* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    227    369     690
    1     0 S   NP   _N1_     1    28.49987    94.29472   -20.96249
    2     1 S   H    _HN1     2     1.02783    94.77911   -92.70672
    3     1 S   H    _H1_     3     1.02946    83.98154    15.36952
    4     1 S   H    _H2_     4     1.02828    32.42118   150.92443
    5     1 S   CT   _CA1     5     1.50187   141.89508   131.01364
    6     5 S   HC   _HA1     6     1.09563   105.10505    70.55793
    7     5 S   CO3  _C1_     7     1.53805   112.52867   -49.51399
    8     7 S   O2Z  _O11     8     1.26404   114.98009   -35.73844
    9     7 S   O2Z  _O12     9     1.26231   115.00701   143.33797
   10     5 S   CT   _CB1    10     1.53095   107.38486  -171.32307
   11    10 S   HC   HB11    11     1.09836   109.41422   -46.49468
   12    10 S   HC   HB12    12     1.09814   110.36746    70.10641
   13    10 S   CT   _CG1    13     1.53052   112.79602  -167.37783
   14    13 S   HC   HG11    14     1.09538   110.71178   -66.77040
   15    13 S   HC   HG12    15     1.09662   109.76058    52.48609
   16    13 S   C    _CD1    16     1.51879   112.03675   172.92385
   17    16 S   O    _OE1    17     1.22752   123.14139    10.63573
   18    16 S   N    _N2_    18     1.38647   111.85795  -169.82053
   19    18 S   H    _HN2    19     1.01580   118.99551     1.08769
   20    18 S   CT1  _CA2    20     1.46391   123.37995   178.12070
   21    20 S   HC   _HA2    21     1.09742   109.36506    -3.27477
   22    20 S   C    _C2_    22     1.53428   108.42702  -118.70154
   23    22 S   O    _O2_    23     1.23029   122.34900  -147.95282
   24    20 S   CT   _CB2    32     1.53473   111.47943   118.80604
   25    24 S   HC   HB21    33     1.09171   109.31067    58.58376
   26    24 S   HC   HB22    34     1.09517   110.35333   176.63175
   27    22 S   N    _N3_    24     1.38355   113.51312    39.48838
   28    27 S   H    _HN3    25     1.01615   119.49082    -3.47964
   29    24 S   S    _SG2    35     1.82852   110.45728   -64.71882
   30    27 S   CT   _CA3    26     1.45275   123.22949   177.07919
   31    30 S   HC   HA31    27     1.09549   107.52430   -64.22373
   32    30 S   HC   HA32    28     1.09556   107.96891    52.21167
   33    29 S   CT   _C21    36     1.90419   103.57497   149.60977
   34    30 S   CO3  _C3_    29     1.52958   114.06874   174.19721
   35    34 S   O2Z  _O31    30     1.26378   116.06170    -0.65671
   36    34 S   O2Z  _O32    31     1.26425   114.41890   179.40324
   37    33 S   CT   _C26    37     1.53844   107.46929    56.04749
   38    37 S   HC   _H34    38     1.09532   111.80655   -58.12109
   39    37 S   HC   _H35    39     1.09532   111.57808  -176.07594
   40    33 S   CT   _C20   102     1.55137   107.86169   -64.45376
   41    40 S   HC   _H28   103     1.09741   109.25267   173.14159
   42    40 S   HC   _H29   104     1.09395   111.97402    58.37157
   43    37 S   CO4  _C25    40     1.51704   111.23062    63.59373
   44    43 S   O    _O33    41     1.23184   120.92876  -137.53012
   45    43 S   CT   _C24    42     1.51422   117.85890    48.32948
   46    45 S   HC   _H32    43     1.09505   107.57797    81.87377
   47    45 S   HC   _H33    44     1.09602   108.47955  -162.60359
   48    45 S   CT   _C23    45     1.53133   113.78280   -41.21898
   49    48 S   HC   _H30    46     1.09695   107.53513   166.64694
   50    48 S   HC   _H31    47     1.09624   108.96877   -79.74792
   51    33 S   CT   _C22    48     1.60285   110.52302   175.49107
   52    51 S   CT   _C17    49     1.57522   108.08801    63.09063
   53    52 S   HC   _H8_    50     1.09002   104.85393   -58.80147
   54    51 S   CT   _C27   109     1.55902   112.51398  -176.04889
   55    54 S   HC   _H36   110     1.09155   113.43171   -55.44517
