* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    218    343     653
    1     0 S   NP   _N1_     1    28.53351    94.30011   -22.13811
    2     1 S   H    _HN1     2     1.02778    95.93280   -75.58586
    3     1 S   H    _H1_     3     1.02958    87.53723    32.60132
    4     1 S   H    _H2_     4     1.02837    28.22842   167.03665
    5     1 S   CT   _CA1     5     1.50117   138.21613   150.97229
    6     5 S   HC   _HA1     6     1.09575   105.23006    67.15744
    7     5 S   CO3  _C1_     7     1.53796   112.41090   -53.05459
    8     7 S   O2Z  _O11     8     1.26363   115.00040   -43.10165
    9     7 S   O2Z  _O12     9     1.26242   114.93061   136.09293
   10     5 S   CT   _CB1    10     1.53100   107.43382  -174.91227
   11    10 S   HC   HB11    11     1.09824   109.35245   -50.61458
   12    10 S   HC   HB12    12     1.09821   110.40767    65.95027
   13    10 S   CT   _CG1    13     1.53001   112.65976  -171.71454
   14    13 S   HC   HG11    14     1.09601   110.42341   -63.66501
   15    13 S   HC   HG12    15     1.09652   109.99724    55.55468
   16    13 S   C    _CD1    16     1.51811   112.35362   175.92729
   17    16 S   O    _OE1    17     1.22717   123.28203    -2.53435
   18    16 S   N    _N2_    18     1.38627   111.58842   177.63561
   19    18 S   H    _HN2    19     1.01582   118.99729     1.45050
   20    18 S   CT1  _CA2    20     1.46202   123.42078  -179.29612
   21    20 S   HC   _HA2    21     1.09739   109.44980    -8.31742
   22    20 S   C    _C2_    22     1.53429   108.34152  -123.96927
   23    22 S   O    _O2_    23     1.23020   122.22280  -145.06173
   24    20 S   CT   _CB2    32     1.53517   111.37999   113.77704
   25    24 S   HC   HB21    33     1.09369   109.46248    56.30045
   26    24 S   HC   HB22    34     1.09473   109.78574   174.91473
   27    22 S   N    _N3_    24     1.38501   113.40554    42.26206
   28    27 S   H    _HN3    25     1.01516   118.93979    -0.55107
   29    24 S   S    _SG2    35     1.82902   111.21771   -66.11748
   30    27 S   CT   _CA3    26     1.45449   123.44077   175.09388
   31    30 S   HC   HA31    27     1.09523   109.23952    24.48471
   32    30 S   HC   HA32    28     1.09496   107.12522   141.49287
   33    29 S   CT   _C17    36     1.90048   102.93813   162.59328
   34    30 S   CO3  _C3_    29     1.52925   113.09724   -98.98924
   35    34 S   O2Z  _O31    30     1.26403   115.39795   -44.60556
   36    34 S   O2Z  _O32    31     1.26354   114.98500   136.31778
   37    33 S   CT   _C16    37     1.53258   111.82325    44.64960
   38    37 S   HC   _H6_    38     1.09230   113.69761   -50.88953
   39    33 S   CT   _C30   110     1.54379   104.17208   -76.23793
   40    39 S   HC   _H37   111     1.09217   112.69144   169.93823
   41    39 S   HC   _H38   112     1.09524   111.56460    53.03754
   42    37 S   CT   _C15    39     1.53495   105.63135    70.71334
   43    42 S   HC   _H21    40     1.09562   110.34285   -92.49255
   44    42 S   HC   _H22    41     1.09444   111.57433   147.83070
   45    37 S   OS   _O36    57     1.43079   108.65422  -167.59657
   46    39 S   OH   _O40   113     1.42184   111.74880   -67.36334
   47    46 S   HO   _H39   114     0.97244   107.21893   178.20496
   48    42 S   CT   _C14    42     1.54360   105.18061    27.17723
   49    48 S   HC   _H5_    43     1.08859   110.74992   127.36653
   50    33 S   CT   _C18    44     1.61019   112.50688   153.15673
   51    48 S   OS   _O35    91     1.44425   110.74011  -115.35473
   52    50 S   CT   _C19    45     1.63486   112.29710   177.67737
   53    50 S   CT   _C29   106     1.54220   112.38069    50.26051
   54    53 S   HC   _H34   107     1.09257   112.15445    69.13770
   55    53 S   HC   _H35   108     1.09282   113.08158   -50.98928
