* LIGAND DATABASE FILE (OPLS2005)
*
001     113   115    207    319     598
    1     0 S   NP   _N1_     1    29.62661    96.17885   -25.84013
    2     1 S   H    _HN1     2     1.02836    22.92692   155.21951
    3     1 S   H    _H1_     3     1.02778   113.74316  -125.08347
    4     1 S   H    _H2_     4     1.02957    84.33256   -17.53739
    5     1 S   CT   _CA1     5     1.50128   123.39129    93.20964
    6     5 S   HC   _HA1     6     1.09576   105.22099    80.81901
    7     5 S   CO3  _C1_     7     1.53783   112.29431   -39.37540
    8     7 S   O2Z  _O11     8     1.26364   115.00727   -45.63795
    9     7 S   O2Z  _O12     9     1.26229   114.92240   133.40825
   10     5 S   CT   _CB1    10     1.53091   107.41436  -161.30629
   11    10 S   HC   HB11    11     1.09828   109.33599   -50.62105
   12    10 S   HC   HB12    12     1.09816   110.43735    65.92573
   13    10 S   CT   _CG1    13     1.53023   112.67150  -171.68055
   14    13 S   HC   HG11    14     1.09595   110.50470   -64.12674
   15    13 S   HC   HG12    15     1.09655   109.92357    55.08532
   16    13 S   C    _CD1    16     1.51840   112.25723   175.45024
   17    16 S   O    _OE1    17     1.22760   123.28009     0.63366
   18    16 S   N    _N2_    18     1.38535   111.75563  -179.42461
   19    18 S   H    _HN2    19     1.01573   119.10925     4.28112
   20    18 S   CT1  _CA2    20     1.45763   122.84813   177.95943
   21    20 S   HC   _HA2    21     1.09692   109.09475    23.90140
   22    20 S   C    _C2_    22     1.53155   107.04393   -93.55035
   23    22 S   O    _O2_    23     1.23005   123.09258   -22.15127
   24    20 S   CT   _CB2    32     1.53218   112.45485   147.22409
   25    24 S   HC   HB21    33     1.09418   109.17851    60.73017
   26    24 S   HC   HB22    34     1.09339   109.24977   179.53061
   27    22 S   N    _N3_    24     1.38505   112.69211   160.97298
   28    27 S   H    _HN3    25     1.01646   120.43966    -3.60266
   29    24 S   S    _SG2    35     1.82292   112.61867   -59.93999
   30    27 S   CT   _CA3    26     1.45323   122.30559   176.38513
   31    30 S   HC   HA31    27     1.09472   107.58747   -54.05582
   32    30 S   HC   HA32    28     1.09544   107.76342    62.30966
   33    29 S   CT   _C22    36     1.87373   100.97386  -170.60230
   34    33 S   HC   _H6_    37     1.08916   107.78753    59.55448
   35    30 S   CO3  _C3_    29     1.52792   114.43868  -175.71897
   36    35 S   O2Z  _O31    30     1.26328   116.04555    -6.54251
   37    35 S   O2Z  _O32    31     1.26438   114.40667   173.44294
   38    33 S   CM   _C17    38     1.53242   108.68860   -61.37613
   39    38 S   CMA  _C18    39     1.36715   121.28586   -85.24901
   40    39 S   OM   _O39    40     1.26631   128.66716  -179.84677
   41    38 S   N    _N4_    77     1.39229   120.90670    95.20546
   42    41 S   H    _H27    78     1.01921   113.19849  -172.35905
   43    39 S   C3T  _C19    41     1.49544   119.22692    -0.87155
   44    43 S   HC   _H4_    42     1.08784   114.45550   126.13675
   45    41 S   C    _C16    79     1.38402   129.59399     9.20135
   46    45 S   O    _O33    80     1.22663   127.80756    12.12291
   47    43 S   C3T  _C20    43     1.51270   118.66042   -16.12278
   48    47 S   HC   _H5_    44     1.08201   117.47736   139.71048
   49    45 S   CM   _C14    81     1.49798   113.25690  -170.14575
   50    33 S   CT   _C21    45     1.57290   110.95786   176.00257
   51    43 S   O3T  _O34    76     1.44119   121.91450   -84.12305
   52    49 S   CM   _C13    82     1.34622   117.31567    53.72778
   53    52 S   HC   _H23    83     1.08944   119.97706    -3.73570
   54    49 S   CT   _C15   110     1.49740   115.47235  -129.37427
