128    66.75235
   13    10 S   CT   _CG1    13     1.52995   112.79132  -170.93824
   14    13 S   HC   HG11    14     1.09604   110.29267   -64.71662
   15    13 S   HC   HG12    15     1.09643   110.10119    54.51018
   16    13 S   C    _CD1    16     1.51867   112.31355   174.73006
   17    16 S   O    _OE1    17     1.22731   123.25637    -6.11997
   18    16 S   N    _N2_    18     1.38583   111.60263   174.31211
   19    18 S   H    _HN2    19     1.01578   119.06014     0.94460
   20    18 S   CT1  _CA2    20     1.46337   123.53066  -176.93887
   21    20 S   HC   _HA2    21     1.09738   109.43170    -9.58314
   22    20 S   C    _C2_    22     1.53405   108.68748  -125.44020
   23    22 S   O    _O2_    23     1.23033   122.24246  -147.70484
   24    20 S   CT   _CB2    32     1.53557   110.92800   112.38655
   25    24 S   HC   HB21    33     1.09382   108.66183    56.08999
   26    24 S   HC   HB22    34     1.09441   110.39734   174.78985
   27    22 S   N    _N3_    24     1.38522   113.43208    39.88174
   28    27 S   H    _HN3    25     1.01518   118.83581    -0.93419
   29    24 S   S    _SG2    35     1.83019   110.58348   -66.09233
   30    27 S   CT   _CA3    26     1.45423   123.46761   175.08514
   31    30 S   HC   HA31    27     1.09523   109.27903    24.14459
   32    30 S   HC   HA32    28     1.09499   107.13292   141.12912
   33    29 S   CT   _C11    36     1.86726   103.77072   155.63717
   34    33 S   OM   _O36    37     1.31818   110.96366   -52.08418
   35    30 S   CO3  _C3_    29     1.52901   113.00403   -99.36229
   36    35 S   O2Z  _O31    30     1.26412   115.34470   -47.11982
   37    35 S   O2Z  _O32    31     1.26348   115.03491   133.81130
   38    33 S   CM   _C12    38     1.54157   108.69038    70.13001
   39    38 S   CM   _C13    39     1.35538   121.04821    91.91814
   40    38 S   CT   _C14    88     1.53708   119.55519   -84.51931
   41    40 S   HC   _H13    89     1.09433   110.96279     2.35941
   42    40 S   HC   _H14    90     1.09944   106.40976   114.83814
   43    39 S   CT   _C8_    40     1.53212   126.13307     1.96513
   44    39 S   OH   _O34    86     1.39173   118.79839  -175.68988
   45    44 S   HO   _H12    87     0.96958   109.65518  -179.64447
   46    40 S   CT   _C15    91     1.55007   118.15811  -122.96135
   47    46 S   HC   _H4_    92     1.09536   109.87764   -57.77075
   48    43 S   CO4  _C9_    41     1.54303   111.18272    -1.33998
   49    48 S   O    _O33    42     1.23363   120.73410  -157.96557
   50    43 S   CT   _C7_    58     1.56657   111.18335  -122.32928
   51    50 S   HC   _H10    59     1.09389   110.15072   177.70757
   52    50 S   HC   _H11    60     1.09792   109.87705   -67.84233
   53    43 S   CT   _C31    72     1.56496   107.70733   115.55220
   54    53 S   HC   _H33    73     1.09563   109.53048   -54.95513
   55    53 S   HC   _H34    74     1.09843   109.70227    59.26800
   56    46 S   CT   _C16    93     1.55582   110.51345  -177.51273
   57    56 S   HC   _H5_    94     1.10093   107.40044   -47.25028
   58    33 S   CT   _C10    43     1.56723   108.48210  -169.08637
   59    58 S   HC   _H3_    44     1.09736   109.72687   178.64390
   60    50 S   CM   _C6_    61     1.51082   114.56347    52.67813
   61    60 S   HC   _H9_    62     1.08988   114.07150   -68.24733
   62    53 S   CM   _C32    75     1.50844   115.83740   179.09280
   63    62 S   HC   _H35    76     1.08942   114.15502   -72.12880
   64    56 S   CT   _C17    95     1.53966   105.13542  -160.08818
   65    64 S   HC   _H15    96     1.09491   113.75340  -109.90809
   66    64 S   HC   _H16    97     1.09689   109.61801   130.77711
   67    56 S   CM   _C21   108     1.51766   115.74448    73.55186
   68    58 S   CO4  _C24    45     1.55251   113.83313    58.38732
   69    68 S   O    _O37    46     1.23103   122.84491   -90.76394
   70    60 S   CM   _C5_    63     1.34688   128.59760   112.20477
   71    62 S   CM   _C33    77     1.34695   128.14124   108.81319
   72    64 S   CT   _C18    98     1.53013   106.30307    11.69371
