* LIGAND DATABASE FILE (OPLS2005)
*
001     107   112    218    363     654
    1     0 S   NP   _N1_     1    30.03106    97.91102   -16.14522
    2     1 S   H    _HN1     2     1.02790    50.07980  -107.21477
    3     1 S   H    _H1_     3     1.02951    85.90401    10.72209
    4     1 S   H    _H2_     4     1.02849    72.73605   120.15515
    5     1 S   CT   _CA1     5     1.50120   160.16172  -136.40431
    6     5 S   HC   _HA1     6     1.09583   105.27938   -36.82907
    7     5 S   CO3  _C1_     7     1.53924   111.83651  -156.88354
    8     7 S   O2Z  _O11     8     1.26389   115.20006   -57.13271
    9     7 S   O2Z  _O12     9     1.26221   114.78297   121.76177
   10     5 S   CT   _CB1    10     1.53060   107.36184    80.75844
   11    10 S   HC   HB11    11     1.09822   109.55511   -50.53965
   12    10 S   HC   HB12    12     1.09830   110.36574    65.91386
   13    10 S   CT   _CG1    13     1.53096   112.64602  -171.66836
   14    13 S   HC   HG11    14     1.09495   110.36893   -53.83138
   15    13 S   HC   HG12    15     1.09585   110.39339    65.10528
   16    13 S   C    _CD1    16     1.51824   111.10305  -175.26596
   17    16 S   O    _OE1    17     1.22820   122.56079   -30.47018
   18    16 S   N    _N2_    18     1.38483   112.41851   150.37625
   19    18 S   H    _HN2    19     1.01605   119.38322     1.55469
   20    18 S   CT1  _CA2    20     1.46214   123.28212  -176.79716
   21    20 S   HC   _HA2    21     1.09724   109.38659   -11.06377
   22    20 S   C    _C2_    22     1.53439   108.73152  -126.86682
   23    22 S   O    _O2_    23     1.23036   122.18401  -148.58457
   24    20 S   CT   _CB2    32     1.53518   111.23217   110.83612
   25    24 S   HC   HB21    33     1.09362   109.42800    57.45134
   26    24 S   HC   HB22    34     1.09525   110.24490   175.31115
   27    22 S   N    _N3_    24     1.38499   113.49587    39.04654
   28    27 S   H    _HN3    25     1.01516   118.87870    -0.82945
   29    24 S   S    _SG2    35     1.83451   111.71525   -65.91136
   30    27 S   CT   _CA3    26     1.45432   123.41723   175.14812
   31    30 S   HC   HA31    27     1.09527   109.18512    25.44580
   32    30 S   HC   HA32    28     1.09495   107.13595   142.42907
   33    29 S   CT   _C22    36     1.86363   101.99861   142.09789
   34    30 S   CO3  _C3_    29     1.52918   113.15535   -98.00364
   35    34 S   O2Z  _O31    30     1.26400   115.42037   -44.38221
   36    34 S   O2Z  _O32    31     1.26359   114.97894   136.57920
   37    33 S   CM   _C6_    37     1.54168   111.56144   -59.52858
   38    33 S   CT   _C26   104     1.54455   105.85103  -179.61641
   39    38 S   HC   _H57   105     1.09716   111.71476   -64.24191
   40    38 S   HC   _H58   106     1.09636   111.19014   176.30880
   41    38 S   HC   _H59   107     1.09610   112.56097    55.97741
   42    37 S   CMA  _C7_    38     1.37289   122.94003   121.99842
   43    42 S   OM   _O29    39     1.26777   124.94087  -176.06617
   44    37 S   CT   _C30    99     1.52725   116.65235   -57.73884
   45    44 S   HC   _H69   100     1.09471   112.72630   156.66371
   46    44 S   HC   _H70   101     1.09143   111.79822    37.19971
   47    42 S   OS   _O33    40     1.40756   117.04484     3.82285
   48    44 S   OH   _O36   102     1.42324   110.09381   -82.66430
   49    48 S   HO   _H73   103     0.97563   106.36047  -177.48277
   50    47 S   CT   _C21    41     1.43416   116.95218    28.71113
   51    50 S   HC   _H56    42     1.09660   107.56337    56.45185
   52    33 S   CT   _C14    43     1.54345   107.81808    64.59289
   53    52 S   HC   _H48    44     1.09530   110.86685    80.07773
