* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    209    339     629
    1     0 S   NP   _N1_     1    28.65323    94.71964   -20.48283
    2     1 S   H    _HN1     2     1.02776    88.22741   -70.16485
    3     1 S   H    _H1_     3     1.02962    90.63729    38.16959
    4     1 S   H    _H2_     4     1.02832    31.87854   160.57781
    5     1 S   CT   _CA1     5     1.50144   142.58541   164.12525
    6     5 S   HC   _HA1     6     1.09582   105.17169    57.02908
    7     5 S   CO3  _C1_     7     1.53718   112.48385   -62.95930
    8     7 S   O2Z  _O11     8     1.26344   115.01521   -41.19745
    9     7 S   O2Z  _O12     9     1.26240   114.94521   138.05643
   10     5 S   CT   _CB1    10     1.53120   107.38703   174.79060
   11    10 S   HC   HB11    11     1.09812   109.02529   -51.62698
   12    10 S   HC   HB12    12     1.09820   110.50597    64.82981
   13    10 S   CT   _CG1    13     1.53005   112.80824  -172.89596
   14    13 S   HC   HG11    14     1.09532   110.32620   -67.03419
   15    13 S   HC   HG12    15     1.09662   110.05043    52.03045
   16    13 S   C    _CD1    16     1.51866   112.46032   171.92051
   17    16 S   O    _OE1    17     1.22720   123.22736    -8.71041
   18    16 S   N    _N2_    18     1.38615   111.65107   172.60718
   19    18 S   H    _HN2    19     1.01587   118.97068    -1.11329
   20    18 S   CT1  _CA2    20     1.46270   123.49927   177.07270
   21    20 S   HC   _HA2    21     1.09749   109.36917   -11.91818
   22    20 S   C    _C2_    22     1.53542   107.84692  -127.18087
   23    22 S   O    _O2_    23     1.23001   122.37973  -144.59163
   24    20 S   CT   _CB2    32     1.53583   111.82558   110.50788
   25    24 S   HC   HB21    33     1.09462   109.29269    52.59962
   26    24 S   HC   HB22    34     1.09307   109.62605   171.54753
   27    22 S   N    _N3_    24     1.38557   113.30331    42.66719
   28    27 S   H    _HN3    25     1.01521   118.90693    -0.61897
   29    24 S   S    _SG2    35     1.82984   111.21209   -68.31666
   30    27 S   CT   _CA3    26     1.45449   123.50845   175.11826
   31    30 S   HC   HA31    27     1.09518   109.31805    22.95692
   32    30 S   HC   HA32    28     1.09497   107.10598   139.98199
   33    29 S   CT   _C11    36     1.87119   103.17351  -176.76052
   34    30 S   CO3  _C3_    29     1.52920   113.04179  -100.56875
   35    34 S   O2Z  _O31    30     1.26409   115.38060   -44.85944
   36    34 S   O2Z  _O32    31     1.26351   114.99636   136.05183
   37    33 S   CM   _C12    37     1.51513   108.35761    68.40187
   38    37 S   HC   _H19    38     1.09086   116.08268   -62.38007
   39    33 S   CT   _C30   104     1.54879   109.26972   -46.72768
   40    39 S   HC   _H34   105     1.09198   113.04842   -47.37259
   41    39 S   HC   _H35   106     1.09695   111.14324  -168.33230
   42    39 S   HC   _H36   107     1.09712   112.38375    73.43800
   43    37 S   CMA  _C13    39     1.34771   127.43767   122.02742
   44    43 S   OM   _O43    40     1.26424   128.36002   174.65071
   45    43 S   CT   _C14    41     1.54002   118.95381    -4.20086
   46    45 S   HC   _H5_    42     1.10017   106.46195    96.92227
   47    45 S   CT   _C15    43     1.58415   115.48878   -23.40712
   48    45 S   OH   _O42   102     1.43038   110.74133  -148.62056
   49    48 S   HO   _H33   103     0.97384   106.50988   -28.02083
   50    33 S   CT   _C10    44     1.58622   111.51307  -168.38170
   51    50 S   HC   _H4_    45     1.10154   103.69037   159.45638
   52    47 S   CT   _C29    98     1.55185   108.70758   -68.38870
   53    52 S   HC   _H30    99     1.09044   112.70315   169.92374
   54    52 S   HC   _H31   100     1.09310   112.25319    49.32333
   55    52 S   HC   _H32   101     1.09079   113.06019   -68.33317
   56    50 S   CT   _C9_    46     1.55412   115.90634    43.94858
   57    56 S   HC   _H3_    47     1.09312   109.56866   -74.51323
   58    56 S   CT   _C18    48     1.53641   110.06861   163.65947
   59    58 S   HC   _H7_    49     1.09752   109.13959  -177.79895
