* LIGAND DATABASE FILE (OPLS2005)
*
001     107   112    218    363     654
    1     0 S   NP   _N1_     1    28.81904   100.73035   -20.09940
    2     1 S   H    _HN1     2     1.02775    86.87589   -94.63497
    3     1 S   H    _H1_     3     1.02959    53.59312    20.94043
    4     1 S   H    _H2_     4     1.02836    68.00131   154.64072
    5     1 S   CT   _CA1     5     1.50123   159.37890    64.01712
    6     5 S   HC   _HA1     6     1.09575   105.23110   141.65346
    7     5 S   CO3  _C1_     7     1.53798   112.35998    21.43317
    8     7 S   O2Z  _O11     8     1.26365   115.00235   -44.12102
    9     7 S   O2Z  _O12     9     1.26237   114.93679   135.03039
   10     5 S   CT   _CB1    10     1.53104   107.42978  -100.41874
   11    10 S   HC   HB11    11     1.09825   109.37362   -50.50224
   12    10 S   HC   HB12    12     1.09817   110.40994    66.06543
   13    10 S   CT   _CG1    13     1.53010   112.64726  -171.57489
   14    13 S   HC   HG11    14     1.09597   110.47028   -63.53933
   15    13 S   HC   HG12    15     1.09653   109.94500    55.65299
   16    13 S   C    _CD1    16     1.51833   112.34374   176.05022
   17    16 S   O    _OE1    17     1.22743   123.31177    -1.03703
   18    16 S   N    _N2_    18     1.38547   111.67449   178.90478
   19    18 S   H    _HN2    19     1.01565   118.99959     4.89697
   20    18 S   CT1  _CA2    20     1.45801   122.93357   178.45617
   21    20 S   HC   _HA2    21     1.09715   109.07019    22.25778
   22    20 S   C    _C2_    22     1.52855   106.96959   -95.16608
   23    22 S   O    _O2_    23     1.22989   122.87176   -30.88172
   24    20 S   CT   _CB2    32     1.53334   112.11042   145.53314
   25    24 S   HC   HB21    33     1.09381   109.61781    53.85470
   26    24 S   HC   HB22    34     1.09322   109.23214   172.49666
   27    22 S   N    _N3_    24     1.38524   112.68061   152.24169
   28    27 S   H    _HN3    25     1.01643   120.36044    -3.88222
   29    24 S   S    _SG2    35     1.82735   110.69347   -67.41419
   30    27 S   CT   _CA3    26     1.45400   122.29945   177.88511
   31    30 S   HC   HA31    27     1.09579   107.47072   -59.26942
   32    30 S   HC   HA32    28     1.09552   107.94951    56.97081
   33    29 S   CT   _C22    36     1.88159   102.62980   174.44600
   34    30 S   CO3  _C3_    29     1.52814   114.13238   178.38869
   35    34 S   O2Z  _O31    30     1.26326   115.83035   -21.55679
   36    34 S   O2Z  _O32    31     1.26401   114.65431   158.60709
   37    33 S   CM   _C6_    37     1.54568   106.20001   177.38095
   38    33 S   CT   _C26   104     1.53939   109.42940   -60.74959
   39    38 S   HC   _H57   105     1.09536   111.89562    72.26999
   40    38 S   HC   _H58   106     1.09571   112.57898   -48.95571
   41    38 S   HC   _H59   107     1.09690   110.76245  -169.41669
   42    37 S   CMA  _C7_    38     1.37455   123.89119  -107.86903
   43    42 S   OM   _O29    39     1.26837   124.49315  -177.96135
   44    37 S   CT   _C30    99     1.52872   115.72094    72.40934
   45    44 S   HC   _H69   100     1.09411   111.40765   -39.76852
   46    44 S   HC   _H70   101     1.09479   112.79693  -158.98183
   47    42 S   OS   _O33    40     1.40681   117.86390     0.81613
   48    44 S   OH   _O36   102     1.42309   109.91274    80.37654
   49    48 S   HO   _H73   103     0.97185   106.83000   175.39215
   50    47 S   CT   _C21    41     1.43132   118.89018    21.40205
   51    50 S   HC   _H56    42     1.09489   106.74570    65.97877
   52    33 S   CT   _C14    43     1.53778   110.87075    58.48405
   53    52 S   HC   _H48    44     1.09173   111.88860   -51.77757