   73    72 S   HC   _H17    99     1.09525   110.68965   137.67442
   74    72 S   HC   _H18   100     1.09709   108.86878  -103.55897
   75    67 S   CM   _C22   109     1.34350   120.80674  -127.30510
   76    75 S   HC   _H23   110     1.08506   121.49737   179.77445
   77    75 S   HC   _H24   111     1.08521   121.52271     0.01978
   78    67 S   CT   _C23   112     1.50378   118.73550    52.54660
   79    78 S   HC   _H25   113     1.09399   110.65096   -68.52543
   80    78 S   HC   _H26   114     1.09379   111.09125    52.21690
   81    78 S   HC   _H27   115     1.09561   111.88610   171.91633
   82    68 S   CA   _C25    47     1.48867   119.90820    87.02317
   83    70 S   CT   _C4_    64     1.50669   120.18259  -179.26645
   84    83 S   HC   _H6_    65     1.09509   110.22930   120.34112
   85    83 S   HC   _H7_    66     1.09490   110.24483  -119.84385
   86    83 S   HC   _H8_    67     1.09516   112.47930     0.32805
   87    70 S   CT   _C36    68     1.50219   125.71044    -0.08393
   88    87 S   HC   _H42    69     1.09527   110.00727   123.64688
   89    87 S   HC   _H43    70     1.09516   109.99475  -117.16373
   90    87 S   HC   _H44    71     1.09114   113.85039     3.51719
   91    71 S   CT   _C34    78     1.50604   120.31021   179.74056
   92    91 S   HC   _H36    79     1.09500   110.22991   119.81461
   93    91 S   HC   _H37    80     1.09495   110.23847  -120.37340
   94    91 S   HC   _H38    81     1.09510   112.45241    -0.26467
   95    71 S   CT   _C35    82     1.50231   125.50984    -1.07046
   96    95 S   HC   _H39    83     1.09510   110.06762   121.88065
   97    95 S   HC   _H40    84     1.09521   110.02697  -118.81458
   98    95 S   HC   _H41    85     1.09087   113.71329     1.54560
   99    46 S   CT   _C19   101     1.54354   117.81311    65.81127
  100    82 S   CA   _C26    48     1.39745   122.33057    36.02472
  101   100 S   HA   _H28    49     1.08435   121.92757     0.67666
  102    99 S   CT   _C20   102     1.52461   115.00737   -75.39838
  103   102 S   HC   _H19   103     1.09177   111.87797    72.71348
  104   102 S   HC   _H20   104     1.09468   111.78143   -49.48038
  105   102 S   HC   _H21   105     1.09635   110.43775  -169.76146
  106    99 S   OH   _O35   106     1.42538   110.43373    49.23278
  107   106 S   HO   _H22   107     0.97184   108.18568  -176.18859
  108   100 S   CA   _C27    50     1.39703   119.86662   179.79347
  109   108 S   HA   _H29    51     1.08643   119.83172   179.94065
  110   108 S   CA   _C28    52     1.39444   120.31002    -0.23573
  111   110 S   HA   _H30    53     1.08607   120.05602   179.94405
  112   110 S   CA   _C29    54     1.39320   119.94904    -0.21398
  113   112 S   HA   _H31    55     1.08659   120.14278  -179.92598
  114    82 S   CA   _C30    56     1.40145   117.99193  -144.91518
  115   114 S   HA   _H32    57     1.08730   120.91204     0.84765
  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   9   5   4   3
  16   7   2   1   1  17  18  15   5   4  19   4   1  19   8  14
   5  12   5   4   9   4   3  18   8   6   3  10   3  10   3  11
   6   5   9   8   3   8   8   9   4   3   6   2   1   3   2   1
   1   9   7   3   2   1   3   2   1   1   7   3   2   1   3   2
   1   1   6   8   4   5   3   2   1   1   1   6   3   5   3   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    58    59    68    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    48    49    58    59    68    69    82    44    40    41    42    46  
   38    39    48    58    59    68    40  
   36    37  
   37  
    0  
   39    43    48    58    59    68    50    53    44    45    40    41    42    46    47    56    99  
   43    48    49    58    50    51    52    60    53    54    55    62    44    45    40    41    42    46  
   41    42    46    47    56    57    64    72    99   102   106    67    43    44    58  
   42    46    47    56    99  
   46    47    56    99  
   48    49    58    59    68    50    51    52    60    61    70    53    54    55    62    63    71    44    45  