   56    54 S   HC   _H37   111     1.09559   110.81559  -176.24777
   57    54 S   HC   _H38   112     1.09332   112.71067    64.80205
   58    52 S   CT   _C16    51     1.53763   118.21847  -173.65208
   59    58 S   HC   _H24    52     1.09426   111.57344    45.47900
   60    58 S   HC   _H25    53     1.09674   109.95076   -72.67342
   61    58 S   CT   _C15    54     1.55232   111.57637   166.21238
   62    61 S   HC   _H22    55     1.09158   107.26270   158.58240
   63    61 S   HC   _H23    56     1.09797   108.14429   -89.24314
   64    61 S   CT   _C14    57     1.55132   114.20467    32.89688
   65    64 S   CT   _C13    58     1.53992   110.10131    25.01801
   66    65 S   HC   _H7_    59     1.09991   106.64112    59.14803
   67    64 S   CT   _C28   105     1.56300   108.55018   -98.52492
   68    67 S   HC   _H39   106     1.09404   112.31295  -176.41166
   69    67 S   HC   _H40   107     1.08878   114.18236    62.47459
   70    67 S   HC   _H41   108     1.09696   110.19404   -57.91341
   71    65 S   CT   _C12    60     1.51991   104.30298   169.84042
   72    71 S   HC   _H20    61     1.09478   112.12440  -159.93287
   73    71 S   HC   _H21    62     1.09455   112.24851    78.85514
   74    52 S   CT   _C18    97     1.55775   111.19758    58.68738
   75    74 S   HC   _H9_    98     1.09786   107.73053    55.14850
   76    71 S   CT   _C11    63     1.53431   103.30984   -39.93672
   77    76 S   HC   _H18    64     1.09514   110.30515   141.56657
   78    76 S   HC   _H19    65     1.09382   109.34455  -101.59815
   79    74 S   CT   _C19    99     1.52906   111.31111   -58.99137
   80    79 S   HC   _H26   100     1.09461   110.51638   -68.73509
   81    79 S   HC   _H27   101     1.09652   109.98997   174.02345
   82    64 S   CT   _C10    66     1.57430   118.52426   141.35244
   83    82 S   HC   _H6_    67     1.09627   106.12017    96.49854
   84    82 S   CT   _C8_    68     1.56043   120.07699   -22.29034
   85    84 S   HC   _H5_    69     1.09835   107.61072    57.78327
   86    84 S   CT   _C9_    70     1.54083   114.19392   -60.16072
   87    86 S   HC   _H15    71     1.09408   111.79495   -64.20851
   88    86 S   HC   _H16    72     1.09130   112.39553    57.53031
   89    86 S   HC   _H17    73     1.09534   111.04896   175.97148
   90    84 S   CT   _C7_    74     1.56469   113.05600   174.80997
   91    90 S   HC   _H4_    75     1.09488   108.88451    69.92327
   92    90 S   CT   _C6_    76     1.54032   114.02619   -53.55186
   93    92 S   HC   _H13    77     1.09451   110.21123    62.45067
   94    92 S   HC   _H14    78     1.09853   107.90553   -53.62897
   95    90 S   OH   _O34    95     1.43159   107.67043  -173.96113
   96    95 S   HO   _H42    96     0.97167   107.79375  -162.92304
   97    92 S   CT   _C5_    79     1.55121   115.81505  -174.21351
   98    97 S   HC   _H3_    80     1.09831   107.57936    62.22715
   99    97 S   CT   _C4_    81     1.53672   108.48666   176.72637
  100    99 S   HC   _H10    82     1.09433   111.78374    64.02279
  101    99 S   HC   _H11    83     1.09367   111.63796  -174.37009
  102    99 S   HC   _H12    84     1.09587   110.44767   -55.60792
  103    97 S   CT   _C29    85     1.55627   113.70273   -56.51632
  104   103 S   HC   _H43    86     1.09675   107.86920    59.00749
  105   103 S   CT   _C30    87     1.53332   111.92677   175.07928
  106   105 S   HC   _H44    88     1.09444   111.97350    70.34626
  107   105 S   HC   _H45    89     1.09491   110.93540   -50.95151
  108   105 S   HC   _H46    90     1.09570   110.38851  -170.10527
  109   103 S   CT   _C31    91     1.53143   113.99050   -59.89469
  110   109 S   HC   _H47    92     1.09426   111.82644   -62.54499
  111   109 S   HC   _H48    93     1.09579   110.38794   177.88289