   60    56 S   OS   _O34    84     1.44551   110.93958    45.12861
   61    58 S   CT   _C17    50     1.52142   113.01002    59.30548
   62    60 S   CO4  _C8_    85     1.36055   117.28470  -154.47179
   63    62 S   O    _O33    86     1.22222   126.37994     1.49528
   64    61 S   CT   _C25    51     1.53850   112.56763    68.80329
   65    64 S   HC   _H20    52     1.09079   114.22847   -35.79393
   66    64 S   HC   _H21    53     1.09522   113.12046    85.74160
   67    61 S   CT   _C21    62     1.57759   107.61042  -171.48555
   68    67 S   HC   _H9_    63     1.10232   107.24124   -59.26556
   69    62 S   CM   _C6_    87     1.48953   109.10525  -178.45225
   70    64 S   OS   _O37    54     1.43776   106.39992  -154.43784
   71    67 S   CT   _C20    64     1.53736   110.69571    55.57501
   72    71 S   HC   _H8_    65     1.09338   111.03165    71.19815
   73    69 S   CM   _C5_    88     1.34489   115.72911  -149.26950
   74    73 S   HC   _H15    89     1.08896   119.22340     0.62745
   75    69 S   CT   _C7_    94     1.49814   118.11133    32.98545
   76    75 S   HC   _H16    95     1.09392   110.57761   -83.37789
   77    75 S   HC   _H17    96     1.09577   110.66150    36.76543
   78    75 S   HC   _H18    97     1.09336   112.49125   155.43827
   79    70 S   CO   _C24    55     1.44533   108.22684     2.99454
   80    71 S   CO4  _C19    66     1.51561   112.80782   -49.97340
   81    80 S   O    _O36    67     1.22786   123.33210  -146.24458
   82    71 S   OS   _O40    69     1.44414   109.74535  -166.54280
   83    73 S   CT   _C4_    90     1.49494   127.10827   179.41149
   84    83 S   HC   _H12    91     1.09475   109.45572  -125.30396
   85    83 S   HC   _H13    92     1.09423   109.82391   116.11714
   86    83 S   HC   _H14    93     1.09211   113.51284    -5.36162
   87    47 S   CT   _C16    56     1.61650   108.72618   168.85060
   88    87 S   HC   _H6_    57     1.09355   104.35771   -33.72855
   89    79 S   CT   _C23    58     1.55134   107.08029   -92.52281
   90    89 S   HC   _H11    59     1.09823   108.25369   -63.62034
   91    58 S   OS   _O35    68     1.45124   105.86607   -64.62260
   92    82 S   CO4  _C27    70     1.36491   117.67802  -148.38782
   93    92 S   O    _O41    71     1.22300   126.40457     1.07429
   94    79 S   OH   _O38    82     1.41360   110.57216   149.73113
   95    94 S   HO   _H22    83     0.97043   109.09278    88.07846
   96    89 S   CT   _C22    60     1.54059   112.78934    54.60067
   97    96 S   HC   _H10    61     1.10031   105.45405   -75.18235
   98    92 S   CT   _C28    72     1.49830   109.45534  -179.16961
   99    98 S   HC   _H27    73     1.09284   109.82816   -61.88874
  100    98 S   HC   _H28    74     1.09376   109.35580   179.00850
  101    98 S   HC   _H29    75     1.09291   109.82689    60.02553
  102    89 S   OH   _O39    80     1.42573   111.09211  -178.55058
  103   102 S   HO   _H23    81     0.96927   109.43020   -66.83474
  104    96 S   CT   _C26    76     1.52876   111.65479   172.34245
  105   104 S   HC   _H24    77     1.09318   112.39872   -62.07775
  106   104 S   HC   _H25    78     1.09464   110.93026   175.56632
  107   104 S   HC   _H26    79     1.09605   110.15872    57.17013
  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
  18   2   1   1  14   5   8   3   2   1   9   4  15   6  21   4
   1  16   6   8   3   2   1  13   6  18   7   7  19   9   3  13
   5   4  21   9  10   9  13   6   9   5   4   2   1   1  11   5
   2   8   3   2   1   1   8   2  11   6   1   5   4   3   1   7
   5   3   2   1   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    50    51    56    57    58    87    60    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    51    56    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    87    52    48    49  
   45    46    47    48  
   46    47    50    51    56    61    79    87    88    52    53    54    55    48    49  
   47    50    87    52    48    49  