   54    52 S   HC   _H49    45     1.09950   108.05485  -167.95229
   55    50 S   CT   _C31    46     1.55997   108.13758  -178.03916
   56    55 S   HC   _H71    47     1.09867   106.05761   -51.44365
   57    55 S   CT   _C19    48     1.55584   112.05058  -169.71740
   58    57 S   HC   _H54    49     1.09907   107.63474   -61.13108
   59    55 S   CT   _C29    95     1.53461   110.96885    63.38812
   60    59 S   HC   _H66    96     1.09472   111.52642    77.65547
   61    59 S   HC   _H67    97     1.09494   111.62690   -43.24277
   62    59 S   HC   _H68    98     1.09253   111.09530  -161.43045
   63    57 S   CT   _C11    50     1.55718   112.02308    56.35929
   64    63 S   HC   _H42    51     1.09594   112.04364    29.93048
   65    63 S   HC   _H43    52     1.09541   110.31399   -89.82024
   66    63 S   CT   _C9_    53     1.53353   107.18054   149.84075
   67    66 S   HC   _H38    54     1.09371   111.03327   130.26728
   68    66 S   HC   _H39    55     1.09574   110.56046  -110.49103
   69    66 S   CT   _C17    56     1.52153   103.88523     9.28679
   70    69 S   HC   _H52    57     1.10369   105.83168    77.72134
   71    69 S   CT   _C18    58     1.53704   118.26539  -163.40336
   72    71 S   HC   _H53    59     1.09632   109.60237    62.41384
   73    71 S   CT   _C13    60     1.53146   109.91041   -56.89338
   74    73 S   HC   _H46    61     1.09611   110.16187   -54.77574
   75    73 S   HC   _H47    62     1.09585   110.17669    63.03516
   76    71 S   CT   _C16    75     1.55894   109.50293  -177.93228
   77    76 S   HC   _H51    76     1.10192   105.58502    62.84060
   78    73 S   C3T  _C20    63     1.48142   112.47170  -175.85537
   79    78 S   HC   _H55    64     1.08174   112.71444  -178.76346
   80    76 S   CT   _C10    77     1.55832   110.17010   -50.99326
   81    80 S   HC   _H40    78     1.09476   110.12719   -71.06321
   82    80 S   HC   _H41    79     1.09399   110.53731   172.15925
   83    78 S   C3T  _C25    65     1.51305   121.68831    28.15432
   84    80 S   CT   _C12    80     1.53791   114.21649    50.83834
   85    84 S   HC   _H44    81     1.09757   108.77646    66.67429
   86    84 S   HC   _H45    82     1.09346   108.12173  -178.18609
   87    83 S   CT   _C15    66     1.51231   117.66045   158.83806
   88    87 S   HC   _H50    67     1.09680   109.06073    -5.33109
   89    57 S   CT   _C24    83     1.56091   119.59542   176.62559
   90    78 S   O3T  _O34    94     1.42378   114.80880   -39.53564
   91    87 S   CM   _C5_    68     1.48937   114.62423  -126.22586
   92    91 S   HC   _H37    69     1.08677   117.46398   165.53853
   93    89 S   CT   _C28    84     1.54780   110.94573   -45.73253
   94    93 S   HC   _H63    85     1.09457   112.43050   -46.13481
   95    93 S   HC   _H64    86     1.09298   112.81039  -166.80309
   96    93 S   HC   _H65    87     1.09476   110.93028    73.64613
   97    87 S   OH   _O35    92     1.42777   109.89305   111.38040
   98    97 S   HO   _H72    93     0.97224   107.75260  -174.59155
   99    91 S   CM   _C4_    70     1.33319   123.77231   -13.38446
  100    99 S   HC   _H36    71     1.08448   121.00973   178.97645
  101    99 S   CO4  _C8_    72     1.48209   121.67561    -2.50850
  102   101 S   O    _O30    73     1.23241   116.71397  -179.61845
  103    83 S   CT   _C23    74     1.54040   121.08715    -1.79570
  104   103 S   CT   _C27    88     1.54484   108.74887  -121.39760
  105   104 S   HC   _H60    89     1.09532   111.28576    68.63678
  106   104 S   HC   _H61    90     1.09514   111.65403   -51.27824
  107   104 S   HC   _H62    91     1.09546   112.08554  -169.72528
