* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    224    365     682
    1     0 S   NP   _N1_     1    28.03739    97.11388   -22.12903
    2     1 S   H    _HN1     2     1.02777    98.41555  -102.27366
    3     1 S   H    _H1_     3     1.02958    73.23484     4.44003
    4     1 S   H    _H2_     4     1.02835    40.49689   149.96577
    5     1 S   CT   _CA1     5     1.50129   145.02024   106.21816
    6     5 S   HC   _HA1     6     1.09575   105.21977    87.86599
    7     5 S   CO3  _C1_     7     1.53789   112.36377   -32.33169
    8     7 S   O2Z  _O11     8     1.26365   114.99906   -43.94036
    9     7 S   O2Z  _O12     9     1.26237   114.93154   135.17287
   10     5 S   CT   _CB1    10     1.53098   107.42063  -154.22326
   11    10 S   HC   HB11    11     1.09827   109.33761   -50.52949
   12    10 S   HC   HB12    12     1.09817   110.42275    66.02725
   13    10 S   CT   _CG1    13     1.53014   112.66984  -171.60455
   14    13 S   HC   HG11    14     1.09596   110.48400   -64.21257
   15    13 S   HC   HG12    15     1.09656   109.93041    54.98978
   16    13 S   C    _CD1    16     1.51840   112.31958   175.36113
   17    16 S   O    _OE1    17     1.22748   123.29138    -0.08623
   18    16 S   N    _N2_    18     1.38544   111.69066   179.87646
   19    18 S   H    _HN2    19     1.01558   119.02319     4.62436
   20    18 S   CT1  _CA2    20     1.45877   122.93530   178.09320
   21    20 S   HC   _HA2    21     1.09726   108.99182    22.78945
   22    20 S   C    _C2_    22     1.52895   106.82155   -94.32200
   23    22 S   O    _O2_    23     1.22994   122.96410   -28.72323
   24    20 S   CT   _CB2    32     1.53398   112.21559   145.95283
   25    24 S   HC   HB21    33     1.09460   109.33734    54.25240
   26    24 S   HC   HB22    34     1.09230   109.55142   172.61108
   27    22 S   N    _N3_    24     1.38481   112.64649   154.00538
   28    27 S   H    _HN3    25     1.01663   120.38672    -1.74316
   29    24 S   S    _SG2    35     1.83027   110.35049   -65.86517
   30    27 S   CT   _CA3    26     1.45354   122.41102   178.65143
   31    30 S   HC   HA31    27     1.09569   107.64190   -59.11044
   32    30 S   HC   HA32    28     1.09567   107.75149    57.18825
   33    29 S   CT   _C23    36     1.93898   103.43015  -170.91983
   34    30 S   CO3  _C3_    29     1.52877   114.40352   179.04715
   35    34 S   O2Z  _O31    30     1.26322   116.08960    -1.55419
   36    34 S   O2Z  _O32    31     1.26448   114.39311   178.48135
   37    33 S   CT   _C28    37     1.55601   106.99396   -48.84363
   38    37 S   HC   _H40    38     1.09695   110.83656   176.73469
   39    37 S   HC   _H41    39     1.09668   111.35729    63.04867
   40    33 S   CT   _C22    98     1.58241   105.29138    72.45508
   41    40 S   OM   _O34    99     1.32426   111.48333  -171.53223
   42    40 S   HC   _H8_   100     1.09759   106.93912   -44.89429
   43    37 S   CT   _C27    40     1.53524   113.67086   -61.41614
   44    43 S   HC   _H9_    41     1.09452   110.80225    70.90447
   45    43 S   CT   _C26    42     1.52565   112.90589   -51.58499
   46    45 S   HC   _H38    43     1.09729   109.65809   -75.26709
   47    45 S   HC   _H39    44     1.09761   109.13873   170.84058
   48    43 S   OH   _O33   109     1.42756   109.32567  -172.15712
   49    48 S   HO   _H42   110     0.97240   107.43696   -55.91085
   50    45 S   CT   _C25    45     1.53229   113.76310    48.45584
   51    50 S   HC   _H36    46     1.09554   109.33222    72.40937
   52    50 S   HC   _H37    47     1.09689   107.30017  -174.05967
   53    33 S   CT   _C24    48     1.61102   108.24063  -166.51557
   54    53 S   CT   _C19    49     1.57949   109.57305   -61.95238
   55    54 S   HC   _H6_    50     1.09784   107.55508    61.35530
   56    53 S   CT   _C29   105     1.56438   113.21539   176.62780
   57    56 S   HC   _H43   106     1.09095   113.58989    74.00837
   58    56 S   HC   _H44   107     1.09252   112.98998   -47.98646
   59    56 S   HC   _H45   108     1.09636   110.99360  -166.66076
   60    54 S   CT   _C18    51     1.55113   114.57984   176.46033
   61    60 S   HC   _H32    52     1.09409   110.67687    56.85596
   62    60 S   HC   _H33    53     1.09559   109.81953   -60.33616
   63    60 S   CT   _C17    54     1.54031   113.41026   179.57572
   64    63 S   HC   _H30    55     1.09770   108.62792    67.97222
   65    63 S   HC   _H31    56     1.09351   108.08366  -177.02119
   66    63 S   CT   _C16    57     1.53884   112.24344   -53.84333
   67    66 S   CT   _C15    58     1.55100   106.69377    56.08923
   68    67 S   HC   _H5_    59     1.10328   108.14309    56.18540
   69    66 S   CT   _C30   101     1.54801   109.90627   -67.77661
   70    69 S   HC   _H46   102     1.09445   112.44947  -177.68548