   56    53 S   HC   _H36   109     1.08988   111.91500  -169.64858
   57    52 S   CT   _C20    46     1.56407   111.84716   -78.80565
   58    57 S   HC   _H23    47     1.08462   111.88304    48.57569
   59    57 S   HC   _H24    48     1.09702   110.52706   -67.74647
   60    52 S   CT   _C26    62     1.58649   114.03117   162.80098
   61    60 S   HC   _H31    63     1.09611   110.05196   178.70020
   62    60 S   HC   _H32    64     1.09367   112.07373   -64.83940
   63    57 S   CT   _C21    49     1.53338   115.17443   170.21216
   64    63 S   HC   _H25    50     1.09753   107.83772  -162.39257
   65    63 S   HC   _H26    51     1.09666   110.07849    82.26677
   66    60 S   OS   _O37    65     1.43424   112.41396    56.83475
   67    63 S   CM   _C22    52     1.50092   114.03763   -40.56323
   68    66 S   CO4  _C27    66     1.36484   116.51488   162.80909
   69    68 S   O    _O38    67     1.22412   125.80609    -3.27943
   70    67 S   CM   _C23    53     1.34210   122.25547    15.84322
   71    70 S   HC   _H27    54     1.08838   119.04820  -179.86878
   72    67 S   CT   _C25    58     1.50109   115.98762  -164.84742
   73    72 S   HC   _H28    59     1.09485   110.23060   -58.58049
   74    72 S   HC   _H29    60     1.09506   112.22418  -178.62413
   75    72 S   HC   _H30    61     1.09481   110.30319    61.27374
   76    68 S   CT   _C28    68     1.52267   109.79396   177.46789
   77    76 S   HC   _H8_    69     1.09659   107.62697    52.90005
   78    52 S   CT   _C24    55     1.57172   109.59519    45.20686
   79    78 S   HC   _H7_    56     1.09755   108.51247    88.56425
   80    76 S   CT   _C5_    70     1.54590   111.86190   -68.87242
   81    80 S   HC   _H3_    71     1.09522   108.30891    53.07683
   82    76 S   OH   _O39   104     1.42097   109.48364   169.23448
   83    82 S   HO   _H33   105     0.97275   107.60399   -58.99531
   84    80 S   CT   _C6_    72     1.54849   110.09358   171.68575
   85    84 S   HC   _H13    73     1.09774   108.39707    71.51859
   86    84 S   HC   _H14    74     1.09676   109.80858   -44.38390
   87    80 S   CT   _C4_   100     1.53719   111.49561   -65.06175
   88    87 S   HC   _H10   101     1.09504   111.59548   -63.76011
   89    87 S   HC   _H11   102     1.09397   111.45897   175.87090
   90    87 S   HC   _H12   103     1.09476   111.09906    56.83048
   91    84 S   CT   _C7_    75     1.53533   113.76439  -167.80516
   92    91 S   HC   _H15    76     1.09571   108.27873  -129.67053
   93    91 S   HC   _H16    77     1.09345   113.54809   -11.57171
   94    91 S   OS   _O33    78     1.43086   112.21544   114.16384
   95    94 S   CT   _C8_    79     1.43267   114.98253   -73.93119
   96    95 S   HC   _H4_    80     1.09596   109.53936    43.97971
   97    95 S   CM   _C9_    81     1.51114   110.17632   -77.67667
   98    97 S   HC   _H17    82     1.08727   117.31969   -64.58766
   99    95 S   CT   _C31    92     1.54414   108.96000   160.63079
  100    99 S   HC   _H9_    93     1.09685   109.60050   177.20873
  101    97 S   CM   _C10    83     1.34137   122.38827   116.02759
  102   101 S   HC   _H18    84     1.08372   118.10891    -2.40575
  103    99 S   CT   _C32    94     1.52588   111.75046   -61.60857
  104   103 S   HC   _H40    95     1.09530   111.35667    64.14671
  105   103 S   HC   _H41    96     1.09424   111.27092   -57.50028
  106   103 S   HC   _H42    97     1.09549   110.31439  -177.84914
  107    99 S   OH   _O41    98     1.42844   110.22850    58.86011
  108   107 S   HO   _H43    99     0.97227   107.56178   179.26725
  109   101 S   CM   _C11    85     1.44430   124.37752   178.51787
  110   109 S   HC   _H19    86     1.08874   116.05732     2.42802
  111   109 S   CM   _C12    87     1.34218   126.63635  -179.29003
  112   111 S   HC   _H20    88     1.08612   119.26303  -175.38259