   55    54 S   HC   _H24   111     1.09469   110.44737   -71.93767
   56    54 S   HC   _H25   112     1.09546   110.22361    47.71829
   57    54 S   HC   _H26   113     1.09385   112.61620   166.87405
   58    50 S   CM   _C23    46     1.52309   116.95715   -60.33981
   59    58 S   HC   _H28    47     1.09049   114.22607   165.19125
   60    50 S   OH   _O38    74     1.44488   107.59696  -174.98155
   61    60 S   HO   _H40    75     0.97297   107.95897   -74.22914
   62    52 S   CM   _C11    84     1.45706   126.81677   175.13599
   63    58 S   CM   _C24    48     1.34291   127.82240   -16.33707
   64    63 S   HC   _H29    49     1.08571   120.52075    -0.52786
   65    62 S   CM   _C10    85     1.34764   120.23486   -61.10393
   66    65 S   HC   _H19    86     1.09169   117.89316     1.36788
   67    62 S   CT   _C12   106     1.50206   113.62398   122.27977
   68    67 S   HC   _H20   107     1.09581   110.46901    60.32964
   69    67 S   HC   _H21   108     1.09162   113.56883  -179.17861
   70    67 S   HC   _H22   109     1.09597   110.24610   -59.24620
   71    63 S   CM   _C25    50     1.44713   122.98368  -179.70261
   72    71 S   HC   _H30    51     1.08777   117.09534    -0.06561
   73    65 S   CT   _C8_    87     1.51139   128.26859  -176.89146
   74    73 S   HC   _H3_    88     1.09377   111.41750    -1.66295
   75    71 S   CM   _C26    52     1.34174   122.90835   179.97202
   76    75 S   HC   _H31    53     1.08798   119.91971    -0.01978
   77    73 S   CT   _C9_    89     1.53129   109.07777  -119.79699
   78    77 S   HC   _H16    90     1.09604   111.62002   -61.67472
   79    77 S   HC   _H17    91     1.09586   110.96413    58.76537
   80    77 S   HC   _H18    92     1.09540   110.68335   178.22073
   81    73 S   CT   _C7_    93     1.54211   111.01941   118.69803
   82    81 S   HC   _H14    94     1.09772   109.08375   173.19611
   83    81 S   HC   _H15    95     1.09795   109.93409    56.72461
   84    75 S   CM   _C27    54     1.44696   123.02029   179.96044
   85    84 S   HC   _H32    55     1.08751   116.88687     0.02798
   86    81 S   CT   _C6_    96     1.53363   112.97673   -65.88686
   87    86 S   HC   _H12    97     1.09544   110.39241    58.07173
   88    86 S   HC   _H13    98     1.09681   109.45021   -59.46624
   89    84 S   CM   _C28    56     1.34049   122.70414  -179.98022
   90    89 S   HC   _H33    57     1.08492   121.43227    -0.00000
   91    86 S   CT   _C5_    99     1.52883   111.21626   179.25087
   92    91 S   HC   _H10   100     1.09611   109.87532    60.27517
   93    91 S   HC   _H11   101     1.09626   109.88150   -57.50557
   94    89 S   C    _C29    58     1.48825   120.05617  -180.00000
   95    94 S   O    _O35    59     1.22619   122.66918    -0.41684
   96    91 S   CT   _C4_   102     1.52031   111.43421  -178.47877
   97    96 S   HC   _H7_   103     1.09483   110.96874    60.47456
   98    96 S   HC   _H8_   104     1.09446   110.26251  -179.83214
   99    96 S   HC   _H9_   105     1.09464   111.01042   -60.04772
  100    94 S   N    _N5_    60     1.38318   112.05178   179.66312
  101   100 S   H    _H34    61     1.01574   119.85579    -0.32686
  102   100 S   CT1  _C30    62     1.44277   121.93236  -179.22722
  103   102 S   HC   _H35    63     1.09353   112.60519   -30.58046
  104   102 S   CO4  _C31    64     1.51024   110.76824  -154.41868
  105   104 S   O    _O36    65     1.22388   124.77197    50.47979
  106   104 S   CT   _C32    66     1.50867   111.25657  -131.53266
  107   106 S   HC   _H36    67     1.09281   110.92088   140.36586
  108   106 S   HC   _H37    68     1.09426   108.58929   -98.69291
  109   106 S   CT   _C33    69     1.52913   104.93802    19.91833
  110   109 S   HC   _H38    70     1.09280   111.41286  -137.76680