  112   109 S   HC   _H49    94     1.09370   111.58263    58.97174
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21
  19   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1
   1  11   4  13   8   7   3   2   1  10   6  14   6   5   2   1
  15   8   7   3   2   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    79    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    74    79    80    81    40    41    42    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    79    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    54    43    48    51    52    65    74    75    79    80    81  
   42    51    74    79    80    81  
   51    74    79    80    81  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    74    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    61    65    74    75    79    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    74    75    79    80    81    54    55    56    57  
   58    59    60    61    65    74    75    79    54  
   55    56    57    58    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    82    74    75    79    67  
   60    61    62    63    64    74  
   61    62    63    64    74  
   62    63    64    65    66    71    76    82    83    84    74    67    68    69    70  
   63    64    65    82    67  
   64    65    82    67  
   65    66    71    72    73    76    77    78    82    83    84    85    86    90    74    75    79    67    68    69    70  
   66    71    72    73    76    77    78    82    83    84    74    75    79    80    81    67    68    69    70  
   71    72    73    76    82    74    75    79    67  
   68    69    70    71    74    76    82    83    84  
   69    70    82  
   70    82  
   82  
   72    73    76    77    78    82    83    84    74    75    79  
   73    76    77    78    82    74  
   76    77    78    82    74  
   75    79    80    81    76    82  
   79    80    81  
   77    78    82    83    84    85    86    90  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91    92    95  
   84    85    86    90  
   85    86    87    88    89    90    91    92    93    94    97    95    96  
   86    87    88    89    90    91    92    95  
   87    88    89    90    91    92    95  
   88    89    90  
   89    90  
   90  
   91    92    93    94    97    98    99   103    95    96  
   92    93    94    97    95    96  
   93    94    97    98    99   100   101   102   103   104   105   109    95    96  
   94    97    98    99   103    95  
   97    98    99   103    95  
   96    97  
    0  
   98    99   100   101   102   103   104   105   106   107   108   109   110   111   112  
   99   100   101   102   103   104   105   109  
  100   101   102   103   104   105   109  
  101   102   103  
  102   103  
  103  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    82   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    95   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    97   268.000  1.529
   97    98   340.000  1.090
   97    99   268.000  1.529
   97   103   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   340.000  1.090
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   95    96   553.000  0.945
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    41   340.000  1.090
   40    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    74    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    74    65    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    79    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    82    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    82    76    58.35000  112.70000
   64    82    83    37.50000  110.70000
   64    82    84    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    64    65    58.35000  112.70000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    58.35000  112.70000