  113   111 S   CO4  _C13    89     1.47805   125.71706     0.62776
  114   113 S   O    _O34    90     1.22216   122.52844  -132.27145
  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
  23   2   1   1  18   8  10   4   3  11   6   5  10   2   1  14
   5  18   7  20   6   2   1   1  14   7   6  10   4   3  10   4
   3   7   8   9   4   7   3   4   2   1   1  13   6   1   1  14
   9   3   1  11   6   5   4   2   1   1   7   3   2   9  14   7
  10   4   8   6   6   3   5   3   2   1   1   1   5   3   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    50    52    45    53    39    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    48    49    50    52    57    78    45    60    51    53    54    55    56    39    40    41    46    47  
   35    36  
   36  
    0  
   38    42    43    44    48    49    50    52    70    78    79    45    51    53    39    40    41    46  
   42    43    44    48    50    78    45    39  
   40    41    46    47    42    45    48    50    52    53  
   41    46    47    50  
   46    47    50  
   43    44    48    49    50    52    78    45   113    51    53  
   44    48    49    50    45    51  
   48    49    50    45    51  
   60    48    50    52    57    67    70    71    78    79  
   47    50  
    0  
   49    50    52    57    78    60   111   113   114    51    53    54    55    56  
   50    52   113    51    53  
   52    57    58    59    63    70    78    79    60    61    62    66   113    51    53    54    55    56  
   53    52   109   111   112   113   114  
   57    58    59    63    64    65    67    70    71    78    79    60    61    62    66    68    53    54    55    56  
   54    55    56    57    60    78  
   55    56  
   56  
    0  
   58    59    63    64    65    67    70    78    79    72    60    61    62    66  
   59    63    64    65    67    78    60  
   63    64    65    67    78    60  
   61    62    66    68    69    76    63    70    78    79  
   62    66    68    78  
   66    68    78  
   64    65    67    70    71    78    72    73    74    75  
   65    67    70    72  
   67    70    72  
   68    69    76    77    80    82    78  
   70    71    78    79    72    73    74    75  
   69    76    77    80    81    84    87    82    83  
   76    77    80    82  
   71    78    79    72    73    74    75  
   78    79    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    80    81    84    85    86    91    87    88    89    90    82    83  
   80    81    84    87    82    83  
   79  
    0  
   81    84    85    86    91    92    93    94    87    88    89    90    82    83  
   84    85    86    91    87    88    89    90    82  
   83    84    87  
    0  
   85    86    91    92    93    94    95    87    88    89    90  
   86    91    92    93    94    87  
   91    92    93    94    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92    93    94    95    96    97    99  
   93    94    95  
   94    95  
   95    96    97    98   101    99   100   103   107  
   96    97    98   101   102   109    99   100   103   104   105   106   107   108  
   97    98   101    99   100   103   107  
   98   101   102   109   110   111    99   100   103   107  
  101   102   109    99  
  100   103   104   105   106   107   108   101  
  103   104   105   106   107   108  
  102   109   110   111   112   113  
  109   110   111  
  104   105   106   107   108  
  105   106   107  
  106   107  
  107  
  108  
    0  
  110   111   112   113   114  
  111   112   113  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  109   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  110   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  112   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  113   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.430000   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    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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    57   268.000  1.529