   50    51    56    57    58    61    64    70    79    87    88    89    67    94    60    52    53    54    55    48    49  
   49    50    52    87  
    0  
   51    56    57    58    59    61    79    87    88    91    60    62    52    53    54    55  
   56    57    58    87    60    52  
   53    54    55    56    61    79    87    88  
   54    55    87  
   55    87  
   87  
   57    58    59    61    64    87    67    80    91    60    62    63    69  
   58    59    61    91    60    62  
   59    61    64    65    66    70    79    87    88    96    67    68    71    80    81    91    60    62  
   61    64    87    67    80    91    60  
   62    63    69    73    75    61    91  
   64    65    66    70    79    87    88    89    96    97    67    68    71    72    80    91    82   104    94  
   63    69    73    74    83    75    76    77    78  
   69    73    75  
   65    66    70    79    87    88    89    96    67    68    71    91    94  
   66    70    79    87    67  
   70    79    87    67  
   68    71    72    80    81    91    82    92   104   105   106   107   102    70    79    87    88    89    90    96    97  
   71    72    80    82   104    87    89    96    97  
   73    74    83    84    85    86    75    76    77    78  
   79    87    88    89    90    96   102    94    95  
   72    80    81    91    82    92    93    98   104    87    89    96    97  
   80    81    91    82    92    96  
   74    83    84    85    86    75    76    77    78  
   83    84    85    86    75  
   76    77    78    83  
   77    78  
   78  
    0  
   87    88    89    90    96    97   104   102   103    94    95  
   81    91    82    92    96  
   91    82  
   92    93    98    99   100   101    91    96  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    96    91   102    94    95  
   89    94  
   90    96    97   104   105   106   107   102   103    94    95  
   96    97   104   102   103    94  
    0  
   93    98    99   100   101  
   98    99   100   101  
   95    96   102  
    0  
   97   104   105   106   107   102   103  
  104   105   106   107   102  
   99   100   101  
  100   101  
  101  
    0  
  103   104  
    0  
  105   106   107  
  106   107  
  107  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  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
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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    87   268.000  1.529
   47    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   320.000  1.410
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    91   320.000  1.410
   61    64   268.000  1.529
   61    87   268.000  1.529
   61    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   320.000  1.410
   70    79   320.000  1.380
   79    87   250.000  1.527
   79    89   250.000  1.527
   79    94   380.000  1.407
   87    88   340.000  1.090
   89    90   340.000  1.090
   89    96   268.000  1.529
   89   102   320.000  1.410
   96    97   340.000  1.090
   96    67   268.000  1.529
   96   104   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    80   317.000  1.522
   71    82   320.000  1.410
   80    81   570.000  1.229
   80    91   214.000  1.327
   82    92   214.000  1.327
   92    93   570.000  1.229
   92    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  102   103   553.000  0.945
   94    95   553.000  0.945
   60    62   214.000  1.327
   62    63   570.000  1.229
   62    69   320.000  1.462
   69    73   549.000  1.340
   69    75   317.000  1.510
   73    74   340.000  1.080
   73    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    48    90.00000  110.39200
   45    43    44    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    87    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    58.35000  112.70000
   47    87    61    58.35000  112.70000
   47    87    79    75.00000  109.43000
   47    87    88    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    58.35000  112.70000