   54    52 S   HC   _H49    45     1.09556   110.83538   -38.25781
   55    50 S   CT   _C31    46     1.55971   108.01654   173.12805
   56    55 S   HC   _H71    47     1.09856   105.73749   -54.75087
   57    55 S   CT   _C19    48     1.55546   112.44378  -173.15802
   58    57 S   HC   _H54    49     1.09933   107.56509   -63.33257
   59    55 S   CT   _C29    95     1.53542   111.16847    59.93091
   60    59 S   HC   _H66    96     1.09471   111.53031    78.65253
   61    59 S   HC   _H67    97     1.09476   111.83983   -42.33311
   62    59 S   HC   _H68    98     1.09260   110.95828  -160.47296
   63    57 S   CT   _C11    50     1.55612   112.17447    54.26884
   64    63 S   HC   _H42    51     1.09600   111.98156    30.55117
   65    63 S   HC   _H43    52     1.09591   110.28604   -89.14485
   66    63 S   CT   _C9_    53     1.53414   107.17621   150.29389
   67    66 S   HC   _H38    54     1.09480   111.09747   129.28229
   68    66 S   HC   _H39    55     1.09578   110.50315  -111.36653
   69    66 S   CT   _C17    56     1.52191   104.00276     8.43917
   70    69 S   HC   _H52    57     1.10358   105.76226    78.48552
   71    69 S   CT   _C18    58     1.53728   118.26797  -162.68838
   72    71 S   HC   _H53    59     1.09633   109.56834    62.87694
   73    71 S   CT   _C13    60     1.53188   109.99863   -56.37441
   74    73 S   HC   _H46    61     1.09687   110.31349   -54.38693
   75    73 S   HC   _H47    62     1.09597   110.07931    63.32756
   76    71 S   CT   _C16    75     1.55885   109.47338  -177.54632
   77    76 S   HC   _H51    76     1.10188   105.53287    62.91701
   78    73 S   C3T  _C20    63     1.48205   112.41412  -175.75942
   79    78 S   HC   _H55    64     1.08169   112.78446  -178.71824
   80    76 S   CT   _C10    77     1.55844   110.21386   -50.90548
   81    80 S   HC   _H40    78     1.09473   110.12271   -71.31229
   82    80 S   HC   _H41    79     1.09409   110.50697   171.95265
   83    78 S   C3T  _C25    65     1.51343   121.78069    27.88093
   84    80 S   CT   _C12    80     1.53807   114.28663    50.56949
   85    84 S   HC   _H44    81     1.09755   108.78976    66.90109
   86    84 S   HC   _H45    82     1.09332   108.05446  -177.97513
   87    83 S   CT   _C15    66     1.51287   117.75524   159.25350
   88    87 S   HC   _H50    67     1.09679   109.03575    -5.90896
   89    57 S   CT   _C24    83     1.56152   119.41297   174.54396
   90    78 S   O3T  _O34    94     1.42376   114.64205   -39.73477
   91    87 S   CM   _C5_    68     1.48955   114.68806  -126.81913
   92    91 S   HC   _H37    69     1.08684   117.44649   166.22655
   93    89 S   CT   _C28    84     1.54770   110.89056   -45.86231
   94    93 S   HC   _H63    85     1.09457   112.41028   -46.53355
   95    93 S   HC   _H64    86     1.09294   112.85645  -167.19733
   96    93 S   HC   _H65    87     1.09500   110.85527    73.28248
   97    87 S   OH   _O35    92     1.42768   109.85474   110.76893
   98    97 S   HO   _H72    93     0.97227   107.80589  -174.95015
   99    91 S   CM   _C4_    70     1.33321   123.81901   -12.71527
  100    99 S   HC   _H36    71     1.08449   121.02755   178.91142
  101    99 S   CO4  _C8_    72     1.48204   121.64488    -2.40607
  102   101 S   O    _O30    73     1.23229   116.75170   179.22242
  103    83 S   CT   _C23    74     1.54023   121.05841    -1.49763
  104   103 S   CT   _C27    88     1.54481   108.75685  -121.65769
  105   104 S   HC   _H60    89     1.09532   111.27782    68.72753
  106   104 S   HC   _H61    90     1.09514   111.67448   -51.17774
  107   104 S   HC   _H62    91     1.09546   112.07348  -169.62087
  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