  111   109 S   HC   _H39    71     1.09443   110.57105    99.60948
  112   102 S   CO4  _C34    72     1.51310   110.32476    92.27101
  113   112 S   O    _O37    73     1.22436   124.82201   -56.80394
  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
  17   7   2   1   1  14  10   5   8   3   7   4   9   3   8   4
   9   8   2  13   4   4   2   1   1   8   4   2   1  10   6   3
  15   5   4   2   1   1   6   3  12   8   6   3   7   3   2   1
   9   5   4   6   3   9   5   4   6   3   6   5   4   7   3   3
   2   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    50    58    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    50    58    59    63    60    61    51    41    42    45  
   38    39    47    50    58    60    41  
   36    37  
   37  
    0  
   39    40    43    44    47    50    58    60    51    41    42    45    46    49  
   40    43    44    47    48    50    51    41    42    45  
   43    44    47    51    41  
   42    45    46    49    52    54    43    50  
   45    46    49  
   44    47    48    50    58    60    51  
   47    48    50    51  
   46    49    52    53    62    54    55    56    57  
   49    52    54  
   48    50    58    59    63    60    61    51  
   50    58    60    51  
   52    53    62    65    67    54    55    56    57  
   58    59    63    64    71    60    61    51  
   58    60  
   53    62    65    66    73    67    68    69    70    54    55    56    57  
   62    65    67    54  
   55    56    57    62  
   56    57  
   57  
    0  
   59    63    64    71    72    75    60    61  
   63    64    71    60  
   61    63  
    0  
   65    66    73    74    77    81    67    68    69    70  
   64    71    72    75    76    84  
   71    72    75  
   66    73    74    77    78    79    80    81    82    83    86    67    68    69    70  
   73    74    77    81    67  
   68    69    70    73  
   69    70  
   70  
    0  
   72    75    76    84    85    89  
   75    76    84  
   74    77    78    79    80    81    82    83    86    87    88    91  
   77    78    79    80    81    82    83    86  
   76    84    85    89    90    94  
   84    85    89  
   78    79    80    81    82    83    86  
   79    80    81  
   80    81  
   81  
   82    83    86    87    88    91    92    93    96  
   83    86    87    88    91  
   86    87    88    91  
   85    89    90    94    95   100  
   89    90    94  
   87    88    91    92    93    96    97    98    99  
   88    91    92    93    96  
   91    92    93    96  
   90    94    95   100   101   102  
   94    95   100  
   92    93    96    97    98    99  
   93    96    97    98    99  
   96    97    98    99  
   95   100   101   102   103   104   112  
  100   101   102  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105   106   109   112   113  
  102   103   104   112  
  103   104   105   106   107   108   109   110   111   112   113  
  104   105   106   109   112   113  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   112  
  107   108   109   110   111   112   113  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   42   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   43   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  101   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  102   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  113   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    50   268.000  1.529
   38    39   465.000  1.376
   38    41   400.000  1.384
   39    40   745.000  1.250
   39    43   305.000  1.480
   43    44   340.000  1.088
   43    47   260.000  1.509
   43    51   335.000  1.432
   47    48   340.000  1.088
   47    50   275.000  1.510
   47    51   335.000  1.432
   50    58   317.000  1.510