   50    56    60    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    58    91    50.00000  109.50000
   56    60    62    83.00000  116.90000
   58    56    57    37.50000  110.70000
   58    61    64    58.35000  112.70000
   58    61    87    58.35000  112.70000
   58    61    67    58.35000  112.70000
   58    91    80    83.00000  116.90000
   61    58    59    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    70    50.00000  109.50000
   61    87    79    75.00000  109.43000
   61    87    88    37.50000  110.70000
   61    67    96    58.35000  112.70000
   61    67    68    37.50000  110.70000
   61    67    71    58.35000  112.70000
   64    70    79    60.00000  109.50000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    79    87    90.00000  108.56700
   70    79    89    90.00000  108.56700
   70    79    94   110.00000  112.08000
   79    87    88    45.00000  108.72000
   79    89    90    45.00000  108.72000
   79    89    96    75.00000  109.43000
   79    89   102    90.00000  111.58700
   79    94    95    70.00000  107.92000
   87    47    50    58.35000  112.70000
   87    61    64    58.35000  112.70000
   89    79    87    65.00000  112.71400
   89    96    97    37.50000  110.70000
   89    96    67    58.35000  112.70000
   89    96   104    58.35000  112.70000
   89   102   103    55.00000  108.50000
   96    89    90    37.50000  110.70000
   96    67    68    37.50000  110.70000
   96    67    71    58.35000  112.70000
   96   104   105    37.50000  110.70000
   96   104   106    37.50000  110.70000
   96   104   107    37.50000  110.70000
   67    61    64    58.35000  112.70000
   67    61    87    58.35000  112.70000
   67    96    97    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    80    63.00000  111.10000
   67    71    82    50.00000  109.50000
   71    67    68    37.50000  110.70000
   71    80    81    80.00000  120.40000
   71    80    91    81.00000  111.40000
   71    82    92    83.00000  116.90000
   80    71    72    35.00000  109.50000
   91    58    59    35.00000  109.50000
   91    58    61    50.00000  109.50000
   91    80    81    83.00000  123.40000
   82    71    72    35.00000  109.50000
   82    71    80    90.00000  108.74100
   82    92    93    83.00000  123.40000
   82    92    98    81.00000  111.40000
   92    98    99    35.00000  109.50000
   92    98   100    35.00000  109.50000
   92    98   101    35.00000  109.50000
   98    92    93    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  104    96    97    37.50000  110.70000
  104    96    67    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
  102    89    90    35.00000  109.50000
  102    89    96    50.00000  109.50000
   94    79    87    90.00000  110.19100
   94    79    89    90.00000  110.19100
   60    56    57    35.00000  109.50000
   60    56    58    50.00000  109.50000
   60    62    63    83.00000  123.40000
   60    62    69    90.00000  111.29400
   62    69    73    65.00000  118.96000
   62    69    75    65.00000  116.34900
   69    62    63    80.00000  123.72100
   69    73    74    35.00000  120.00000
   69    73    83    70.00000  124.00000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   73    83    84    35.00000  109.50000
   73    83    85    35.00000  109.50000
   73    83    86    35.00000  109.50000
   83    73    74    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   75    69    73    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   52    47    50    58.35000  112.70000
   52    47    87    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
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   71    82    92    93   3.00000 -1.0 2.0
   71    82    92    98   1.63150  1.0 1.0
   71    82    92    98   2.92000 -1.0 2.0
   72    71    80    81   0.00000  1.0 1.0
   72    71    80    91   0.00000  1.0 1.0
   72    71    82    92   0.08050  1.0 3.0
   80    71    82    92  -1.80650  1.0 1.0
   80    71    82    92   0.63900 -1.0 2.0
   80    71    82    92   0.03650  1.0 3.0
   81    80    91    58   3.00000 -1.0 2.0