   45    48    50    53  
    0  
   47    56    57    64    65    66    72    73    74    99   102   103   104   105   106   107    67    75    78  
   56    57    64    72    99   102   106    67  
   49    58    59    68    69    82    50    51    52    60    53    54    55    62  
   58    59    68    50    53  
   51    52    60    61    70    83    87    53    54    55    62    58  
   52    60    61    70    53  
   60    61    70    53  
   54    55    62    63    71    91    95    58    60  
   55    62    63    71  
   62    63    71  
   57    64    65    66    72    73    74    99   102   106    67    75    76    77    78    79    80    81  
   64    65    66    72    99    67    75    78  
   59    68    69    82   100   114  
   68    69    82  
   61    70    83    84    85    86    87    88    89    90  
   70    83    87  
   63    71    91    92    93    94    95    96    97    98  
   71    91    95  
   65    66    72    73    74    99   102   106    67    75    78  
   66    72    73    74    99    67  
   72    73    74    99    67  
   75    76    77    78    79    80    81    72    99  
   69    82   100   101   108   112   114   115  
   82   100   114  
   83    84    85    86    87    88    89    90  
   91    92    93    94    95    96    97    98  
   73    74    99   102   103   104   105   106   107  
   74    99   102   106  
   99   102   106  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
  100   101   108   109   110   112   113   114   115  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96    97    98  
   93    94    95  
   94    95  
   95  
   96    97    98  
   97    98  
   98  
    0  
  102   103   104   105   106   107  
  101   108   109   110   111   112   114   115  
  108   109   110   114  
  103   104   105   106   107  
  104   105   106  
  105   106  
  106  
  107  
    0  
  109   110   111   112   113   114  
  110   111   112  
  111   112   113   114   115  
  112   113   114  
  113   114   115  
  114   115  
  115  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  109   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  110   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  111   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  112   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  113   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  114   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  115   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    58   268.000  1.529
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   317.000  1.510
   39    44   510.000  1.338
   43    48   317.000  1.522
   43    50   268.000  1.529
   43    53   268.000  1.529
   48    49   570.000  1.229
   48    58   317.000  1.522
   58    59   340.000  1.090
   58    68   317.000  1.522
   68    69   570.000  1.229
   68    82   310.000  1.470
   82   100   469.000  1.400
   82   114   469.000  1.400
  100   101   367.000  1.080
  100   108   469.000  1.400
  108   109   367.000  1.080
  108   110   469.000  1.400
  110   111   367.000  1.080
  110   112   469.000  1.400
  112   113   367.000  1.080
  112   114   469.000  1.400
  114   115   367.000  1.080
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   317.000  1.510
   60    61   340.000  1.080
   60    70   549.000  1.340
   70    83   317.000  1.510
   70    87   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   317.000  1.510
   62    63   340.000  1.080
   62    71   549.000  1.340
   71    91   317.000  1.510
   71    95   317.000  1.510
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    56   268.000  1.529
   46    99   268.000  1.529
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    99   268.000  1.529
   99   102   268.000  1.529
   99   106   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   553.000  0.945
   67    75   549.000  1.340
   67    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    58    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    58    48    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    68    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    39    43    70.00000  124.00000
