* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    210    341     634
    1     0 S   NP   _N1_     1    29.06342    91.37235   -19.38284
    2     1 S   H    _HN1     2     1.02781    88.66796   -70.94580
    3     1 S   H    _H1_     3     1.02956   107.89182    37.91899
    4     1 S   H    _H2_     4     1.02843    20.44064   128.71915
    5     1 S   CT   _CA1     5     1.50116   126.55894   172.03619
    6     5 S   HC   _HA1     6     1.09579   105.23620    43.97743
    7     5 S   CO3  _C1_     7     1.53724   112.49669   -76.13667
    8     7 S   O2Z  _O11     8     1.26305   114.96808   -42.50104
    9     7 S   O2Z  _O12     9     1.26220   114.98608   136.83240
   10     5 S   CT   _CB1    10     1.53112   107.43326   161.79302
   11    10 S   HC   HB11    11     1.09808   109.15016   -52.50209
   12    10 S   HC   HB12    12     1.09801   110.48032    63.98170
   13    10 S   CT   _CG1    13     1.52978   112.65903  -173.77307
   14    13 S   HC   HG11    14     1.09598   110.20779   -65.02494
   15    13 S   HC   HG12    15     1.09648   110.12028    54.05707
   16    13 S   C    _CD1    16     1.51811   112.48699   174.14362
   17    16 S   O    _OE1    17     1.22699   123.22893   -10.63982
   18    16 S   N    _N2_    18     1.38578   111.54121   170.29818
   19    18 S   H    _HN2    19     1.01603   118.85680    -0.35054
   20    18 S   CT1  _CA2    20     1.46290   123.72668  -179.96044
   21    20 S   HC   _HA2    21     1.09739   109.27200   -19.42479
   22    20 S   C    _C2_    22     1.53461   107.90561  -134.94062
   23    22 S   O    _O2_    23     1.22994   122.38635  -144.81247
   24    20 S   CT   _CB2    32     1.53448   111.35456   103.05395
   25    24 S   HC   HB21    33     1.09607   109.65742    49.88401
   26    24 S   HC   HB22    34     1.09488   110.86272   169.22755
   27    22 S   N    _N3_    24     1.38555   113.22780    42.47965
   28    27 S   H    _HN3    25     1.01539   118.89808    -0.53339
   29    24 S   S    _SG2    35     1.82703   111.63869   -71.39293
   30    27 S   CT   _CA3    26     1.45456   123.49739   175.18427
   31    30 S   HC   HA31    27     1.09519   109.29173    23.10609
   32    30 S   HC   HA32    28     1.09496   107.10076   140.12438
   33    29 S   CT   _C18    36     1.84266   100.22867   166.97323
   34    33 S   HC   _H7_    37     1.09820   102.71653     3.57949
   35    30 S   CO3  _C3_    29     1.52927   113.10798  -100.40981
   36    35 S   O2Z  _O31    30     1.26403   115.41116   -43.97099
   37    35 S   O2Z  _O32    31     1.26355   114.97694   136.96271
   38    33 S   CO4  _C17    38     1.52199   109.56101   110.36530
   39    38 S   O    _O38    39     1.22650   124.90502    -1.38084
   40    38 S   OS   _O37    40     1.36214   114.51689  -176.40730
   41    40 S   CT   _C16    41     1.45488   121.36880   -20.32265
   42    41 S   HC   _H6_    42     1.09551   105.84219    84.15931
   43    41 S   C5BC _C24    43     1.50641   109.28036  -162.61371
   44    41 S   CT   _C15    51     1.57187   109.23525   -35.99645
   45    43 S   C5BC _C25    44     1.42598   128.03547    32.79713
   46    45 S   HA   _H23    45     1.08103   127.38318     0.94564
   47    44 S   CT   _C14    52     1.56756   111.49517  -178.45427
   48    47 S   HC   _H15    53     1.09785   109.37333    85.77510
   49    47 S   HC   _H16    54     1.09751   110.35573   -29.93279
   50    44 S   CT   _C28   104     1.56506   106.24460   -58.51631
   51    50 S   HC   _H26   105     1.09321   113.10781    47.81124
   52    50 S   HC   _H27   106     1.09596   110.58831   -71.68642
   53    50 S   HC   _H28   107     1.08541   115.72376   168.50251
   54    45 S   C5A  _C26    46     1.37433   106.69918  -179.18795
   55    54 S   HA   _H24    47     1.08026   133.82806  -179.75292
   56    47 S   CT   _C13    55     1.55263   115.88055  -151.45748
   57    56 S   HC   _H13    56     1.09554   110.49328    95.53707
   58    56 S   HC   _H14    57     1.09041   106.00610  -151.09327
   59    54 S   OA   _O41    48     1.35635   110.46071     0.56752
