* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    210    325     609
    1     0 S   NP   _N1_     1    29.16152    96.73080   -17.05329
    2     1 S   H    _HN1     2     1.02961    89.39900    30.02558
    3     1 S   H    _H1_     3     1.02837    57.61978   140.72995
    4     1 S   H    _H2_     4     1.02777    62.22551   -81.12257
    5     1 S   CT   _CA1     5     1.50080   159.85454  -159.99296
    6     5 S   HC   _HA1     6     1.09568   105.30988     8.25697
    7     5 S   CO3  _C1_     7     1.53908   112.35813  -112.11027
    8     7 S   O2Z  _O11     8     1.26366   115.00111   -44.35763
    9     7 S   O2Z  _O12     9     1.26242   114.95754   134.96535
   10     5 S   CT   _CB1    10     1.53118   107.44892   126.29608
   11    10 S   HC   HB11    11     1.09810   109.67969   -50.03919
   12    10 S   HC   HB12    12     1.09821   110.26850    66.61755
   13    10 S   CT   _CG1    13     1.52917   112.44758  -171.12276
   14    13 S   HC   HG11    14     1.09539   110.16325   -57.68538
   15    13 S   HC   HG12    15     1.09618   110.24139    61.40400
   16    13 S   C    _CD1    16     1.51755   112.38642  -177.90959
   17    16 S   O    _OE1    17     1.22686   123.34745   -11.50288
   18    16 S   N    _N2_    18     1.38494   111.38225   168.65913
   19    18 S   H    _HN2    19     1.01507   118.80016     2.79379
   20    18 S   CT1  _CA2    20     1.46129   123.83302  -175.55657
   21    20 S   HC   _HA2    21     1.09707   109.45042   -17.68255
   22    20 S   C    _C2_    22     1.53357   108.16219  -133.79571
   23    22 S   O    _O2_    23     1.23020   122.32954  -147.33604
   24    20 S   CT   _CB2    32     1.53462   111.02763   104.71445
   25    24 S   HC   HB21    33     1.09510   109.64912    55.19777
   26    24 S   HC   HB22    34     1.09524   110.66208   173.34003
   27    22 S   N    _N3_    24     1.38538   113.43655    39.88985
   28    27 S   H    _HN3    25     1.01509   118.95093     0.06853
   29    24 S   S    _SG2    35     1.82864   112.00685   -67.63184
   30    27 S   CT   _CA3    26     1.45337   122.96478   177.16338
   31    30 S   HC   HA31    27     1.09571   108.46805    35.75982
   32    30 S   HC   HA32    28     1.09481   107.08806   152.60737
   33    29 S   CT   _C13    36     1.85285   100.10609   139.94667
   34    33 S   HC   _H4_    37     1.09777   105.73034    34.43937
   35    30 S   CO3  _C3_    29     1.52823   114.60912   -86.82165
   36    35 S   O2Z  _O31    30     1.26311   116.45439   -18.67112
   37    35 S   O2Z  _O32    31     1.26444   114.47537   161.93777
   38    33 S   CM   _C11    38     1.53031   109.06509   -83.61050
   39    33 S   CT   _C14    64     1.55360   110.21090   149.87393
   40    39 S   HC   _H5_    65     1.09689   110.04952    57.86306
   41    38 S   CM   _C10    39     1.35047   119.18820   118.28640
   42    41 S   HC   _H20    40     1.09007   117.86885     1.22669
   43    38 S   CT   _C12    60     1.50970   117.55103   -63.52842
   44    43 S   HC   _H21    61     1.09382   110.93236   -47.71038
   45    43 S   HC   _H22    62     1.09325   110.91625    72.71555
   46    43 S   HC   _H23    63     1.09254   113.07609  -166.34383
   47    39 S   C    _C16    66     1.53382   109.37259   -62.71735
   48    47 S   O    _O33    67     1.22905   121.03152   -62.04789
   49    39 S   CT   _C15   111     1.53239   112.48280   177.82994
   50    49 S   HC   _H24   112     1.09571   111.42398    53.72063
   51    49 S   HC   _H25   113     1.09583   110.67848   173.22448
   52    49 S   HC   _H26   114     1.09439   111.42184   -67.17125
   53    41 S   CT   _C8_    41     1.51281   127.79413  -178.18458
   54    53 S   HC   _H3_    42     1.09547   110.55793    19.61251
   55    47 S   N    _N4_    68     1.38946   112.32776   116.66142