   91    58    61    64   0.62750  1.0 1.0
   91    58    61    64  -0.30950 -1.0 2.0
   91    58    61    64   0.27300  1.0 3.0
   91    58    61    87   0.62750  1.0 1.0
   91    58    61    87  -0.30950 -1.0 2.0
   91    58    61    87   0.27300  1.0 3.0
   91    58   -61    67   0.62750  1.0 1.0
   91    58   -61    67  -0.30950 -1.0 2.0
   91    58   -61    67   0.27300  1.0 3.0
   82    71    80    81   0.30150 -1.0 2.0
   82    71    80    91   0.40000  1.0 3.0
   82    92    98    99   0.00000  1.0 1.0
   82    92    98   100   0.00000  1.0 1.0
   82    92    98   101   0.00000  1.0 1.0
   93    92    98    99   0.00000  1.0 1.0
   93    92    98   100   0.00000  1.0 1.0
   93    92    98   101   0.00000  1.0 1.0
  104    96    67    61   0.56750  1.0 1.0
  104    96    67    61  -0.07550 -1.0 2.0
  104    96    67    61   0.20000  1.0 3.0
  104    96    67    68   0.15000  1.0 3.0
  104    96    67    71   0.56750  1.0 1.0
  104    96    67    71  -0.07550 -1.0 2.0
  104    96    67    71   0.20000  1.0 3.0
  102    89    96    97   0.23400  1.0 3.0
  102    89    96    67   0.86500  1.0 1.0
  102    89    96    67  -0.17500 -1.0 2.0
  102    89    96    67   0.20800  1.0 3.0
  102    89    96   104   0.86500  1.0 1.0
  102    89    96   104  -0.17500 -1.0 2.0
  102    89    96   104   0.20800  1.0 3.0
   94    79    87    47   0.86500  1.0 1.0
   94    79    87    47  -0.17500 -1.0 2.0
   94    79    87    47   0.20800  1.0 3.0
   94    79    87    61   0.86500  1.0 1.0
   94    79    87    61  -0.17500 -1.0 2.0
   94    79    87    61   0.20800  1.0 3.0
   94    79    87    88   0.23400  1.0 3.0
   94    79    89    90   0.23400  1.0 3.0
   94    79    89    96   0.86500  1.0 1.0
   94    79    89    96  -0.17500 -1.0 2.0
   94    79    89    96   0.20800  1.0 3.0
   94    79    89   102   3.75450  1.0 1.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    61   0.62750  1.0 1.0
   60    56    58    61  -0.30950 -1.0 2.0
   60    56    58    61   0.27300  1.0 3.0
   60    56    58    91   1.11900  1.0 1.0
   60    56    58    91  -1.16350 -1.0 2.0
   60    56    58    91  -0.34150  1.0 3.0
   60    62    69    73  -0.56150  1.0 1.0
   60    62    69    73   2.19150 -1.0 2.0
   60    62    69    75  -0.15000  1.0 1.0
   60    62    69    75   0.89550 -1.0 2.0
   60    62    69    75  -0.06900  1.0 3.0
   62    69    73    74   7.00000 -1.0 2.0
   62    69    73    83   7.00000 -1.0 2.0
   62    69    75    76   0.15000  1.0 3.0
   62    69    75    77   0.15000  1.0 3.0
   62    69    75    78   0.15000  1.0 3.0
   63    62    69    73   1.00000 -1.0 2.0
   63    62    69    75  -0.64400  1.0 1.0
   63    62    69    75   0.26850 -1.0 2.0
   69    73    83    84   0.00000  1.0 1.0
   69    73    83    85   0.00000  1.0 1.0
   69    73    83    86   0.00000  1.0 1.0
   73    69    75    76   0.00000  1.0 1.0
   73    69    75    77   0.00000  1.0 1.0
   73    69    75    78   0.00000  1.0 1.0
   74    73    83    84   0.33100  1.0 3.0
   74    73    83    85   0.33100  1.0 3.0
   74    73    83    86   0.33100  1.0 3.0
   75    69    73    74   7.00000 -1.0 2.0
   75    69    73    83   7.00000 -1.0 2.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   0.56750  1.0 1.0
   52    47    50    56  -0.07550 -1.0 2.0
   52    47    50    56   0.20000  1.0 3.0
   52    47    87    61   0.56750  1.0 1.0
   52    47    87    61  -0.07550 -1.0 2.0
   52    47    87    61   0.20000  1.0 3.0
   52    47    87    79   3.97050  1.0 1.0
   52    47    87    88   0.15000  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    87   0.86500  1.0 1.0
   48    45    47    87  -0.17500 -1.0 2.0
   48    45    47    87   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   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    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   71    91    80    81  10.50000 -1.0 2.0
   82    98    92    93  10.50000 -1.0 2.0
   60    69    62    63  10.50000 -1.0 2.0
   62    75    69    73  15.00000 -1.0 2.0
   83    74    73    69  15.00000 -1.0 2.0
END
