* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    217    350     655
    1     0 S   NP   _N1_     1    28.85746    96.07499   -16.94573
    2     1 S   H    _HN1     2     1.02770    71.49099   -49.38075
    3     1 S   H    _H1_     3     1.02945    99.59188    57.00166
    4     1 S   H    _H2_     4     1.02837    42.02589   161.52909
    5     1 S   CT   _CA1     5     1.50299   145.64692  -152.23224
    6     5 S   HC   _HA1     6     1.09597   104.97473    27.90775
    7     5 S   CO3  _C1_     7     1.53843   112.77578   -91.26770
    8     7 S   O2Z  _O11     8     1.26336   115.04721   -28.61755
    9     7 S   O2Z  _O12     9     1.26250   115.04464   150.29299
   10     5 S   CT   _CB1    10     1.53172   107.24699   145.36004
   11    10 S   HC   HB11    11     1.09796   108.78950   -51.17555
   12    10 S   HC   HB12    12     1.09797   110.38192    65.05249
   13    10 S   CT   _CG1    13     1.53064   113.13370  -172.64932
   14    13 S   HC   HG11    14     1.09593   110.05107   -70.82643
   15    13 S   HC   HG12    15     1.09657   110.17226    48.27094
   16    13 S   C    _CD1    16     1.51948   112.68611   168.02964
   17    16 S   O    _OE1    17     1.22723   123.20063   -11.90109
   18    16 S   N    _N2_    18     1.38656   111.71585   169.39967
   19    18 S   H    _HN2    19     1.01596   118.92821    -1.34756
   20    18 S   CT1  _CA2    20     1.46279   123.54264   177.62677
   21    20 S   HC   _HA2    21     1.09750   109.17090   -16.74207
   22    20 S   C    _C2_    22     1.53508   108.02184  -132.02026
   23    22 S   O    _O2_    23     1.23004   122.32183  -145.93745
   24    20 S   CT   _CB2    32     1.53447   111.89397   105.66843
   25    24 S   HC   HB21    33     1.09471   110.26599    54.37721
   26    24 S   HC   HB22    34     1.09533   110.40762   172.28322
   27    22 S   N    _N3_    24     1.38537   113.30139    41.42845
   28    27 S   H    _HN3    25     1.01535   118.89465    -0.69633
   29    24 S   S    _SG2    35     1.82732   111.79742   -69.50106
   30    27 S   CT   _CA3    26     1.45459   123.55272   175.10431
   31    30 S   HC   HA31    27     1.09515   109.35386    21.90504
   32    30 S   HC   HA32    28     1.09498   107.08788   138.93890
   33    29 S   CT   _C27    36     1.84160   100.51584   134.52826
   34    33 S   HC   _H8_    37     1.09609   106.97624    48.31419
   35    30 S   CO3  _C3_    29     1.52924   113.05408  -101.64944
   36    35 S   O2Z  _O31    30     1.26410   115.39436   -44.26711
   37    35 S   O2Z  _O32    31     1.26353   114.98615   136.64921
   38    33 S   CT   _C28    38     1.53518   109.47710   165.38038
   39    38 S   HC   _H40    39     1.09814   109.91700   -53.38241
   40    38 S   HC   _H41    40     1.09762   108.71367  -167.98448
   41    33 S   CT   _C26   101     1.53267   112.70494   -72.05416
   42    41 S   HC   _H38   102     1.09741   108.66947   170.88223
   43    41 S   HC   _H39   103     1.09565   111.22437    55.19013
   44    38 S   CM   _C23    41     1.51611   113.08719    71.86523
   45    44 S   CM   _C22    42     1.34465   119.94431  -129.10015
   46    45 S   HC   _H35    43     1.08755   119.54103     0.70471
   47    45 S   CT   _C21    44     1.49526   124.82183  -179.78694
   48    47 S   HC   _H33    45     1.09673   108.70758   134.38487
   49    47 S   HC   _H34    46     1.09724   107.65324  -110.35987
   50    47 S   CT   _C20    47     1.53674   113.92212    12.60123
   51    50 S   HC   _H7_    48     1.09592   107.68739    77.85097
   52    50 S   CT   _C19    49     1.55265   110.16784   -41.59486
   53    52 S   HC   _H6_    50     1.10258   105.78446   -56.98545
   54    52 S   CT   _C18    51     1.54833   112.26180  -171.41373
   55    54 S   HC   _H31    52     1.09380   110.67344   -73.30194
   56    54 S   HC   _H32    53     1.09468   109.55378   169.95940
   57    44 S   CT   _C24    97     1.53344   117.22138    50.29023
   58    54 S   CT   _C17    54     1.53796   113.76223    48.97654
   59    58 S   HC   _H29    55     1.09757   108.73940    68.00799
   60    58 S   HC   _H30    56     1.09331   108.14657  -176.85596
   61    57 S   CT   _C25    98     1.55728   109.72802   -44.86400
   62    61 S   HC   _H36    99     1.09624   109.46155   -76.60939
   63    61 S   HC   _H37   100     1.09709   110.16952   167.51723
   64    57 S   CT   _C29   104     1.54720   107.86340    74.02283
   65    64 S   HC   _H42   105     1.09470   111.75858  -172.84637