   56    55 S   H    _H27    69     1.01812   117.45255    10.98978
   57    53 S   CT   _C9_    43     1.53009   109.37843   -99.42558
   58    57 S   HC   _H17    44     1.09598   111.54205   -61.40795
   59    57 S   HC   _H18    45     1.09580   111.04546    58.98497
   60    57 S   HC   _H19    46     1.09536   110.71718   178.44216
   61    53 S   CT   _C7_    47     1.54418   111.80472   138.61998
   62    61 S   HC   _H15    48     1.09799   110.05736    60.91656
   63    61 S   HC   _H16    49     1.09776   108.80458   177.32365
   64    55 S   CM   _C17    70     1.38222   128.34008  -167.71802
   65    61 S   CT   _C6_    50     1.53196   113.04901   -61.62335
   66    65 S   HC   _H13    51     1.09549   109.83721    63.07281
   67    65 S   HC   _H14    52     1.09608   109.50188   -54.75768
   68    64 S   CM   _C18    71     1.34402   125.57181     5.06952
   69    68 S   HC   _H28    72     1.08619   119.83595    -2.16021
   70    65 S   CT   _C5_    53     1.52818   111.60910  -175.97464
   71    70 S   HC   _H11    54     1.09611   109.85355    60.65629
   72    70 S   HC   _H12    55     1.09614   109.94945   -57.18909
   73    68 S   CT   _C19    73     1.51824   126.28062   174.13061
   74    70 S   CT   _C4_    56     1.52075   111.27475  -178.24053
   75    74 S   HC   _H8_    57     1.09445   110.86040    61.44860
   76    74 S   HC   _H9_    58     1.09439   110.29856  -178.93541
   77    74 S   HC   _H10    59     1.09473   111.08651   -59.02408
   78    73 S   C3T  _C20    74     1.50766   113.99917    13.53176
   79    78 S   HC   _H6_    75     1.08164   114.89354  -165.89353
   80    73 S   CM   _C23    81     1.52715   111.93949  -112.72326
   81    80 S   HC   _H29    82     1.09055   114.44852  -164.67076
   82    73 S   OH   _O39   109     1.43505   106.68036   130.99476
   83    82 S   HO   _H41   110     0.97274   108.26547    63.49197
   84    78 S   C3T  _C21    76     1.49706   118.95307   -13.63248
   85    84 S   HC   _H7_    77     1.08372   117.27748  -148.67915
   86    80 S   CM   _C24    83     1.34444   127.30939    16.58955
   87    86 S   HC   _H30    84     1.08670   120.55134    -0.20558
   88    64 S   CO4  _C22    78     1.49822   114.55524  -177.84523
   89    88 S   O    _O34    79     1.22604   121.79530    -3.97636
   90    78 S   O3T  _O35    80     1.43604   116.01135    53.36075
   91    86 S   CM   _C25    85     1.44675   123.16769   179.07868
   92    91 S   HC   _H31    86     1.08782   117.07225     0.33977
   93    91 S   CM   _C26    87     1.34214   122.96308  -179.26591
   94    93 S   HC   _H32    88     1.08808   120.11642    -0.29608
   95    93 S   CM   _C27    89     1.44687   122.83543   179.30959
   96    95 S   HC   _H33    90     1.08755   116.75399     0.65102
   97    95 S   CM   _C28    91     1.34056   122.96338  -178.93725
   98    97 S   HC   _H34    92     1.08523   121.67495    -0.30647
   99    97 S   C    _C29    93     1.48871   119.78800   179.42870
  100    99 S   O    _O36    94     1.22664   122.60750     2.50022
  101    99 S   N    _N5_    95     1.38130   112.15494  -177.27164
  102   101 S   H    _H35    96     1.01964   119.87351    -1.43313
  103   101 S   CT1  _C30    97     1.44134   122.23431  -178.28616
  104   103 S   HC   _H36    98     1.09368   112.57243   -28.45965
  105   103 S   CO4  _C31    99     1.51004   110.60412  -151.84387
  106   105 S   O    _O37   100     1.22473   124.51470    57.43142
  107   105 S   CT   _C32   101     1.51033   111.78725  -120.25134
  108   107 S   HC   _H37   102     1.09393   108.68576   110.33806
  109   107 S   HC   _H38   103     1.09298   110.56020  -129.07020
  110   107 S   CT   _C33   104     1.52951   105.64318    -8.57984
  111   110 S   HC   _H39   105     1.09431   110.73423  -101.89332
  112   110 S   HC   _H40   106     1.09278   111.42864   135.53756