   71    69 S   HC   _H47   103     1.09300   112.82428    61.44611
   72    69 S   HC   _H48   104     1.09510   110.83881   -57.82094
   73    67 S   CT   _C14    60     1.52162   103.85573   168.30688
   74    73 S   HC   _H28    61     1.09483   112.09045  -155.29287
   75    73 S   HC   _H29    62     1.09576   111.56546    83.99169
   76    54 S   CT   _C20    93     1.56127   111.94456   -55.65652
   77    76 S   HC   _H7_    94     1.09380   109.81369   -64.88277
   78    73 S   CT   _C13    63     1.53433   104.00653   -35.09563
   79    78 S   HC   _H26    64     1.09599   109.24475   129.94308
   80    78 S   HC   _H27    65     1.09575   110.70119  -111.91824
   81    76 S   CT   _C21    95     1.54326   112.37755    54.12920
   82    81 S   HC   _H34    96     1.09854   108.17504    71.43416
   83    81 S   HC   _H35    97     1.10014   109.32115  -175.15936
   84    66 S   CT   _C12    66     1.56139   115.87688   165.51915
   85    84 S   HC   _H4_    67     1.09949   107.01221   -41.90942
   86    84 S   CT   _C5_    68     1.55302   119.33463    80.45296
   87    86 S   HC   _H3_    69     1.09796   108.37040    58.24358
   88    86 S   CT   _C4_    70     1.53169   112.77241   -59.96645
   89    88 S   HC   _H10    71     1.09457   111.71171   -47.71736
   90    88 S   HC   _H11    72     1.09267   111.07624    73.41611
   91    88 S   HC   _H12    73     1.09557   111.11028  -168.44157
   92    86 S   CT   _C6_    74     1.55179   113.01275   174.77820
   93    92 S   HC   _H13    75     1.09829   108.32417  -176.10258
   94    92 S   HC   _H14    76     1.09660   109.53366   -61.59994
   95    92 S   CT   _C7_    77     1.53386   115.25149    61.79735
   96    95 S   HC   _H15    78     1.09535   110.10916    57.59706
   97    95 S   HC   _H16    79     1.09371   109.56834   -60.54444
   98    95 S   CT   _C8_    80     1.53338   110.95656   178.55938
   99    98 S   HC   _H17    81     1.09757   109.35198    61.92130
  100    98 S   HC   _H18    82     1.09770   108.66485   -54.10523
  101    98 S   CT   _C9_    83     1.54009   113.48062  -175.17696
  102   101 S   HC   _H19    84     1.09739   108.70721    56.30929
  103   101 S   CT   _C10    85     1.52942   112.49441   -63.54019
  104   103 S   HC   _H20    86     1.09523   111.25800   -55.83097
  105   103 S   HC   _H21    87     1.09547   110.75231  -175.89649
  106   103 S   HC   _H22    88     1.09409   111.38510    64.99213
  107   101 S   CT   _C11    89     1.53076   109.79015   174.01090
  108   107 S   HC   _H23    90     1.09541   111.28406    61.95595
  109   107 S   HC   _H24    91     1.09521   110.83572  -177.79079
  110   107 S   HC   _H25    92     1.09516   110.83665   -58.32165
  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  13   5   4   3
  25   2   1   1  17   7   6  13   6   5  10   6  10   6   5   2
   1  11   4   3  14  20   9   5   2   1   1  12   6   5  15   5
   4  21  19   9   9   3   2   1  11   6   5   6   3   8   4   3
   2   1   1  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    53    54    81    40    41    42    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    50    51    52    53    54    55    60    76    81    82    83    40    41    42    56    57    58    59    48  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    50    53    54    81    40    41    42    56    48    49  
   39    43    44    45    53    40    48  
   43    44    45    53    40    48  
   41    42    56    43    50    53    54    67    76    77    81    82    83  
   42    53    76    81    82    83  
   53    76    81    82    83  
   44    45    46    47    50    51    52    53    48    49  
   45    46    47    50    48    49  
   46    47    50    51    52    53    54    56    48    49  
   47    50    51    52    53    48  
   50    51    52    53    48  
   49    50  
    0  
   51    52    53    54    55    60    76    56    57    58    59  
   52    53    54    56  
   53    54    56  
   54    55    60    61    62    63    67    76    77    81    56    57    58    59  
   55    60    61    62    63    64    65    66    67    68    73    76    77    81    82    83    56    57    58    59  
   60    61    62    63    67    76    77    81    56  
   57    58    59    60    76  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    84    76    77    81    69  
   62    63    64    65    66    76  
   63    64    65    66    76  
   64    65    66    67    68    73    78    84    85    86    76    69    70    71    72  
   65    66    67    84    69  
   66    67    84    69  
   67    68    73    74    75    78    79    80    84    85    86    87    88    92    76    77    81    69    70    71    72  
   68    73    74    75    78    79    80    84    85    86    76    77    81    82    83    69    70    71    72  