   52    78   268.000  1.529
   52    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   317.000  1.510
   67    70   549.000  1.340
   67    72   317.000  1.510
   70    71   340.000  1.080
   70    78   317.000  1.510
   78    79   340.000  1.090
   78    45   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    76   317.000  1.522
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    82   320.000  1.410
   80    81   340.000  1.090
   80    84   268.000  1.529
   80    87   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   320.000  1.410
   94    95   320.000  1.410
   95    96   340.000  1.090
   95    97   317.000  1.510
   95    99   268.000  1.529
   97    98   340.000  1.080
   97   101   549.000  1.340
  101   102   340.000  1.080
  101   109   380.000  1.444
  109   110   340.000  1.080
  109   111   549.000  1.340
  111   112   340.000  1.080
  111   113   320.000  1.462
  113   114   570.000  1.229
  113    51   214.000  1.327
   99   100   340.000  1.090
   99   103   268.000  1.529
   99   107   320.000  1.410
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    83   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    52    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    45    78    60.00000  109.50000
   42    37    38    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    58.35000  112.70000
   42    48    51    50.00000  109.50000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    53    58.35000  112.70000
   48    51   113    83.00000  116.90000
   50    33    37    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    52    78    58.35000  112.70000
   50    52    60    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    58.35000  112.70000
   52    78    70    70.00000  112.02700
   52    78    79    37.50000  110.70000
   52    78    45    50.00000  109.50000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    66    50.00000  109.50000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    67    70.00000  112.02700
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    67    70    70.00000  124.00000
   63    67    72    65.00000  117.92700
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    70    71    35.00000  120.00000
   67    70    78    70.00000  124.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    45    85.00000  110.90400
   78    52    57    58.35000  112.70000
   78    70    71    35.00000  117.00000
   45    37    38    35.00000  109.50000
   45    37    42    50.00000  109.50000
   45    78    79    35.00000  109.50000
   72    67    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    52    57    58.35000  112.70000
   60    52    78    58.35000  112.70000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    76    81.00000  111.40000
   68    76    77    35.00000  109.50000
   68    76    80    63.00000  111.10000
   68    76    82    90.00000  109.61100
   76    68    69    80.00000  120.40000
   76    80    81    37.50000  110.70000
   76    80    84    58.35000  112.70000
   76    80    87    58.35000  112.70000
   76    82    83    55.00000  108.50000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    91    58.35000  112.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    37.50000  110.70000
   84    80    81    37.50000  110.70000
   84    91    92    37.50000  110.70000
   84    91    93    37.50000  110.70000
   84    91    94    50.00000  109.50000
   86    84    85    33.00000  107.80000
   91    84    85    37.50000  110.70000
   91    84    86    37.50000  110.70000