   66    64 S   HC   _H43   106     1.09492   111.80016    66.14020
   67    64 S   HC   _H44   107     1.09522   112.24199   -53.84350
   68    58 S   CT   _C16    57     1.53914   111.88910   -53.84974
   69    50 S   CT   _C15    58     1.53399   110.75181  -162.63719
   70    69 S   HC   _H5_    59     1.10357   106.32356    61.28786
   71    68 S   CT   _C30    93     1.54734   110.22283   -66.30224
   72    71 S   HC   _H45    94     1.09454   112.41914  -176.52565
   73    71 S   HC   _H46    95     1.09312   112.77070    62.80284
   74    71 S   HC   _H47    96     1.09508   110.83737   -56.67801
   75    69 S   CT   _C14    60     1.52100   118.12398   -57.39275
   76    75 S   HC   _H27    61     1.09478   112.11458    77.11521
   77    75 S   HC   _H28    62     1.09575   111.54525   -43.58314
   78    75 S   CT   _C13    63     1.53486   103.89200  -162.60919
   79    78 S   HC   _H25    64     1.09597   109.26333   129.89696
   80    78 S   HC   _H26    65     1.09574   110.70024  -111.94829
   81    68 S   CT   _C12    66     1.56079   115.83066   166.59212
   82    81 S   HC   _H4_    67     1.09951   107.01978   -41.45520
   83    81 S   CT   _C5_    68     1.55276   119.25158    80.84722
   84    83 S   HC   _H3_    69     1.09796   108.37045    58.38173
   85    83 S   CT   _C4_    70     1.53180   112.76136   -59.80843
   86    85 S   HC   _H9_    71     1.09464   111.72105   -47.63885
   87    85 S   HC   _H10    72     1.09272   111.06012    73.48533
   88    85 S   HC   _H11    73     1.09556   111.11310  -168.37702
   89    83 S   CT   _C6_    74     1.55166   112.98534   174.94894
   90    89 S   HC   _H12    75     1.09829   108.32492  -176.05062
   91    89 S   HC   _H13    76     1.09659   109.53426   -61.53176
   92    89 S   CT   _C7_    77     1.53389   115.23451    61.85752
   93    92 S   HC   _H14    78     1.09534   110.11062    57.55864
   94    92 S   HC   _H15    79     1.09371   109.56541   -60.58151
   95    92 S   CT   _C8_    80     1.53333   110.96876   178.52674
   96    95 S   HC   _H16    81     1.09756   109.34956    61.97934
   97    95 S   HC   _H17    82     1.09770   108.67100   -54.05169
   98    95 S   CT   _C9_    83     1.54009   113.47435  -175.12030
   99    98 S   HC   _H18    84     1.09738   108.70391    56.36560
  100    98 S   CT   _C10    85     1.52941   112.49663   -63.47895
  101   100 S   HC   _H19    86     1.09522   111.25781   -55.82274
  102   100 S   HC   _H20    87     1.09546   110.75267  -175.88982
  103   100 S   HC   _H21    88     1.09410   111.38532    65.00067
  104    98 S   CT   _C11    89     1.53075   109.78961   174.06390
  105   104 S   HC   _H22    90     1.09539   111.28446    61.96619
  106   104 S   HC   _H23    91     1.09521   110.83615  -177.78000
  107   104 S   HC   _H24    92     1.09516   110.83616   -58.31165
  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  10   5   4   3
  13   8   2   1   1  13   5   4   9   5   4  17  11   5  12   5
   4  19   8  19   8  12   6   5   9  14   5   4   6   2   1   3
   2   1   1  18  14   6   8   3   2   1   8   5   4   8   4   3
  11   4  12   8   7   3   2   1   9   5   4   9   5   4  12   5
   4   9   8   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    61    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    57    61    62    63    41    42    43  
   38    39    40    44    61    41    42    43  
   36    37  
   37  
    0  
   39    40    44    45    46    47    52    57    61    41    42    43    64  
   40    44    45    57    41  
   44    45    57    41  
   42    43    64    44    52    57    61    62    63  
   43    57    61    62    63  
   57    61    62    63  
   45    46    47    48    49    50    52    53    54    57    61    62    63    64    65    66    67  
   46    47    48    49    50    51    52    69    57    61    64  
   47    48    49    50    57  
   48    49    50    51    52    53    54    68    69    70    75    57  
   49    50    51    52    69  
   50    51    52    69  
   51    52    53    54    55    56    58    68    69    70    75    76    77    78    81    71    57    61    64  
   52    53    54    68    69    70    75    57  
   53    54    55    56    58    59    60    68    69    70    75    57    61    62    63    64    65    66    67  
   54    55    56    58    69    57    61    64  
   55    56    58    59    60    68    69    81    71    57    61    64  