   73    74    75    78    84    76    77    81    69  
   70    71    72    73    76    78    84    85    86  
   71    72    84  
   72    84  
   84  
   74    75    78    79    80    84    85    86    76    77    81  
   75    78    79    80    84    76  
   78    79    80    84    76  
   77    81    82    83    78    84  
   81    82    83  
   79    80    84    85    86    87    88    92  
   80    84    85    86  
   84    85    86  
   82    83  
   83  
    0  
   85    86    87    88    89    90    91    92    93    94    95  
   86    87    88    92  
   87    88    89    90    91    92    93    94    95    96    97    98  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95    96    97    98    99   100   101  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100   101   102   103   107  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105   106   107   108   109   110  
  100   101   102   103   107  
  101   102   103   107  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   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   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    76   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    84   268.000  1.529
   66    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   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   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   107   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   76    77   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   48    49   553.000  0.945
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  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    58.35000  112.70000
   37    43    48    50.00000  109.50000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    49    55.00000  108.50000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    60    58.35000  112.70000
   53    54    76    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    58.35000  112.70000
   54    76    67    58.35000  112.70000
   54    76    77    37.50000  110.70000
   54    76    81    58.35000  112.70000
   60    54    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    58.35000  112.70000
   63    66    84    58.35000  112.70000
   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    67    68    37.50000  110.70000
   66    67    73    58.35000  112.70000
   66    67    76    58.35000  112.70000
   66    84    78    58.35000  112.70000
   66    84    85    37.50000  110.70000
   66    84    86    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    78    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    81    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    84    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    66    67    58.35000  112.70000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    58.35000  112.70000
   84    86    92    58.35000  112.70000
   86    84    85    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    58.35000  112.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   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    37.50000  110.70000
   95    98   101    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   101   102    37.50000  110.70000
   98   101   103    58.35000  112.70000
   98   101   107    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   105    37.50000  110.70000
  101   103   106    37.50000  110.70000
  101   107   108    37.50000  110.70000
  101   107   109    37.50000  110.70000
  101   107   110    37.50000  110.70000
  103   101   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    37.50000  110.70000
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   76    54    55    37.50000  110.70000
   76    54    60    58.35000  112.70000
   76    67    68    37.50000  110.70000
   76    67    73    58.35000  112.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    40    58.35000  112.70000
   81    76    77    37.50000  110.70000
   81    40    41    50.00000  109.50000
   81    40    42    37.50000  110.70000
   83    81    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   42    40    41    45.00000  125.66300
   69    66    67    58.35000  112.70000
   69    66    84    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    53    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    50.00000  109.50000
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
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   84    66    67    76   0.20000  1.0 3.0
   84    66    69    70   0.15000  1.0 3.0
   84    66    69    71   0.15000  1.0 3.0
   84    66    69    72   0.15000  1.0 3.0
   84    86    88    89   0.15000  1.0 3.0
   84    86    88    90   0.15000  1.0 3.0
   84    86    88    91   0.15000  1.0 3.0
   84    86    92    93   0.15000  1.0 3.0