  113   103 S   CO4  _C34   107     1.51160   110.74433    94.41877
  114   113 S   O    _O38   108     1.22427   124.96447   -52.26631
  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   9   5   4   3
  18   7   2   1   1  14  12   7  15   5   4   2   1   1  10   4
   4   2   1   1  12   8   8   3   7   3   2   1   9   5   4  11
   9   5   4  13   5   6   5   4  13   3   2   1   1  11   6  10
   4   4   1   4   3   6   3   2   1   1   6   3   6   3   6   3
   6   3   7   3   9   4  11   6   9   5   7   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    53    43    44    45    46    39    40    47    48    55    49    50    51    52  
   38    41    43    39    40    47    49  
   36    37  
   37  
    0  
   41    42    53    54    57    61    43    44    45    46    39    40    47    49  
   40    47    48    55    56    64    49    50    51    52    41    43  
   47    48    55    49    50    51    52  
   42    53    54    57    58    59    60    61    62    63    65    43    44    45    46  
   53    54    57    61    43  
   44    45    46    53  
   45    46  
   46  
    0  
   48    55    56    64    68    88    49    50    51    52  
   55    56    64    49  
   50    51    52    55  
   51    52  
   52  
    0  
   54    57    58    59    60    61    62    63    65    66    67    70  
   57    58    59    60    61    62    63    65  
   56    64    68    69    73    84    88    89  
   64    68    88  
   58    59    60    61    62    63    65  
   59    60    61  
   60    61  
   61  
   62    63    65    66    67    70    71    72    74  
   63    65    66    67    70  
   65    66    67    70  
   68    69    73    78    84    85    88    89    90    80    82  
   66    67    70    71    72    74    75    76    77  
   67    70    71    72    74  
   70    71    72    74  
   69    73    78    79    84    88    89    90    80    81    86    82    83  
   73    78    88    80    82  
   71    72    74    75    76    77  
   72    74    75    76    77  
   74    75    76    77  
   78    79    84    85    88    90    80    81    86    87    91    82    83  
   75    76    77  
   76    77  
   77  
    0  
   79    84    85    88    89    90    80    81    86    82    83  
   84    85    88    90    80    82  
   81    86    87    91    92    93    82    83    84    90  
   86    87    91    82  
   83    84    86    90  
    0  
   85    88    89    90  
   88    89    90  
   87    91    92    93    94    95  
   91    92    93  
   89    90  
   90  
    0  
   92    93    94    95    96    97  
   93    94    95  
   94    95    96    97    98    99  
   95    96    97  
   96    97    98    99   100   101  
   97    98    99  
   98    99   100   101   102   103  
   99   100   101  
  100   101   102   103   104   105   113  
  101   102   103  
  102   103   104   105   106   107   110   113   114  
  103   104   105   113  
  104   105   106   107   108   109   110   111   112   113   114  
  105   106   107   110   113   114  
  106   107   108   109   110   111   112   113   114  
  107   108   109   110   113  
  108   109   110   111   112   113   114  
  109   110   111   112   113  
  110   111   112   113  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  101   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  102   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  103   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    43   317.000  1.510
   41    42   340.000  1.080
   41    53   317.000  1.510
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.090
   39    47   317.000  1.522
   39    49   268.000  1.529
   47    48   570.000  1.229
   47    55   490.000  1.335
   55    56   434.000  1.010
   55    64   400.000  1.384
   64    68   549.000  1.340
   64    88   320.000  1.462