   60    56 S   CT   _C12    58     1.53606   111.43204   -27.24134
   61    60 S   HC   _H5_    59     1.09002   101.57830   -48.07550
   62    43 S   C5A  _C27    49     1.38218   127.02823  -145.16088
   63    62 S   HA   _H25    50     1.08072   133.45502    -0.88514
   64    60 S   CT   _C20    60     1.60454   109.90775    64.42431
   65    64 S   CO4  _C21    61     1.53284   101.02694  -159.17353
   66    65 S   O    _O39    62     1.23007   123.32381   115.50001
   67    33 S   CT   _C19    97     1.57805   118.81478  -115.33056
   68    64 S   CT   _C23   100     1.55848   112.53323    84.37770
   69    68 S   HC   _H19   101     1.09452   111.50528   -36.66132
   70    68 S   HC   _H20   102     1.09302   112.45611  -154.94882
   71    68 S   HC   _H21   103     1.08860   114.74661    87.07667
   72    65 S   CT   _C22    63     1.52124   116.50108   -59.64455
   73    72 S   HC   _H17    64     1.09495   105.78202  -177.84705
   74    72 S   HC   _H18    65     1.09002   110.83487   -63.81966
   75    67 S   OH   _O40    98     1.48032   101.58893   102.25347
   76    75 S   HO   _H22    99     0.96910   111.07707    51.92129
   77    72 S   CT   _C10    66     1.54465   111.03142    61.86288
   78    77 S   HC   _H4_    67     1.10184   104.07283    57.01638
   79    60 S   CT   _C11    68     1.61801   119.56425  -155.31162
   80    77 S   CT   _C9_    77     1.56670   111.93057   168.40675
   81    79 S   CT   _C6_    69     1.58758   108.48817    47.34554
   82    81 S   HC   _H3_    70     1.09308   107.53696   -53.48425
   83    80 S   CT   _C30    78     1.54802   110.25970   -62.08793
   84    83 S   HC   _H32    79     1.09728   110.51643  -168.84211
   85    83 S   HC   _H33    80     1.09365   112.86132    70.77052
   86    83 S   HC   _H34    81     1.09619   111.02171   -51.51393
   87    80 S   CT   _C31    82     1.53780   115.13565    58.21455
   88    87 S   HC   _H35    83     1.09686   110.48382   179.44327
   89    87 S   HC   _H36    84     1.09029   112.77885    61.32939
   90    87 S   HC   _H37    85     1.09445   111.92526   -60.65983
   91    79 S   CT   _C29    93     1.53684   111.28057   -70.95197
   92    91 S   HC   _H29    94     1.09498   111.00656    43.35070
   93    91 S   HC   _H30    95     1.08796   112.80852   -78.99898
   94    91 S   HC   _H31    96     1.09140   113.11169   162.35587
   95    81 S   CT   _C7_    71     1.53539   119.07470  -170.09913
   96    95 S   HC   _H11    72     1.09648   110.00806  -166.39010
   97    95 S   HC   _H12    73     1.09665   108.81945    76.35410
   98    81 S   OS   _O34    86     1.44974   109.17499    64.05706
   99    95 S   CO4  _C8_    74     1.49773   117.11627   -44.74912
  100    99 S   O    _O35    75     1.22543   123.15111   156.63984
  101    98 S   CO4  _C5_    87     1.36185   118.42114  -141.31304
  102   101 S   O    _O33    88     1.22283   126.52955    -1.75914
  103    99 S   OS   _O36    76     1.34706   112.88010   -30.44970
  104   101 S   CT   _C4_    89     1.49817   109.35479   177.89364
  105   104 S   HC   _H8_    90     1.09306   109.74669   -61.99546
  106   104 S   HC   _H9_    91     1.09373   109.37630   178.91863
  107   104 S   HC   _H10    92     1.09292   109.85110    59.88449
  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
  15   7   2   1   1   9   3   9  20   7  11  19   6   4  15   7
   6   7   3   2   1   4   2  12   5   4   2  23   8   1   1  16
  14   6   8   6   2   1   1  11   5   4   1   1  21   7  16  14
  15   7   9   4   3   2   5   3   2   1   5   2   1   1   7   5
   4   7   2   1   5   4   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    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    64    67    75  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    60    64    65    67    75    76    68    50  
   38    39    40    44    64    67    75  
   36    37  
   37  
    0  
   39    40    41    42    43    44    64    67    75  
   40    41    67  
   41    42    43    45    62    44    47    67    50  
   42    43    45    46    54    59    62    63    44    47    48    49    56    64    67    75    50    51    52    53  