   50    60   320.000  1.410
   58    59   340.000  1.080
   58    63   549.000  1.340
   63    64   340.000  1.080
   63    71   380.000  1.444
   71    72   340.000  1.080
   71    75   549.000  1.340
   75    76   340.000  1.080
   75    84   380.000  1.444
   84    85   340.000  1.080
   84    89   549.000  1.340
   89    90   340.000  1.080
   89    94   410.000  1.444
   94    95   570.000  1.229
   94   100   490.000  1.335
  100   101   434.000  1.010
  100   102   337.000  1.449
  102   103   340.000  1.090
  102   104   255.000  1.522
  102   112   255.000  1.522
  104   105   570.000  1.229
  104   106   317.000  1.522
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   317.000  1.522
  112   113   570.000  1.229
   60    61   553.000  0.945
   41    42   434.000  1.010
   41    45   490.000  1.335
   45    46   570.000  1.229
   45    49   410.000  1.444
   49    52   549.000  1.340
   49    54   317.000  1.510
   52    53   340.000  1.080
   52    62   380.000  1.444
   62    65   549.000  1.340
   62    67   317.000  1.510
   65    66   340.000  1.080
   65    73   317.000  1.510
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    50    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  113.82800
   33    50    47    70.00000  112.37300
   33    50    58    70.00000  112.02700
   33    50    60    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    45.00000  117.55000
   38    41    45    70.00000  120.89900
   39    43    44    40.00000  112.45000
   39    43    47    60.00000  120.58800
   39    43    51    85.00000  114.23300
   43    39    40    85.00000  112.85300
   43    47    48    37.50000  117.20000
   43    47    50    60.00000  120.94000
   43    47    51    15.00000   60.43100
   43    51    47    15.00000   59.14900
   47    43    44    37.50000  117.20000
   47    50    58    70.00000  112.02700
   47    50    60    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    47    48    40.00000  115.04500
   50    58    59    35.00000  117.00000
   50    58    63    70.00000  124.00000
   50    60    61    55.00000  108.50000
   58    63    64    35.00000  120.00000
   58    63    71    70.00000  123.01800
   63    58    59    35.00000  120.00000
   63    71    72    35.00000  120.00000
   63    71    75    70.00000  123.01800
   71    63    64    35.00000  120.00000
   71    75    76    35.00000  120.00000
   71    75    84    70.00000  123.01800
   75    71    72    35.00000  120.00000
   75    84    85    35.00000  120.00000
   75    84    89    70.00000  123.01800
   84    75    76    35.00000  120.00000
   84    89    90    35.00000  120.00000
   84    89    94    70.00000  118.70000
   89    84    85    35.00000  120.00000
   89    94    95    80.00000  125.30000
   89    94   100    80.00000  111.56200
   94    89    90    35.00000  119.70000
   94   100   101    35.00000  119.80000
   94   100   102    50.00000  121.90000
  100    94    95    80.00000  122.90000
  100   102   103    35.00000  109.50000
  100   102   104    80.00000  110.29000
  100   102   112    80.00000  110.29000
  102   100   101    38.00000  118.40000
  102   104   105    75.00000  123.42600
  102   104   106    65.00000  117.09000
  102   112   109    65.00000  117.09000
  102   112   113    75.00000  123.42600
  104   102   103    45.00000  110.09800
  104   106   107    35.00000  109.50000
  104   106   108    35.00000  109.50000
  104   106   109    63.00000  111.10000
  106   104   105    80.00000  120.40000
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  106   109   112    63.00000  111.10000
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  109   112   113    80.00000  120.40000
  111   109   110    33.00000  107.80000
  112   102   103    45.00000  110.09800