   56    58    59    60    68    57  
   58    59    60    68    57  
   61    62    63    64    65    66    67    58    69  
   59    60    68    69    70    75    78    81    82    83    71    72    73    74  
   60    68    69    81    71  
   68    69    81    71  
   62    63    64    65    66    67  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    75    76    77    78    79    80    81    82    83    84    85    89    71    72    73    74  
   70    75    76    77    78    79    80    81    82    83    71    72    73    74  
   75    76    77    78    81    71  
   72    73    74    75    78    81    82    83  
   73    74    81  
   74    81  
   81  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    89  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86    87    88    89    90    91    92  
   83    84    85    89  
   84    85    86    87    88    89    90    91    92    93    94    95  
   85    86    87    88    89    90    91    92  
   86    87    88    89    90    91    92  
   87    88    89  
   88    89  
   89  
   90    91    92    93    94    95    96    97    98  
   91    92    93    94    95  
   92    93    94    95  
   93    94    95    96    97    98    99   100   104  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100   101   102   103   104   105   106   107  
   97    98    99   100   104  
   98    99   100   104  
   99   100   101   102   103   104   105   106   107  
  100   101   102   103   104   105   106   107  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   549.000  1.340
   44    57   317.000  1.510
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    69   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    68   268.000  1.529
   68    69   268.000  1.529
   68    81   268.000  1.529
   68    71   268.000  1.529
   69    70   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   268.000  1.529
   98   104   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    61   268.000  1.529
   57    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    70.00000  112.02700
   33    41    61    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    70.00000  124.00000
   38    44    57    65.00000  117.92700
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    45    46    35.00000  120.00000
   44    45    47    70.00000  124.00000
   44    57    52    70.00000  112.02700
   44    57    61    70.00000  112.02700
   44    57    64    70.00000  112.02700
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    70.00000  112.02700
   47    45    46    35.00000  117.00000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    69    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    58.35000  112.70000
   50    52    57    58.35000  112.70000
   50    69    68    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    75    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    57    61    58.35000  112.70000
   52    57    64    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    68    69    58.35000  112.70000
   58    68    81    58.35000  112.70000
   58    68    71    58.35000  112.70000
   60    58    59    33.00000  107.80000
   68    58    59    37.50000  110.70000
   68    58    60    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    75    58.35000  112.70000
   68    81    78    58.35000  112.70000
   68    81    82    37.50000  110.70000
   68    81    83    58.35000  112.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    58.35000  112.70000
   75    69    70    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    68    69    58.35000  112.70000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    58.35000  112.70000
   81    83    89    58.35000  112.70000
   83    81    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    37.50000  110.70000
   83    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    37.50000  110.70000
   83    89    92    58.35000  112.70000
   85    83    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    83    84    37.50000  110.70000
   89    83    85    58.35000  112.70000
   89    92    93    37.50000  110.70000
   89    92    94    37.50000  110.70000
   89    92    95    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    58.35000  112.70000
   95    98   104    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   100   101    37.50000  110.70000
   98   100   102    37.50000  110.70000
   98   100   103    37.50000  110.70000