   38    39    44    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    46    70.00000  112.02700
   39    43    48    70.00000  109.06800
   39    43    50    70.00000  112.02700
   39    43    53    70.00000  112.02700
   39    44    45    70.00000  107.45700
   43    48    49    80.00000  120.40000
   43    48    58    70.00000  116.00000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    60    70.00000  112.02700
   43    53    54    37.50000  110.70000
   43    53    55    37.50000  110.70000
   43    53    62    70.00000  112.02700
   48    58    59    35.00000  109.50000
   48    58    68    75.00000  107.99600
   58    33    34    50.00000  109.50000
   58    33    38    70.00000  112.02700
   58    48    49    80.00000  120.40000
   58    68    69    80.00000  120.40000
   58    68    82    65.00000  115.47100
   68    58    59    35.00000  109.50000
   68    82   100    60.00000  119.52600
   68    82   114    60.00000  119.52600
   82    68    69    75.00000  123.78400
   82   100   101    35.00000  120.00000
   82   100   108    63.00000  120.00000
   82   114   112    63.00000  120.00000
   82   114   115    35.00000  120.00000
  100   108   109    35.00000  120.00000
  100   108   110    63.00000  120.00000
  108   100   101    35.00000  120.00000
  108   110   111    35.00000  120.00000
  108   110   112    63.00000  120.00000
  110   108   109    35.00000  120.00000
  110   112   113    35.00000  120.00000
  110   112   114    63.00000  120.00000
  112   110   111    35.00000  120.00000
  112   114   115    35.00000  120.00000
  114    82   100    63.00000  120.00000
  114   112   113    35.00000  120.00000
   50    43    48    63.00000  111.10000
   50    60    61    35.00000  117.00000
   50    60    70    70.00000  124.00000
   52    50    51    33.00000  107.80000
   60    50    51    35.00000  109.50000
   60    50    52    35.00000  109.50000
   60    70    83    70.00000  124.00000
   60    70    87    70.00000  124.00000
   70    60    61    35.00000  120.00000
   70    83    84    35.00000  109.50000
   70    83    85    35.00000  109.50000
   70    83    86    35.00000  109.50000
   70    87    88    35.00000  109.50000
   70    87    89    35.00000  109.50000
   70    87    90    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    70    83    65.00000  117.92700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   53    43    48    63.00000  111.10000
   53    43    50    58.35000  112.70000
   53    62    63    35.00000  117.00000
   53    62    71    70.00000  124.00000
   55    53    54    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    55    35.00000  109.50000
   62    71    91    70.00000  124.00000
   62    71    95    70.00000  124.00000
   71    62    63    35.00000  120.00000
   71    91    92    35.00000  109.50000
   71    91    93    35.00000  109.50000
   71    91    94    35.00000  109.50000
   71    95    96    35.00000  109.50000
   71    95    97    35.00000  109.50000
   71    95    98    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   95    71    91    65.00000  117.92700
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   44    39    43    90.00000  109.34000
   40    38    39    70.00000  124.00000
   40    46    47    37.50000  110.70000
   40    46    56    58.35000  112.70000
   40    46    99    58.35000  112.70000
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    56    57    37.50000  110.70000
   46    56    64    58.35000  112.70000
   46    56    67    70.00000  112.02700
   46    99    72    58.35000  112.70000
   46    99   102    58.35000  112.70000
   46    99   106    50.00000  109.50000
   56    46    47    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    72    58.35000  112.70000
   56    67    75    70.00000  124.00000
   56    67    78    65.00000  117.92700
   64    56    57    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    99    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    99   102    58.35000  112.70000