  112   102   104    65.00000  112.16000
  112   109   110    35.00000  109.50000
  112   109   111    35.00000  109.50000
   60    50    58    90.00000  110.39200
   51    43    44    50.00000  114.27700
   51    43    47    15.00000   60.43100
   51    47    48    50.00000  114.27700
   51    47    50    80.00000  116.47100
   41    38    39    75.00000  120.83300
   41    45    46    80.00000  122.90000
   41    45    49    80.00000  111.56200
   45    41    42    35.00000  119.80000
   45    49    52    70.00000  118.70000
   45    49    54    70.00000  119.70000
   49    45    46    80.00000  125.30000
   49    52    53    35.00000  120.00000
   49    52    62    70.00000  123.01800
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   52    62    65    70.00000  123.01800
   52    62    67    70.00000  124.00000
   62    52    53    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    73    70.00000  124.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   65    73    74    35.00000  109.50000
   65    73    77    70.00000  112.02700
   65    73    81    70.00000  112.02700
   73    65    66    35.00000  117.00000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   73    81    82    37.50000  110.70000
   73    81    83    37.50000  110.70000
   73    81    86    58.35000  112.70000
   77    73    74    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    73    74    37.50000  110.70000
   81    73    77    58.35000  112.70000
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    91    58.35000  112.70000
   83    81    82    33.00000  107.80000
   86    81    82    37.50000  110.70000
   86    81    83    37.50000  110.70000
   86    91    92    37.50000  110.70000
   86    91    93    37.50000  110.70000
   86    91    96    58.35000  112.70000
   88    86    87    33.00000  107.80000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    37.50000  110.70000
   93    91    92    33.00000  107.80000
   96    91    92    37.50000  110.70000
   96    91    93    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   67    62    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    49    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   86    91    96    98   0.15000  1.0 3.0
   86    91    96    99   0.15000  1.0 3.0
   87    86    91    92   0.15000  1.0 3.0
   87    86    91    93   0.15000  1.0 3.0
   87    86    91    96   0.15000  1.0 3.0
   88    86    91    92   0.15000  1.0 3.0
   88    86    91    93   0.15000  1.0 3.0
   88    86    91    96   0.15000  1.0 3.0
   92    91    96    97   0.15000  1.0 3.0
   92    91    96    98   0.15000  1.0 3.0
   92    91    96    99   0.15000  1.0 3.0
   93    91    96    97   0.15000  1.0 3.0
   93    91    96    98   0.15000  1.0 3.0
   93    91    96    99   0.15000  1.0 3.0
   67    62    65    66   7.00000 -1.0 2.0
   67    62    65    73   7.00000 -1.0 2.0
   54    49    52    53   7.00000 -1.0 2.0
   54    49    52    62   7.00000 -1.0 2.0
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    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   50    59    58    63  15.00000 -1.0 2.0
   71    64    63    58  15.00000 -1.0 2.0
   63    72    71    75  15.00000 -1.0 2.0
   84    76    75    71  15.00000 -1.0 2.0
   75    85    84    89  15.00000 -1.0 2.0
   94    90    89    84  15.00000 -1.0 2.0
   89   100    94    95  10.50000 -1.0 2.0
  101    94   100   102   1.00000 -1.0 2.0
  102   106   104   105  10.50000 -1.0 2.0
  102   109   112   113  10.50000 -1.0 2.0
   42    45    41    38   1.00000 -1.0 2.0
   41    49    45    46  10.50000 -1.0 2.0
   45    54    49    52  15.00000 -1.0 2.0
   62    53    52    49  15.00000 -1.0 2.0
   52    67    62    65  15.00000 -1.0 2.0
   73    66    65    62  15.00000 -1.0 2.0
END