  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  16   9   3   2   1  10   3   6   3   2   9   1
   1  14   7   6   2   1  15   8  23   9   5   2   1   1  11   6
   5  11   5   4  19   7  19   9  12   6   5  20   8  10   4  11
   6   5  15   8   3   2  11   7   4   5   8   4   3   2   1   1
   3   1   5   3   6   2   4   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    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    50    52    53    54    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    50    51    52    53    54    55    44    45    46    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    50    52    53    54    44    45    46    48    49    38    39    40    41  
   39    40    41    42    44    50    52    53    54  
   40    41    52  
   41    52  
   52  
   43    47    50    51    52    55    44    45    46    48  
   47    50    44  
   45    46    48    49    47    52  
   46    48    49  
   48    49  
   50    51    52    53    54    55    56    57    59  
   49  
    0  
   51    52    53    54    55    56    57    58    63    89    59    60    61    62  
   52    53    54    55    56    57    59  
   53    54    55    56    57    59  
   54    55  
   55  
   56    57    58    63    64    65    66    69    84    89    93    59    60    61    62  
   57    58    63    89    59    60    61    62  
   58    63    64    65    66    67    68    69    70    71    80    84    85    86    89    93    94    95    96    59    60    61    62  
   63    64    65    66    69    84    89    93    59  
   60    61    62    63    89  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    84    89    93  
   65    66    67    68    69    89  
   66    67    68    69    89  
   67    68    69    70    71    72    73    76    84    89    93  
   68    69    70    71    89  
   69    70    71    89  
   70    71    72    73    74    75    78   103    76    77    80    84    85    86    89    93    94    95    96  
   71    72    73    76    84    89    93  
   72    73    74    75    78    79    83   101   103    76    77    80    81    82    84    89    93   104    90  
   73    74    75    78   103    76    77    80    89  
   74    75    78    79    83    87   103    76    77    80    89    90  
   75    78    79    83    76    90  
   78    79    83    76    90  
   77    80    81    82    84    85    86    89   104   105   106   107    90    78    83    87    99   101   102   103  
   80    81    82    84   104    83   101   103  
   79    83    87    88    91   101   103   104    97    90  
   83    87   103    90  
   81    82    84    85    86    89    93   104    83   101   103  
   82    84    85    86    89   103  
   84    85    86    89   103  
   87    88    91    92    99   101   102   103   104   105   106   107    97    98    90  
   85    86    89    93    94    95    96   103  
   86    89    93  
   89    93  
   88    91    92    99   100   101   103   104    97    98    90  
   91    92    99   103    97    98    90  
   93    94    95    96  
   91    97   101   103   104  
   92    99   100   101   102   103    97    98  
   99   100   101    97  
   94    95    96  
   95    96  
   96  
    0  
   98    99   103  
    0  
  100   101   102   103   104  
  101   102   103  
  102   103   104   105   106   107  
  103   104  
  104   105   106   107  
  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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  100   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  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    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    89   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    89   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   275.000  1.510