   72    99   106    50.00000  109.50000
   74    72    73    33.00000  107.80000
   99    46    47    37.50000  110.70000
   99    46    56    58.35000  112.70000
   99    72    73    37.50000  110.70000
   99    72    74    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    37.50000  110.70000
   99   106   107    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    99   102    50.00000  109.50000
   67    56    57    35.00000  109.50000
   67    56    64    70.00000  112.02700
   67    75    76    35.00000  120.00000
   67    75    77    35.00000  120.00000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    67    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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
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   56    67    78    79   0.34800  1.0 3.0
   56    67    78    80   0.34800  1.0 3.0
   56    67    78    81   0.34800  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    72   0.15000  1.0 3.0
   57    56    67    75   0.00000  1.0 1.0
   57    56    67    78   0.34800  1.0 3.0
   64    56    67    75   0.09850  1.0 1.0
   64    56    67    75   0.15250 -1.0 2.0
   64    56    67    75  -0.50650  1.0 3.0
   64    56    67    78   0.46850  1.0 1.0
   64    56    67    78   0.08550 -1.0 2.0
   64    56    67    78   0.09800  1.0 3.0
   64    72   -99    46   0.56750  1.0 1.0
   64    72   -99    46  -0.07550 -1.0 2.0
   64    72   -99    46   0.20000  1.0 3.0
   64    72    99   102   0.56750  1.0 1.0
   64    72    99   102  -0.07550 -1.0 2.0
   64    72    99   102   0.20000  1.0 3.0
   64    72    99   106   0.86500  1.0 1.0
   64    72    99   106  -0.17500 -1.0 2.0
   64    72    99   106   0.20800  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    99   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    74   0.15000  1.0 3.0
   66    64    72    99   0.15000  1.0 3.0
   72    99   102   103   0.15000  1.0 3.0
   72    99   102   104   0.15000  1.0 3.0
   72    99   102   105   0.15000  1.0 3.0
   72    99   106   107  -0.11600  1.0 1.0
   72    99   106   107  -0.09450 -1.0 2.0
   72    99   106   107   0.21250  1.0 3.0
   73    72    99    46   0.15000  1.0 3.0
   73    72    99   102   0.15000  1.0 3.0
   73    72    99   106   0.23400  1.0 3.0
   74    72    99    46   0.15000  1.0 3.0
   74    72    99   102   0.15000  1.0 3.0
   74    72    99   106   0.23400  1.0 3.0
   99    46    56    57   0.15000  1.0 3.0
   99    46   -56    64   0.56750  1.0 1.0
   99    46   -56    64  -0.07550 -1.0 2.0
   99    46   -56    64   0.20000  1.0 3.0
   99    46    56    67   0.34400  1.0 1.0
   99    46    56    67   0.09450 -1.0 2.0
   99    46    56    67   0.11100  1.0 3.0
  102    99   106   107  -0.11600  1.0 1.0
  102    99   106   107  -0.09450 -1.0 2.0
  102    99   106   107   0.21250  1.0 3.0
  106    99   102   103   0.23400  1.0 3.0
  106    99   102   104   0.23400  1.0 3.0
  106    99   102   105   0.23400  1.0 3.0
   67    56    64    65   0.15000  1.0 3.0
   67    56    64    66   0.15000  1.0 3.0
   67    56    64    72   0.34400  1.0 1.0
   67    56    64    72   0.09450 -1.0 2.0
   67    56    64    72   0.11100  1.0 3.0
   75    67    78    79   0.00000  1.0 1.0
   75    67    78    80   0.00000  1.0 1.0
   75    67    78    81   0.00000  1.0 1.0
   78    67    75    76   7.00000 -1.0 2.0
   78    67    75    77   7.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   43    58    48    49  10.50000 -1.0 2.0
   58    82    68    69  10.50000 -1.0 2.0
  100   114    82    68   4.00000 -1.0 2.0
  108   101   100    82   1.10000 -1.0 2.0
  110   109   108   100   1.10000 -1.0 2.0
  112   111   110   108   1.10000 -1.0 2.0
  114   113   112   110   1.10000 -1.0 2.0
  112   115   114    82   1.10000 -1.0 2.0
   50    61    60    70  15.00000 -1.0 2.0
   83    87    70    60  15.00000 -1.0 2.0
   53    63    62    71  15.00000 -1.0 2.0
   91    95    71    62  15.00000 -1.0 2.0
   56    78    67    75  15.00000 -1.0 2.0
   76    77    75    67  15.00000 -1.0 2.0
END