   98   104   105    37.50000  110.70000
   98   104   106    37.50000  110.70000
   98   104   107    37.50000  110.70000
  100    98    99    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    98    99    37.50000  110.70000
  104    98   100    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
   71    68    69    58.35000  112.70000
   71    68    81    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    44    45    70.00000  124.00000
   57    52    53    37.50000  110.70000
   57    52    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    41    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   61    41    42    37.50000  110.70000
   61    41    43    37.50000  110.70000
   63    61    62    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    61    62    37.50000  110.70000
   41    61    63    37.50000  110.70000
   43    41    42    33.00000  107.80000
   64    57    61    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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
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   92    95    98   100   0.56750  1.0 1.0
   92    95    98   100  -0.07550 -1.0 2.0
   92    95    98   100   0.20000  1.0 3.0
   92    95    98   104   0.56750  1.0 1.0
   92    95    98   104  -0.07550 -1.0 2.0
   92    95    98   104   0.20000  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95    97   0.15000  1.0 3.0
   93    92    95    98   0.15000  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95    97   0.15000  1.0 3.0
   94    92    95    98   0.15000  1.0 3.0
   95    98   100   101   0.15000  1.0 3.0
   95    98   100   102   0.15000  1.0 3.0
   95    98   100   103   0.15000  1.0 3.0
   95    98   104   105   0.15000  1.0 3.0
   95    98   104   106   0.15000  1.0 3.0
   95    98   104   107   0.15000  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   104   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   104   0.15000  1.0 3.0
   99    98   100   101   0.15000  1.0 3.0
   99    98   100   102   0.15000  1.0 3.0
   99    98   100   103   0.15000  1.0 3.0
   99    98   104   105   0.15000  1.0 3.0
   99    98   104   106   0.15000  1.0 3.0
   99    98   104   107   0.15000  1.0 3.0
  100    98   104   105   0.15000  1.0 3.0
  100    98   104   106   0.15000  1.0 3.0
  100    98   104   107   0.15000  1.0 3.0
  104    98   100   101   0.15000  1.0 3.0
  104    98   100   102   0.15000  1.0 3.0
  104    98   100   103   0.15000  1.0 3.0
   71    68    69    50   0.56750  1.0 1.0
   71    68    69    50  -0.07550 -1.0 2.0
   71    68    69    50   0.20000  1.0 3.0
   71    68    69    70   0.15000  1.0 3.0
   71    68    69    75   0.56750  1.0 1.0
   71    68    69    75  -0.07550 -1.0 2.0
   71    68    69    75   0.20000  1.0 3.0
   71    68    81    78   0.56750  1.0 1.0
   71    68    81    78  -0.07550 -1.0 2.0
   71    68    81    78   0.20000  1.0 3.0
   71    68    81    82   0.15000  1.0 3.0
   71    68    81    83   0.56750  1.0 1.0
   71    68    81    83  -0.07550 -1.0 2.0
   71    68    81    83   0.20000  1.0 3.0
   57    44    45    46   7.00000 -1.0 2.0
   57    44   -45    47   7.00000 -1.0 2.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    58   0.56750  1.0 1.0
   57    52    54    58  -0.07550 -1.0 2.0
   57    52    54    58   0.20000  1.0 3.0
   57    61   -41    33   0.56750  1.0 1.0
   57    61   -41    33  -0.07550 -1.0 2.0
   57    61   -41    33   0.20000  1.0 3.0
   57    61    41    42   0.15000  1.0 3.0
   57    61    41    43   0.15000  1.0 3.0
   61    57    64    65   0.15000  1.0 3.0
   61    57    64    66   0.15000  1.0 3.0
   61    57    64    67   0.15000  1.0 3.0
   62    61    41    33   0.15000  1.0 3.0
   62    61    41    42   0.15000  1.0 3.0
   62    61    41    43   0.15000  1.0 3.0
   63    61    41    33   0.15000  1.0 3.0
   63    61    41    42   0.15000  1.0 3.0
   63    61    41    43   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    44   0.34400  1.0 1.0
   41    33   -38    44   0.09450 -1.0 2.0
   41    33   -38    44   0.11100  1.0 3.0
   64    57    61    62   0.15000  1.0 3.0
   64    57    61    63   0.15000  1.0 3.0
   64    57    61    41   0.56750  1.0 1.0
   64    57    61    41  -0.07550 -1.0 2.0
   64    57    61    41   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
   36    30    35    37  10.50000 -1.0 2.0
   38    57    44    45   1.10000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
END