   78    79   340.000  1.088
   78    83   260.000  1.509
   78    90   335.000  1.432
   83    87   275.000  1.510
   83   103   275.000  1.510
   83    90   335.000  1.432
   87    88   340.000  1.090
   87    91   317.000  1.510
   87    97   320.000  1.410
   91    92   340.000  1.080
   91    99   549.000  1.340
   99   100   340.000  1.080
   99   101   320.000  1.462
  101   102   570.000  1.229
  101   103   317.000  1.522
  103    76   268.000  1.529
  103   104   268.000  1.529
   76    77   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   97    98   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   320.000  1.410
   48    49   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    50    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    80.00000  120.01400
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    48    90.00000  110.39200
   42    47    50    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    52    50.00000  109.50000
   47    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    58.35000  112.70000
   50    55    59    58.35000  112.70000
   52    33    37    70.00000  112.02700
   52    50    51    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    57    58    37.50000  110.70000
   55    57    63    58.35000  112.70000
   55    57    89    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    58.35000  112.70000
   57    89    69    58.35000  112.70000
   57    89    84    58.35000  112.70000
   57    89    93    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    89    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    76    58.35000  112.70000
   69    89    84    58.35000  112.70000
   69    89    93    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    70.00000  112.37300
   71    76   103    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    80    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    78    79    40.00000  115.04500
   73    78    83    60.00000  120.94000
   73    78    90    80.00000  116.47100
   75    73    74    33.00000  107.80000
   78    73    74    45.00000  109.38400
   78    73    75    45.00000  109.38400
   78    83    87    60.00000  120.94000
   78    83   103    60.00000  120.94000
   78    83    90    15.00000   60.43100
   78    90    83    15.00000   59.14900
   83    78    79    37.50000  117.20000
   83    87    88    45.00000  109.38400
   83    87    91    70.00000  112.02700
   83    87    97    50.00000  109.50000
   83   103   101    63.00000  111.10000
   83   103    76    70.00000  112.37300
   83   103   104    70.00000  112.37300
   87    91    92    35.00000  117.00000
   87    91    99    70.00000  124.00000
   87    97    98    55.00000  108.50000
   91    87    88    35.00000  109.50000
   91    99   100    35.00000  120.00000
   91    99   101    65.00000  118.96000
   99    91    92    35.00000  120.00000
   99   101   102    80.00000  123.72100
   99   101   103    65.00000  118.62400
  101    99   100    40.00000  117.72500
  101   103    76    63.00000  111.10000
  101   103   104    63.00000  111.10000
  103    83    87    58.35000  112.70000
  103   101   102    80.00000  120.40000
  103    76    77    37.50000  110.70000
  103    76    80    58.35000  112.70000
  103   104   105    37.50000  110.70000
  103   104   106    37.50000  110.70000
  103   104   107    37.50000  110.70000
   76    71    72    37.50000  110.70000
   76    71    73    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    84    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    89    58.35000  112.70000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    89    93    58.35000  112.70000