   82    84    90    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    37.50000  110.70000
   84    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    58.35000  112.70000
   84    90    95    50.00000  109.50000
   86    84    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    84    85    37.50000  110.70000
   90    84    86    58.35000  112.70000
   90    92    93    37.50000  110.70000
   90    92    94    37.50000  110.70000
   90    92    97    58.35000  112.70000
   90    95    96    55.00000  108.50000
   92    90    91    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    58.35000  112.70000
   92    97   103    58.35000  112.70000
   94    92    93    33.00000  107.80000
   97    92    93    37.50000  110.70000
   97    92    94    37.50000  110.70000
   97    99   100    37.50000  110.70000
   97    99   101    37.50000  110.70000
   97    99   102    37.50000  110.70000
   97   103   104    37.50000  110.70000
   97   103   105    58.35000  112.70000
   97   103   109    58.35000  112.70000
   99    97    98    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    97    98    37.50000  110.70000
  103    97    99    58.35000  112.70000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  105   103   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    37.50000  110.70000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   95    90    91    35.00000  109.50000
   95    90    92    50.00000  109.50000
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    40    58.35000  112.70000
   79    74    75    37.50000  110.70000
   79    40    41    37.50000  110.70000
   79    40    42    37.50000  110.70000
   81    79    80    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   42    40    41    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    58.35000  112.70000
   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
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   82    84    90    91   0.15000  1.0 3.0
   82    84    90    92   0.56750  1.0 1.0
   82    84    90    92  -0.07550 -1.0 2.0
   82    84    90    92   0.20000  1.0 3.0
   82    84    90    95   0.86500  1.0 1.0
   82    84    90    95  -0.17500 -1.0 2.0
   82    84    90    95   0.20800  1.0 3.0
   83    82    84    85   0.15000  1.0 3.0
   83    82    84    86   0.15000  1.0 3.0
   83    82    84    90   0.15000  1.0 3.0
   84    90    92    93   0.15000  1.0 3.0
   84    90    92    94   0.15000  1.0 3.0
   84    90    92    97   0.56750  1.0 1.0
   84    90    92    97  -0.07550 -1.0 2.0
   84    90    92    97   0.20000  1.0 3.0
   84    90    95    96  -0.11600  1.0 1.0
   84    90    95    96  -0.09450 -1.0 2.0
   84    90    95    96   0.21250  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    89   0.15000  1.0 3.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    92   0.15000  1.0 3.0
   85    84    90    95   0.23400  1.0 3.0
   86    84    90    91   0.15000  1.0 3.0
   86    84    90    92   0.56750  1.0 1.0
   86    84    90    92  -0.07550 -1.0 2.0
   86    84    90    92   0.20000  1.0 3.0
   86    84    90    95   0.86500  1.0 1.0
   86    84    90    95  -0.17500 -1.0 2.0
   86    84    90    95   0.20800  1.0 3.0
   90    84    86    87   0.15000  1.0 3.0
   90    84    86    88   0.15000  1.0 3.0
   90    84    86    89   0.15000  1.0 3.0
   90    92    97    98   0.15000  1.0 3.0
   90    92    97    99   0.56750  1.0 1.0
   90    92    97    99  -0.07550 -1.0 2.0
   90    92    97    99   0.20000  1.0 3.0
   90    92    97   103   0.56750  1.0 1.0
   90    92    97   103  -0.07550 -1.0 2.0
   90    92    97   103   0.20000  1.0 3.0
   91    90    92    93   0.15000  1.0 3.0
   91    90    92    94   0.15000  1.0 3.0
   91    90    92    97   0.15000  1.0 3.0