   91    94    95    60.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95    96    35.00000  109.50000
   94    95    97    85.00000  110.90400
   94    95    99    50.00000  109.50000
   95    97    98    35.00000  117.00000
   95    97   101    70.00000  124.00000
   95    99   100    37.50000  110.70000
   95    99   103    58.35000  112.70000
   95    99   107    50.00000  109.50000
   97    95    96    35.00000  109.50000
   97   101   102    35.00000  120.00000
   97   101   109    70.00000  123.01800
  101    97    98    35.00000  120.00000
  101   109   110    35.00000  120.00000
  101   109   111    70.00000  123.01800
  109   101   102    35.00000  120.00000
  109   111   112    35.00000  120.00000
  109   111   113    65.00000  118.96000
  111   109   110    35.00000  120.00000
  111   113   114    80.00000  123.72100
  111   113    51    90.00000  111.29400
  113   111   112    40.00000  117.72500
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   51   113   114    83.00000  123.40000
   99    95    96    37.50000  110.70000
   99    95    97    70.00000  112.02700
   99   103   104    37.50000  110.70000
   99   103   105    37.50000  110.70000
   99   103   106    37.50000  110.70000
   99   107   108    55.00000  108.50000
  103    99   100    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107    99   100    35.00000  109.50000
  107    99   103    50.00000  109.50000
   87    80    81    37.50000  110.70000
   87    80    84    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
   82    76    77    35.00000  109.50000
   82    76    80    50.00000  109.50000
   53    50    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    50    58.35000  112.70000
   39    46    47    55.00000  108.50000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
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   81    80    87    89   0.15000  1.0 3.0
   81    80    87    90   0.15000  1.0 3.0
   84    80    87    88   0.15000  1.0 3.0
   84    80    87    89   0.15000  1.0 3.0
   84    80    87    90   0.15000  1.0 3.0
   84    91    94    95   0.06250  1.0 1.0
   84    91    94    95  -0.01100 -1.0 2.0
   84    91    94    95   0.28050  1.0 3.0
   85    84    91    92   0.15000  1.0 3.0
   85    84    91    93   0.15000  1.0 3.0
   85    84    91    94   0.23400  1.0 3.0
   86    84    91    92   0.15000  1.0 3.0
   86    84    91    93   0.15000  1.0 3.0
   86    84    91    94   0.23400  1.0 3.0
   91    94    95    96   0.37050  1.0 3.0
   91    94    95    97  -0.77900  1.0 1.0
   91    94    95    97  -0.36900 -1.0 2.0
   91    94    95    97   0.40400  1.0 3.0
   91    94    95    99   0.06250  1.0 1.0
   91    94    95    99  -0.01100 -1.0 2.0
   91    94    95    99   0.28050  1.0 3.0
   92    91    94    95   0.37050  1.0 3.0
   93    91    94    95   0.37050  1.0 3.0
   94    95    97    98   0.00000  1.0 1.0
   94    95    97   101   0.39000  1.0 1.0
   94    95    97   101  -0.05800 -1.0 2.0
   94    95    97   101  -0.55150  1.0 3.0
   94    95    99   100   0.23400  1.0 3.0
   94    95    99   103   0.62750  1.0 1.0
   94    95    99   103  -0.30950 -1.0 2.0
   94    95    99   103   0.27300  1.0 3.0
   94    95    99   107   3.69350  1.0 1.0
   94    95    99   107  -1.82950 -1.0 2.0
   95    97   101   102   7.00000 -1.0 2.0
   95    97   101   109   7.00000 -1.0 2.0
   95    99   103   104   0.15000  1.0 3.0
   95    99   103   105   0.15000  1.0 3.0
   95    99   103   106   0.15000  1.0 3.0
   95    99   107   108  -0.11600  1.0 1.0
   95    99   107   108  -0.09450 -1.0 2.0
   95    99   107   108   0.21250  1.0 3.0
   96    95    97    98   0.33100  1.0 3.0
   96    95    97   101   0.00000  1.0 1.0
   96    95    99   100   0.15000  1.0 3.0
   96    95    99   103   0.15000  1.0 3.0
   96    95    99   107   0.23400  1.0 3.0
   97    95    99   100   0.15000  1.0 3.0