   86    84    85    33.00000  107.80000
   89    57    58    37.50000  110.70000
   89    57    63    58.35000  112.70000
   89    69    70    37.50000  110.70000
   89    69    71    58.35000  112.70000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
  104   103    76    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
   97    87    88    35.00000  109.50000
   97    87    91    90.00000  110.39200
   90    78    79    50.00000  114.27700
   90    78    83    15.00000   60.43100
   90    83    87    80.00000  116.47100
   90    83   103    80.00000  116.47100
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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
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   88    87    97    98   0.19450  1.0 3.0
   91    87    97    98  -0.07800  1.0 1.0
   91    87    97    98  -0.21500 -1.0 2.0
   91    87    97    98  -0.03150  1.0 3.0
   91    99   101   102   1.00000 -1.0 2.0
   91    99   101   103  -0.33500  1.0 1.0
   91    99   101   103   1.06600 -1.0 2.0
   91    99   101   103  -0.14000  1.0 3.0
   92    91    99   100   7.00000 -1.0 2.0
   92    91    99   101   7.00000 -1.0 2.0
   99   101  -103    83   0.65300  1.0 1.0
   99   101  -103    83  -0.03850 -1.0 2.0
   99   101  -103    83   0.33900  1.0 3.0
   99   101   103    76   0.65300  1.0 1.0
   99   101   103    76  -0.03850 -1.0 2.0
   99   101   103    76   0.33900  1.0 3.0
   99   101   103   104   0.65300  1.0 1.0
   99   101   103   104  -0.03850 -1.0 2.0
   99   101   103   104   0.33900  1.0 3.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.04550  1.0 1.0
  100    99   101   103   0.83000 -1.0 2.0
  100    99   101   103  -0.04000  1.0 3.0
  101   103    76    71  -0.95700  1.0 1.0
  101   103    76    71  -0.18200 -1.0 2.0
  101   103    76    71   0.29450  1.0 3.0
  101   103    76    77  -0.11250  1.0 3.0
  101   103    76    80  -0.95700  1.0 1.0
  101   103    76    80  -0.18200 -1.0 2.0
  101   103    76    80   0.29450  1.0 3.0
  101   103   104   105  -0.11250  1.0 3.0
  101   103   104   106  -0.11250  1.0 3.0
  101   103   104   107  -0.11250  1.0 3.0
  102   101   103    83   0.30150 -1.0 2.0
  102   101   103    76   0.30150 -1.0 2.0
  102   101   103   104   0.30150 -1.0 2.0
  103    83    87    88   0.15000  1.0 3.0
  103    83   -87    91   0.34400  1.0 1.0
  103    83   -87    91   0.09450 -1.0 2.0
  103    83   -87    91   0.11100  1.0 3.0
  103    83    87    97   0.86500  1.0 1.0
  103    83    87    97  -0.17500 -1.0 2.0
  103    83    87    97   0.20800  1.0 3.0
  103    83   -90    78   0.06250  1.0 1.0
  103    83   -90    78  -0.01100 -1.0 2.0
  103    83   -90    78   0.28050  1.0 3.0
  103    76    80    81   0.15000  1.0 3.0
  103    76    80    82   0.15000  1.0 3.0
  103    76    80    84   0.56750  1.0 1.0
  103    76    80    84  -0.07550 -1.0 2.0
  103    76    80    84   0.20000  1.0 3.0
   76    71    73    74   0.15000  1.0 3.0
   76    71    73    75   0.15000  1.0 3.0
   76    71   -73    78   0.47050  1.0 1.0
   76    71   -73    78   0.03900 -1.0 2.0
   76    71   -73    78   0.20100  1.0 3.0
   76   103   104   105   0.15000  1.0 3.0
   76   103   104   106   0.15000  1.0 3.0
   76   103   104   107   0.15000  1.0 3.0
   76    80    84    85   0.15000  1.0 3.0
   76    80    84    86   0.15000  1.0 3.0
   76    80    84    89   0.56750  1.0 1.0
   76    80    84    89  -0.07550 -1.0 2.0
   76    80    84    89   0.20000  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    84   0.15000  1.0 3.0
   80    84    89    57   0.56750  1.0 1.0