   68    69   340.000  1.080
   68    73   317.000  1.510
   73    78   275.000  1.510
   73    80   317.000  1.510
   73    82   320.000  1.410
   78    79   340.000  1.088
   78    84   260.000  1.509
   78    90   335.000  1.432
   84    85   340.000  1.088
   84    88   290.000  1.496
   84    90   335.000  1.432
   88    89   570.000  1.229
   80    81   340.000  1.080
   80    86   549.000  1.340
   86    87   340.000  1.080
   86    91   380.000  1.444
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   380.000  1.444
   95    96   340.000  1.080
   95    97   549.000  1.340
   97    98   340.000  1.080
   97    99   410.000  1.444
   99   100   570.000  1.229
   99   101   490.000  1.335
  101   102   434.000  1.010
  101   103   337.000  1.449
  103   104   340.000  1.090
  103   105   255.000  1.522
  103   113   255.000  1.522
  105   106   570.000  1.229
  105   107   317.000  1.522
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   317.000  1.522
  113   114   570.000  1.229
   82    83   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    47    63.00000  111.10000
   33    39    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    53    70.00000  124.00000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   41    53    54    35.00000  109.50000
   41    53    57    70.00000  112.02700
   41    53    61    70.00000  112.02700
   53    41    42    35.00000  117.00000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    65    58.35000  112.70000
   57    53    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    57    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    74    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   43    38    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    47    48    80.00000  120.40000
   39    47    55    70.00000  116.60000
   39    49    50    37.50000  110.70000
   39    49    51    37.50000  110.70000
   39    49    52    37.50000  110.70000
   47    39    40    35.00000  109.50000
   47    55    56    35.00000  119.80000
   47    55    64    70.00000  120.89900
   55    47    48    80.00000  122.90000
   55    64    68    75.00000  120.83300
   55    64    88    70.00000  117.92000
   64    55    56    45.00000  117.55000
   64    68    69    35.00000  120.00000
   64    68    73    70.00000  124.00000
   64    88    84    65.00000  118.62400
   64    88    89    80.00000  123.72100
   68    73    78    70.00000  112.02700
   68    73    80    70.00000  110.12100
   68    73    82    90.00000  110.39200
   73    68    69    35.00000  117.00000
   73    78    79    40.00000  115.04500
   73    78    84    60.00000  120.94000
   73    78    90    80.00000  116.47100
   73    80    81    35.00000  117.00000
   73    80    86    70.00000  124.00000
   73    82    83    55.00000  108.50000
   78    84    85    37.50000  117.20000
   78    84    88    65.00000  117.18000
   78    84    90    15.00000   60.43100
   78    90    84    15.00000   59.14900
   84    78    79    37.50000  117.20000
   84    88    89    75.00000  121.36600
   88    64    68    65.00000  118.96000
   88    84    85    40.00000  116.18000
   90    78    79    50.00000  114.27700
   90    78    84    15.00000   60.43100
   90    84    85    50.00000  114.27700
   90    84    88    80.00000  114.91000
   80    73    78    70.00000  112.02700
   80    86    87    35.00000  120.00000
   80    86    91    70.00000  123.01800
   86    80    81    35.00000  120.00000
   86    91    92    35.00000  120.00000
   86    91    93    70.00000  123.01800
   91    86    87    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    70.00000  123.01800
   93    91    92    35.00000  120.00000
   93    95    96    35.00000  120.00000
   93    95    97    70.00000  123.01800
   95    93    94    35.00000  120.00000