   43    45    62    44    47    67    50  
   45    46    54    55    59    62    63    44    47    67    50  
   47    48    49    56    57    58    60    64    65    67    75    76    68    50    51    52    53    45    62  
   46    54    55    59    62    63  
   54    55    59    62  
   48    49    56    57    58    60    61    64    79    67    75    50    51    52    53  
   49    56    57    58    60    67    50  
   56    57    58    60    67    50  
   51    52    53    56    64    67    75  
   52    53    67  
   53    67  
   67  
   55    59    62    63  
   59    62  
   57    58    60    61    64    65    77    79    81    91    67    68  
   58    60    61    64    79  
   60    61    64    79  
   62    63  
   61    64    65    66    72    77    78    79    81    82    95    80    98    91    92    93    94    67    75    68    69    70    71  
   64    65    77    79    81    91    67    68  
   63  
    0  
   65    66    72    73    74    77    79    81    91    67    75    76    68    69    70    71  
   66    72    73    74    77    78    79    80    67    75    68    69    70    71  
   72    73    74    77    67    68  
   75    76    68    69    70    71    72    79  
   69    70    71    72    75    79  
   70    71  
   71  
    0  
   73    74    77    78    79    81   103    80    83    87    91  
   74    77    78    79    80  
   77    78    79    80  
   76  
    0  
   78    79    81    82    95    99   103    80    83    84    85    86    87    88    89    90    98    91    92    93    94  
   79    81   103    80    83    87    91  
   81    82    95    96    97    99   103    80    83    87    98   101    91    92    93    94  
   83    84    85    86    87    88    89    90    91    81    95    99   100   103  
   82    95    96    97    99   100   103    98   101   102   104    91    92    93    94  
   95    96    97    99    98   101    91  
   84    85    86    87    88    89    90    99   103  
   85    86    87   103  
   86    87   103  
   87   103  
   88    89    90    99   103  
   89    90   103  
   90   103  
  103  
   92    93    94    95    98  
   93    94  
   94  
    0  
   96    97    99   100   103    98   101  
   97    99   100   103    98  
   99   100   103    98  
  101   102   104   105   106   107    99  
  100   103  
  103  
  102   104   105   106   107  
  104   105   106   107  
    0  
  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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   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   317.000  1.522
   33    67   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    62   546.000  1.367
   45    46   367.000  1.080
   45    54   546.000  1.367
   54    55   367.000  1.080
   54    59   340.000  1.360
   59    62   340.000  1.360
   62    63   367.000  1.080
   44    47   268.000  1.529
   44    67   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    79   268.000  1.529
   64    65   317.000  1.522
   64    67   268.000  1.529
   64    68   268.000  1.529
   65    66   570.000  1.229
   65    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    80   268.000  1.529
   79    81   268.000  1.529
   79    91   268.000  1.529
   81    82   340.000  1.090
   81    95   268.000  1.529
   81    98   320.000  1.410
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    99   317.000  1.522
   99   100   570.000  1.229
   99   103   214.000  1.327
  103    80   320.000  1.410
   80    83   268.000  1.529
   80    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   98   101   214.000  1.327
  101   102   570.000  1.229
  101   104   317.000  1.522
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   67    75   320.000  1.410
   75    76   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  110.18000
   29    33    67    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    67    44    58.35000  112.70000
   33    67    64    58.35000  112.70000