   80    84    89    57  -0.07550 -1.0 2.0
   80    84    89    57   0.20000  1.0 3.0
   80    84   -89    69   0.56750  1.0 1.0
   80    84   -89    69  -0.07550 -1.0 2.0
   80    84   -89    69   0.20000  1.0 3.0
   80    84    89    93   0.56750  1.0 1.0
   80    84    89    93  -0.07550 -1.0 2.0
   80    84    89    93   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    86   0.15000  1.0 3.0
   81    80    84    89   0.15000  1.0 3.0
   82    80    84    85   0.15000  1.0 3.0
   82    80    84    86   0.15000  1.0 3.0
   82    80    84    89   0.15000  1.0 3.0
   84    89    93    94   0.15000  1.0 3.0
   84    89    93    95   0.15000  1.0 3.0
   84    89    93    96   0.15000  1.0 3.0
   85    84    89    57   0.15000  1.0 3.0
   85    84    89    69   0.15000  1.0 3.0
   85    84    89    93   0.15000  1.0 3.0
   86    84    89    57   0.15000  1.0 3.0
   86    84    89    69   0.15000  1.0 3.0
   86    84    89    93   0.15000  1.0 3.0
   89    57    63    64   0.15000  1.0 3.0
   89    57    63    65   0.15000  1.0 3.0
   89    57   -63    66   0.56750  1.0 1.0
   89    57   -63    66  -0.07550 -1.0 2.0
   89    57   -63    66   0.20000  1.0 3.0
   89    69    71    72   0.15000  1.0 3.0
   89    69    71    73   0.56750  1.0 1.0
   89    69    71    73  -0.07550 -1.0 2.0
   89    69    71    73   0.20000  1.0 3.0
   89    69   -71    76   0.56750  1.0 1.0
   89    69   -71    76  -0.07550 -1.0 2.0
   89    69   -71    76   0.20000  1.0 3.0
  104   103    76    71   0.56750  1.0 1.0
  104   103    76    71  -0.07550 -1.0 2.0
  104   103    76    71   0.20000  1.0 3.0
  104   103    76    77   0.15000  1.0 3.0
  104   103    76    80   0.56750  1.0 1.0
  104   103    76    80  -0.07550 -1.0 2.0
  104   103    76    80   0.20000  1.0 3.0
   97    87    91    92   0.00000  1.0 1.0
   97    87    91    99   0.67800  1.0 1.0
   97    87    91    99   0.47050 -1.0 2.0
   97    87    91    99  -0.62500  1.0 3.0
   90    78   -83    87   0.02550  1.0 1.0
   90    78   -83    87  -0.02600 -1.0 2.0
   90    78   -83    87   1.20400  1.0 3.0
   90    78   -83   103   0.02550  1.0 1.0
   90    78   -83   103  -0.02600 -1.0 2.0
   90    78   -83   103   1.20400  1.0 3.0
   90    83    87    88   0.23400  1.0 3.0
   90    83    87    91   0.61850  1.0 1.0
   90    83    87    91  -0.22750 -1.0 2.0
   90    83    87    91   0.15300  1.0 3.0
   90    83    87    97   3.69350  1.0 1.0
   90    83    87    97  -1.82950 -1.0 2.0
   90    83   103   101  -0.09450  1.0 1.0
   90    83   103   101  -1.12950 -1.0 2.0
   90    83   103   101   0.54000  1.0 3.0
   90    83   103    76   0.02550  1.0 1.0
   90    83   103    76  -0.02600 -1.0 2.0
   90    83   103    76   1.20400  1.0 3.0
   90    83   103   104   0.02550  1.0 1.0
   90    83   103   104  -0.02600 -1.0 2.0
   90    83   103   104   1.20400  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   0.56750  1.0 1.0
   59    55    57    63  -0.07550 -1.0 2.0
   59    55    57    63   0.20000  1.0 3.0
   59    55    57    89   0.56750  1.0 1.0
   59    55    57    89  -0.07550 -1.0 2.0
   59    55    57    89   0.20000  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   45    44    48    49   0.19450  1.0 3.0
   46    44    48    49   0.19450  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    50   0.56750  1.0 1.0
   38    33    52    50  -0.07550 -1.0 2.0
   38    33    52    50   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    54   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   43    47    42    37   1.10000 -1.0 2.0
   87    92    91    99   1.10000 -1.0 2.0
  101   100    99    91   1.10000 -1.0 2.0
   99   103   101   102  10.50000 -1.0 2.0
END