   84    86    92    94   0.15000  1.0 3.0
   84    86    92    95   0.56750  1.0 1.0
   84    86    92    95  -0.07550 -1.0 2.0
   84    86    92    95   0.20000  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    92   0.15000  1.0 3.0
   86    92    95    96   0.15000  1.0 3.0
   86    92    95    97   0.15000  1.0 3.0
   86    92    95    98   0.56750  1.0 1.0
   86    92    95    98  -0.07550 -1.0 2.0
   86    92    95    98   0.20000  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    90   0.15000  1.0 3.0
   87    86    88    91   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.56750  1.0 1.0
   88    86    92    95  -0.07550 -1.0 2.0
   88    86    92    95   0.20000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  1.0 3.0
   92    95    98    99   0.15000  1.0 3.0
   92    95    98   100   0.15000  1.0 3.0
   92    95    98   101   0.56750  1.0 1.0
   92    95    98   101  -0.07550 -1.0 2.0
   92    95    98   101   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   101   102   0.15000  1.0 3.0
   95    98   101   103   0.56750  1.0 1.0
   95    98   101   103  -0.07550 -1.0 2.0
   95    98   101   103   0.20000  1.0 3.0
   95    98   101   107   0.56750  1.0 1.0
   95    98   101   107  -0.07550 -1.0 2.0
   95    98   101   107   0.20000  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   101   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   101   0.15000  1.0 3.0
   98   101   103   104   0.15000  1.0 3.0
   98   101   103   105   0.15000  1.0 3.0
   98   101   103   106   0.15000  1.0 3.0
   98   101   107   108   0.15000  1.0 3.0
   98   101   107   109   0.15000  1.0 3.0
   98   101   107   110   0.15000  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
   99    98   101   107   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  100    98   101   107   0.15000  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   105   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
  102   101   107   108   0.15000  1.0 3.0
  102   101   107   109   0.15000  1.0 3.0
  102   101   107   110   0.15000  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  1.0 3.0
   76    54    60    61   0.15000  1.0 3.0
   76    54    60    62   0.15000  1.0 3.0
   76    54   -60    63   0.56750  1.0 1.0
   76    54   -60    63  -0.07550 -1.0 2.0
   76    54   -60    63   0.20000  1.0 3.0
   76    67    73    74   0.15000  1.0 3.0
   76    67    73    75   0.15000  1.0 3.0
   76    67    73    78   0.56750  1.0 1.0
   76    67    73    78  -0.07550 -1.0 2.0
   76    67    73    78   0.20000  1.0 3.0
   76    81   -40    33   0.56750  1.0 1.0
   76    81   -40    33  -0.07550 -1.0 2.0
   76    81   -40    33   0.20000  1.0 3.0
   76    81    40    41   0.62750  1.0 1.0
   76    81    40    41  -0.30950 -1.0 2.0
   76    81    40    41   0.27300  1.0 3.0
   76    81    40    42   0.15000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    40   0.15000  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.23400  1.0 3.0
   82    81    40    42   0.15000  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.23400  1.0 3.0
   83    81    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.56750  1.0 1.0
   40    33    37    43  -0.07550 -1.0 2.0
   40    33    37    43   0.20000  1.0 3.0
   40    33    53    50   0.56750  1.0 1.0
   40    33    53    50  -0.07550 -1.0 2.0
   40    33    53    50   0.20000  1.0 3.0
   40    33   -53    54   0.56750  1.0 1.0
   40    33   -53    54  -0.07550 -1.0 2.0
   40    33   -53    54   0.20000  1.0 3.0
   40    33    53    56   0.56750  1.0 1.0
   40    33    53    56  -0.07550 -1.0 2.0
   40    33    53    56   0.20000  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    73   0.56750  1.0 1.0
   69    66    67    73  -0.07550 -1.0 2.0
   69    66    67    73   0.20000  1.0 3.0
   69    66    67    76   0.56750  1.0 1.0
   69    66    67    76  -0.07550 -1.0 2.0
   69    66    67    76   0.20000  1.0 3.0
   69    66    84    78   0.56750  1.0 1.0
   69    66    84    78  -0.07550 -1.0 2.0
   69    66    84    78   0.20000  1.0 3.0
   69    66    84    85   0.15000  1.0 3.0
   69    66    84    86   0.56750  1.0 1.0
   69    66    84    86  -0.07550 -1.0 2.0
   69    66    84    86   0.20000  1.0 3.0
   56    53    54    55   0.15000  1.0 3.0
   56    53    54    60   0.56750  1.0 1.0
   56    53    54    60  -0.07550 -1.0 2.0
   56    53    54    60   0.20000  1.0 3.0
   56    53    54    76   0.56750  1.0 1.0
   56    53    54    76  -0.07550 -1.0 2.0
   56    53    54    76   0.20000  1.0 3.0
   48    43    45    46   0.23400  1.0 3.0
   48    43    45    47   0.23400  1.0 3.0
   48    43    45    50   0.86500  1.0 1.0
   48    43    45    50  -0.17500 -1.0 2.0
   48    43    45    50   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
END