   33    67    75    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    62    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    67    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    54    70.00000  107.30000
   43    62    59    70.00000  110.60000
   43    62    63    35.00000  132.10000
   45    54    55    35.00000  132.10000
   45    54    59    70.00000  110.60000
   54    45    46    35.00000  125.70000
   54    59    62    70.00000  106.50000
   59    54    55    35.00000  113.40000
   59    62    63    35.00000  113.40000
   62    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    67    64    58.35000  112.70000
   44    67    75    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    79    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    65    63.00000  111.10000
   60    64    67    58.35000  112.70000
   60    64    68    58.35000  112.70000
   60    79    77    58.35000  112.70000
   60    79    81    58.35000  112.70000
   60    79    91    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    65    66    80.00000  120.40000
   64    65    72    70.00000  116.00000
   64    67    75    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    77    63.00000  111.10000
   72    65    66    80.00000  120.40000
   72    77    78    37.50000  110.70000
   72    77    79    58.35000  112.70000
   72    77    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    79    81    58.35000  112.70000
   77    79    91    58.35000  112.70000
   77    80   103    50.00000  109.50000
   77    80    83    58.35000  112.70000
   77    80    87    58.35000  112.70000
   79    60    61    37.50000  110.70000
   79    60    64    58.35000  112.70000
   79    77    78    37.50000  110.70000
   79    81    82    37.50000  110.70000
   79    81    95    58.35000  112.70000
   79    81    98    50.00000  109.50000
   79    91    92    37.50000  110.70000
   79    91    93    37.50000  110.70000
   79    91    94    37.50000  110.70000
   81    95    96    37.50000  110.70000
   81    95    97    37.50000  110.70000
   81    95    99    63.00000  111.10000
   81    98   101    83.00000  116.90000
   95    81    82    37.50000  110.70000
   95    99   100    80.00000  120.40000
   95    99   103    81.00000  111.40000
   97    95    96    33.00000  107.80000
   99    95    96    35.00000  109.50000
   99    95    97    35.00000  109.50000
   99   103    80    83.00000  116.90000
  103    99   100    83.00000  123.40000
  103    80    83    50.00000  109.50000
  103    80    87    50.00000  109.50000
   80    77    78    37.50000  110.70000
   80    77    79    58.35000  112.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    37.50000  110.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    80    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   98    81    82    35.00000  109.50000
   98    81    95    50.00000  109.50000
   98   101   102    83.00000  123.40000
   98   101   104    81.00000  111.40000
  101   104   105    35.00000  109.50000
  101   104   106    35.00000  109.50000
  101   104   107    35.00000  109.50000
  104   101   102    80.00000  120.40000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   91    79    81    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   67    33    34    37.50000  110.70000
   67    33    38    63.00000  111.10000
   67    44    47    58.35000  112.70000
   67    64    65    63.00000  111.10000
   67    75    76    55.00000  108.50000
   68    64    65    63.00000  111.10000
   68    64    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   50    44    47    58.35000  112.70000
   50    44    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
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   95    81    98   101  -0.47000 -1.0 2.0
   95    81    98   101   0.11750  1.0 3.0
   95    99   103    80   1.63150  1.0 1.0
   95    99   103    80   2.92000 -1.0 2.0
   96    95    99   100   0.00000  1.0 1.0
   96    95    99   103   0.00000  1.0 1.0
   97    95    99   100   0.00000  1.0 1.0
   97    95    99   103   0.00000  1.0 1.0
   99   103    80    77  -0.25900  1.0 1.0
   99   103    80    77  -0.47000 -1.0 2.0