   95    97    98    35.00000  120.00000
   95    97    99    70.00000  118.70000
   97    95    96    35.00000  120.00000
   97    99   100    80.00000  125.30000
   97    99   101    80.00000  111.56200
   99    97    98    35.00000  119.70000
   99   101   102    35.00000  119.80000
   99   101   103    50.00000  121.90000
  101    99   100    80.00000  122.90000
  101   103   104    35.00000  109.50000
  101   103   105    80.00000  110.29000
  101   103   113    80.00000  110.29000
  103   101   102    38.00000  118.40000
  103   105   106    75.00000  123.42600
  103   105   107    65.00000  117.09000
  103   113   110    65.00000  117.09000
  103   113   114    75.00000  123.42600
  105   103   104    45.00000  110.09800
  105   107   108    35.00000  109.50000
  105   107   109    35.00000  109.50000
  105   107   110    63.00000  111.10000
  107   105   106    80.00000  120.40000
  107   110   111    37.50000  110.70000
  107   110   112    37.50000  110.70000
  107   110   113    63.00000  111.10000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  110   113   114    80.00000  120.40000
  112   110   111    33.00000  107.80000
  113   103   104    45.00000  110.09800
  113   103   105    65.00000  112.16000
  113   110   111    35.00000  109.50000
  113   110   112    35.00000  109.50000
   82    73    78    50.00000  109.50000
   82    73    80    90.00000  110.39200
   49    39    40    37.50000  110.70000
   49    39    47    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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
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  106   105   107   110   0.30150 -1.0 2.0
  107   110  -113   103   0.60050  1.0 1.0
  107   110  -113   103   0.05600 -1.0 2.0
  107   110  -113   103   0.26150  1.0 3.0
  107   110   113   114   0.30150 -1.0 2.0
  108   107   110   111   0.15000  1.0 3.0
  108   107   110   112   0.15000  1.0 3.0
  108   107   110   113  -0.11250  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  109   107   110   112   0.15000  1.0 3.0
  109   107   110   113  -0.11250  1.0 3.0
  111   110   113   103   0.00000  1.0 1.0
  111   110   113   114   0.00000  1.0 1.0
  112   110   113   103   0.00000  1.0 1.0
  112   110   113   114   0.00000  1.0 1.0
  113   103   105   106   0.30150 -1.0 2.0
  113   103  -105   107   0.65300  1.0 1.0
  113   103  -105   107  -0.03850 -1.0 2.0
  113   103  -105   107   0.33900  1.0 3.0
   82    73    78    79   0.23400  1.0 3.0
   82    73    78    84   0.86500  1.0 1.0
   82    73    78    84  -0.17500 -1.0 2.0
   82    73    78    84   0.20800  1.0 3.0
   82    73    78    90   3.69350  1.0 1.0
   82    73    78    90  -1.82950 -1.0 2.0
   82    73    80    81   0.00000  1.0 1.0
   82    73    80    86   0.67800  1.0 1.0
   82    73    80    86   0.47050 -1.0 2.0
   82    73    80    86  -0.62500  1.0 3.0
   49    39    47    48   0.30150 -1.0 2.0
   49    39    47    55   1.39750  1.0 1.0
   49    39    47    55  -0.07950 -1.0 2.0
   49    39    47    55  -0.18750  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
   33    43    38    41  15.00000 -1.0 2.0
   53    42    41    38  15.00000 -1.0 2.0
   39    55    47    48  10.50000 -1.0 2.0
   56    47    55    64   1.00000 -1.0 2.0
   55    88    64    68   1.10000 -1.0 2.0
   73    69    68    64   1.10000 -1.0 2.0
   64    84    88    89  10.50000 -1.0 2.0
   73    81    80    86  15.00000 -1.0 2.0
   91    87    86    80  15.00000 -1.0 2.0
   86    92    91    93  15.00000 -1.0 2.0
   95    94    93    91  15.00000 -1.0 2.0
   93    96    95    97  15.00000 -1.0 2.0
   99    98    97    95  15.00000 -1.0 2.0
   97   101    99   100  10.50000 -1.0 2.0
  102    99   101   103   1.00000 -1.0 2.0
  103   107   105   106  10.50000 -1.0 2.0
  103   110   113   114  10.50000 -1.0 2.0
END