   97    95    99   103   0.34400  1.0 1.0
   97    95    99   103   0.09450 -1.0 2.0
   97    95    99   103   0.11100  1.0 3.0
   97    95    99   107   1.05650  1.0 1.0
   97    95    99   107   0.15600 -1.0 2.0
   97    95    99   107   0.53150  1.0 3.0
   97   101   109   110  -0.18600  1.0 3.0
   97   101   109   111   0.28850  1.0 1.0
   97   101   109   111   2.61350 -1.0 2.0
   97   101   109   111   0.78400  1.0 3.0
   98    97   101   102   7.00000 -1.0 2.0
   98    97   101   109   7.00000 -1.0 2.0
  101   109   111   112   7.00000 -1.0 2.0
  101   109   111   113   7.00000 -1.0 2.0
  102   101   109   110   0.00000  1.0 1.0
  102   101   109   111  -0.18600  1.0 3.0
  109   111   113   114   1.00000 -1.0 2.0
  109   111   113    51  -0.56150  1.0 1.0
  109   111   113    51   2.19150 -1.0 2.0
  110   109   111   112   7.00000 -1.0 2.0
  110   109   111   113   7.00000 -1.0 2.0
  111   113    51    48   2.00000 -1.0 2.0
  112   111   113   114   0.00000  1.0 1.0
  112   111   113    51   1.63100 -1.0 2.0
  114   113    51    48   3.00000 -1.0 2.0
   51    48    50    33   0.62750  1.0 1.0
   51    48    50    33  -0.30950 -1.0 2.0
   51    48    50    33   0.27300  1.0 3.0
   51    48    50    52   0.62750  1.0 1.0
   51    48    50    52  -0.30950 -1.0 2.0
   51    48    50    52   0.27300  1.0 3.0
   51    48    50    53   0.62750  1.0 1.0
   51    48    50    53  -0.30950 -1.0 2.0
   51    48    50    53   0.27300  1.0 3.0
   99    95    97    98   0.00000  1.0 1.0
   99    95    97   101   0.09850  1.0 1.0
   99    95    97   101   0.15250 -1.0 2.0
   99    95    97   101  -0.50650  1.0 3.0
  100    99   103   104   0.15000  1.0 3.0
  100    99   103   105   0.15000  1.0 3.0
  100    99   103   106   0.15000  1.0 3.0
  100    99   107   108   0.19450  1.0 3.0
  103    99   107   108  -0.11600  1.0 1.0
  103    99   107   108  -0.09450 -1.0 2.0
  103    99   107   108   0.21250  1.0 3.0
  107    99   103   104   0.23400  1.0 3.0
  107    99   103   105   0.23400  1.0 3.0
  107    99   103   106   0.23400  1.0 3.0
   87    80    84    85   0.15000  1.0 3.0
   87    80    84    86   0.15000  1.0 3.0
   87    80    84    91   0.56750  1.0 1.0
   87    80    84    91  -0.07550 -1.0 2.0
   87    80    84    91   0.20000  1.0 3.0
   82    76    80    81   0.23400  1.0 3.0
   82    76    80    84   0.86500  1.0 1.0
   82    76    80    84  -0.17500 -1.0 2.0
   82    76    80    84   0.20800  1.0 3.0
   82    76    80    87   0.86500  1.0 1.0
   82    76    80    87  -0.17500 -1.0 2.0
   82    76    80    87   0.20800  1.0 3.0
   53    50    52    57   0.56750  1.0 1.0
   53    50    52    57  -0.07550 -1.0 2.0
   53    50    52    57   0.20000  1.0 3.0
   53    50    52    78   0.56750  1.0 1.0
   53    50    52    78  -0.07550 -1.0 2.0
   53    50    52    78   0.20000  1.0 3.0
   53    50    52    60   0.56750  1.0 1.0
   53    50    52    60  -0.07550 -1.0 2.0
   53    50    52    60   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.62750  1.0 1.0
   39    33    37    45  -0.30950 -1.0 2.0
   39    33    37    45   0.27300  1.0 3.0
   39    33    50    48   0.56750  1.0 1.0
   39    33    50    48  -0.07550 -1.0 2.0
   39    33    50    48   0.20000  1.0 3.0
   39    33    50    52   0.56750  1.0 1.0
   39    33    50    52  -0.07550 -1.0 2.0
   39    33    50    52   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   41    39    46    47   0.19450  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
   63    72    67    70   1.10000 -1.0 2.0
   78    71    70    67   1.10000 -1.0 2.0
   66    76    68    69  10.50000 -1.0 2.0
   95    98    97   101   1.10000 -1.0 2.0
  109   102   101    97   1.10000 -1.0 2.0
  101   110   109   111   1.10000 -1.0 2.0
  113   112   111   109   1.10000 -1.0 2.0
  111    51   113   114  10.50000 -1.0 2.0
END