   91    90    95    96   0.19450  1.0 3.0
   92    90    95    96  -0.11600  1.0 1.0
   92    90    95    96  -0.09450 -1.0 2.0
   92    90    95    96   0.21250  1.0 3.0
   92    97    99   100   0.15000  1.0 3.0
   92    97    99   101   0.15000  1.0 3.0
   92    97    99   102   0.15000  1.0 3.0
   92    97   103   104   0.15000  1.0 3.0
   92    97   103   105   0.56750  1.0 1.0
   92    97   103   105  -0.07550 -1.0 2.0
   92    97   103   105   0.20000  1.0 3.0
   92    97   103   109   0.56750  1.0 1.0
   92    97   103   109  -0.07550 -1.0 2.0
   92    97   103   109   0.20000  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   103   0.15000  1.0 3.0
   94    92    97    98   0.15000  1.0 3.0
   94    92    97    99   0.15000  1.0 3.0
   94    92    97   103   0.15000  1.0 3.0
   97   103   105   106   0.15000  1.0 3.0
   97   103   105   107   0.15000  1.0 3.0
   97   103   105   108   0.15000  1.0 3.0
   97   103   109   110   0.15000  1.0 3.0
   97   103   109   111   0.15000  1.0 3.0
   97   103   109   112   0.15000  1.0 3.0
   98    97    99   100   0.15000  1.0 3.0
   98    97    99   101   0.15000  1.0 3.0
   98    97    99   102   0.15000  1.0 3.0
   98    97   103   104   0.15000  1.0 3.0
   98    97   103   105   0.15000  1.0 3.0
   98    97   103   109   0.15000  1.0 3.0
   99    97   103   104   0.15000  1.0 3.0
   99    97   103   105   0.56750  1.0 1.0
   99    97   103   105  -0.07550 -1.0 2.0
   99    97   103   105   0.20000  1.0 3.0
   99    97   103   109   0.56750  1.0 1.0
   99    97   103   109  -0.07550 -1.0 2.0
   99    97   103   109   0.20000  1.0 3.0
  103    97    99   100   0.15000  1.0 3.0
  103    97    99   101   0.15000  1.0 3.0
  103    97    99   102   0.15000  1.0 3.0
  104   103   105   106   0.15000  1.0 3.0
  104   103   105   107   0.15000  1.0 3.0
  104   103   105   108   0.15000  1.0 3.0
  104   103   109   110   0.15000  1.0 3.0
  104   103   109   111   0.15000  1.0 3.0
  104   103   109   112   0.15000  1.0 3.0
  105   103   109   110   0.15000  1.0 3.0
  105   103   109   111   0.15000  1.0 3.0
  105   103   109   112   0.15000  1.0 3.0
  109   103   105   106   0.15000  1.0 3.0
  109   103   105   107   0.15000  1.0 3.0
  109   103   105   108   0.15000  1.0 3.0
   95    90    92    93   0.23400  1.0 3.0
   95    90    92    94   0.23400  1.0 3.0
   95    90    92    97   0.86500  1.0 1.0
   95    90    92    97  -0.17500 -1.0 2.0
   95    90    92    97   0.20800  1.0 3.0
   74    52    58    59   0.15000  1.0 3.0
   74    52    58    60   0.15000  1.0 3.0
   74    52   -58    61   0.56750  1.0 1.0
   74    52   -58    61  -0.07550 -1.0 2.0
   74    52   -58    61   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    79   -40    33   0.56750  1.0 1.0
   74    79   -40    33  -0.07550 -1.0 2.0
   74    79   -40    33   0.20000  1.0 3.0
   74    79    40    41   0.15000  1.0 3.0
   74    79    40    42   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    40   0.15000  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.15000  1.0 3.0
   80    79    40    42   0.15000  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    41   0.15000  1.0 3.0
   81    79    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.56750  1.0 1.0
   67    64    65    74  -0.07550 -1.0 2.0
   67    64    65    74   0.20000  1.0 3.0
   67    64    82    76   0.56750  1.0 1.0
   67    64    82    76  -0.07550 -1.0 2.0
   67    64    82    76   0.20000  1.0 3.0
   67    64    82    83   0.15000  1.0 3.0
   67    64    82    84   0.56750  1.0 1.0
   67    64    82    84  -0.07550 -1.0 2.0
   67    64    82    84   0.20000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    74   0.56750  1.0 1.0
   54    51    52    74  -0.07550 -1.0 2.0
   54    51    52    74   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
END