   99   103    80    77   0.11750  1.0 3.0
   99   103    80    83  -0.25900  1.0 1.0
   99   103    80    83  -0.47000 -1.0 2.0
   99   103    80    83   0.11750  1.0 3.0
   99   103    80    87  -0.25900  1.0 1.0
   99   103    80    87  -0.47000 -1.0 2.0
   99   103    80    87   0.11750  1.0 3.0
  100    99   103    80   3.00000 -1.0 2.0
  103    80    83    84   0.23400  1.0 3.0
  103    80    83    85   0.23400  1.0 3.0
  103    80    83    86   0.23400  1.0 3.0
  103    80    87    88   0.23400  1.0 3.0
  103    80    87    89   0.23400  1.0 3.0
  103    80    87    90   0.23400  1.0 3.0
   80    77    79    60   0.56750  1.0 1.0
   80    77    79    60  -0.07550 -1.0 2.0
   80    77    79    60   0.20000  1.0 3.0
   80    77    79    81   0.56750  1.0 1.0
   80    77    79    81  -0.07550 -1.0 2.0
   80    77    79    81   0.20000  1.0 3.0
   80    77    79    91   0.56750  1.0 1.0
   80    77    79    91  -0.07550 -1.0 2.0
   80    77    79    91   0.20000  1.0 3.0
   83    80    87    88   0.15000  1.0 3.0
   83    80    87    89   0.15000  1.0 3.0
   83    80    87    90   0.15000  1.0 3.0
   87    80    83    84   0.15000  1.0 3.0
   87    80    83    85   0.15000  1.0 3.0
   87    80    83    86   0.15000  1.0 3.0
   98    81    95    96   0.23400  1.0 3.0
   98    81    95    97   0.23400  1.0 3.0
   98    81    95    99  -0.09450  1.0 1.0
   98    81    95    99  -1.12950 -1.0 2.0
   98    81    95    99   0.54000  1.0 3.0
   98   101   104   105   0.00000  1.0 1.0
   98   101   104   106   0.00000  1.0 1.0
   98   101   104   107   0.00000  1.0 1.0
  102   101   104   105   0.00000  1.0 1.0
  102   101   104   106   0.00000  1.0 1.0
  102   101   104   107   0.00000  1.0 1.0
   91    79    81    82   0.15000  1.0 3.0
   91    79    81    95   0.56750  1.0 1.0
   91    79    81    95  -0.07550 -1.0 2.0
   91    79    81    95   0.20000  1.0 3.0
   91    79    81    98   0.62750  1.0 1.0
   91    79    81    98  -0.30950 -1.0 2.0
   91    79    81    98   0.27300  1.0 3.0
   67    33    38    39   0.30150 -1.0 2.0
   67    33   -38    40   0.36750  1.0 3.0
   67    44    47    48   0.15000  1.0 3.0
   67    44    47    49   0.15000  1.0 3.0
   67    44   -47    56   0.56750  1.0 1.0
   67    44   -47    56  -0.07550 -1.0 2.0
   67    44   -47    56   0.20000  1.0 3.0
   67    44    50    51   0.15000  1.0 3.0
   67    44    50    52   0.15000  1.0 3.0
   67    44    50    53   0.15000  1.0 3.0
   67    64    65    66   0.30150 -1.0 2.0
   67    64    65    72   0.60050  1.0 1.0
   67    64    65    72   0.05600 -1.0 2.0
   67    64    65    72   0.26150  1.0 3.0
   67    64    68    69   0.15000  1.0 3.0
   67    64    68    70   0.15000  1.0 3.0
   67    64    68    71   0.15000  1.0 3.0
   68    64    65    66   0.30150 -1.0 2.0
   68    64    65    72   0.60050  1.0 1.0
   68    64    65    72   0.05600 -1.0 2.0
   68    64    65    72   0.26150  1.0 3.0
   68    64    67    33   0.56750  1.0 1.0
   68    64    67    33  -0.07550 -1.0 2.0
   68    64    67    33   0.20000  1.0 3.0
   68    64    67    44   0.56750  1.0 1.0
   68    64    67    44  -0.07550 -1.0 2.0
   68    64    67    44   0.20000  1.0 3.0
   68    64    67    75   0.86500  1.0 1.0
   68    64    67    75  -0.17500 -1.0 2.0
   68    64    67    75   0.20800  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    67    33   0.56750  1.0 1.0
   50    44    67    33  -0.07550 -1.0 2.0
   50    44    67    33   0.20000  1.0 3.0
   50    44    67    64   0.56750  1.0 1.0
   50    44    67    64  -0.07550 -1.0 2.0
   50    44    67    64   0.20000  1.0 3.0
   50    44    67    75   0.86500  1.0 1.0
   50    44    67    75  -0.17500 -1.0 2.0
   50    44    67    75   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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    62    43    41   4.00000 -1.0 2.0
   54    46    45    43   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   59    63    62    43   1.10000 -1.0 2.0
   64    72    65    66  10.50000 -1.0 2.0
   95   103    99   100  10.50000 -1.0 2.0
   98   104   101   102  10.50000 -1.0 2.0
END
