* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    211    341     637
    1     0 S   NP   _N1_     1    29.12293    97.83720   -18.40448
    2     1 S   H    _HN1     2     1.02784    81.07660   -79.90561
    3     1 S   H    _H1_     3     1.02939    73.48686    32.42964
    4     1 S   H    _H2_     4     1.02832    53.06323   159.62605
    5     1 S   CT   _CA1     5     1.50235   162.73865   138.19843
    6     5 S   HC   _HA1     6     1.09590   104.96081    77.47362
    7     5 S   CO3  _C1_     7     1.53743   112.53158   -42.09756
    8     7 S   O2Z  _O11     8     1.26430   115.12915   -36.42265
    9     7 S   O2Z  _O12     9     1.26230   114.93799   142.41390
   10     5 S   CT   _CB1    10     1.53155   107.32455  -164.90462
   11    10 S   HC   HB11    11     1.09825   108.86416   -49.12401
   12    10 S   HC   HB12    12     1.09807   110.50148    67.27800
   13    10 S   CT   _CG1    13     1.53128   113.04128  -170.28198
   14    13 S   HC   HG11    14     1.09552   110.44891   -72.82705
   15    13 S   HC   HG12    15     1.09688   109.83231    46.27162
   16    13 S   C    _CD1    16     1.52092   112.34439   166.14970
   17    16 S   O    _OE1    17     1.22745   123.22736     5.24568
   18    16 S   N    _N2_    18     1.38671   111.82727  -174.06812
   19    18 S   H    _HN2    19     1.01599   118.80865    -1.76070
   20    18 S   CT1  _CA2    20     1.46481   123.53913   173.80729
   21    20 S   HC   _HA2    21     1.09758   109.29747    -9.64518
   22    20 S   C    _C2_    22     1.53478   107.77440  -124.57358
   23    22 S   O    _O2_    23     1.23010   122.55357  -145.54864
   24    20 S   CT   _CB2    32     1.53360   111.91864   112.94610
   25    24 S   HC   HB21    33     1.09561   109.75517    50.75616
   26    24 S   HC   HB22    34     1.09453   110.82020   170.15350
   27    22 S   N    _N3_    24     1.38426   113.32170    41.91464
   28    27 S   H    _HN3    25     1.01639   119.50928    -3.62499
   29    24 S   S    _SG2    35     1.82529   111.03742   -70.33826
   30    27 S   CT   _CA3    26     1.45284   123.14806   176.95670
   31    30 S   HC   HA31    27     1.09552   107.59002   -62.37369
   32    30 S   HC   HA32    28     1.09558   107.87692    54.03111
   33    29 S   CT   _C28    36     1.86146    99.94589   167.41068
   34    33 S   HC   _H7_    37     1.09584   106.46326   -26.96518
   35    30 S   CO3  _C3_    29     1.52943   114.11860   175.98424
   36    35 S   O2Z  _O31    30     1.26370   116.05752     0.03956
   37    35 S   O2Z  _O32    31     1.26427   114.41497  -179.93147
   38    33 S   CT   _C27    38     1.53031   107.49127    88.72440
   39    38 S   HC   _H36    39     1.09638   111.16437   -49.67430
   40    38 S   HC   _H37    40     1.09566   110.98640  -168.31860
   41    38 S   CO4  _C26    41     1.50996   111.27009    71.77135
   42    41 S   O    _O37    42     1.22944   121.83442  -149.88113
   43    41 S   CM   _C25    43     1.48208   118.30629    34.02154
   44    43 S   HC   _H35    44     1.08492   116.21072   171.06009
   45    43 S   CM   _C24    45     1.34436   121.63043    -4.31175
   46    45 S   CT   _C23    46     1.50983   119.23767   171.39721
   47    46 S   HC   _H33    47     1.09715   108.84257  -105.36990
   48    46 S   HC   _H34    48     1.09708   111.16209    11.26390
   49    46 S   CT   _C22    49     1.51991   112.47517   133.26796
   50    49 S   HC   _H31    50     1.09638   108.61559   177.20222
   51    49 S   HC   _H32    51     1.09802   109.37471   -66.66159
   52    49 S   CT   _C9_    52     1.53602   111.87079    55.66863
   53    52 S   HC   _H5_    53     1.09470   108.21951    63.91197
   54    52 S   CT   _C10    54     1.53905   110.15828  -175.42461
   55    54 S   HC   _H6_    55     1.10309   105.61606    62.06059
   56    52 S   CT   _C8_    69     1.56057   110.12812   -56.64811
   57    56 S   HC   _H4_    70     1.09808   102.98251   -62.28744
   58    54 S   CT   _C11    56     1.52275   119.16491   -56.06814
   59    58 S   HC   _H13    57     1.09478   112.18609    75.28158
   60    58 S   HC   _H14    58     1.09572   111.49648   -45.50828
   61    33 S   CT   _C29    71     1.58326   114.31094  -146.26462
   62    58 S   CT   _C12    59     1.54210   103.97269  -164.68341
   63    62 S   HC   _H15    60     1.09525   108.59890   132.40523
   64    62 S   HC   _H16    61     1.09622   109.85225  -110.34491
   65    61 S   CT   _C30    72     1.55282   108.05634   168.24009
   66    65 S   HC   _H38    73     1.09460   111.80687   -45.17632
   67    65 S   HC   _H39    74     1.09478   112.15227  -166.50988
   68    65 S   HC   _H40    75     1.09691   111.90370    73.79137
   69    62 S   CT   _C13    62     1.55534   106.68165    10.35604
   70    54 S   CT   _C5_    63     1.54897   114.26004  -179.20058
   71    69 S   CO4  _C14    82     1.53677   113.26869   145.53371
   72    71 S   O    _O33    83     1.23288   121.56898    -0.96793
   73    69 S   OH   _O36   106     1.42738   107.88073   -97.00811
   74    73 S   HO   _H30   107     0.97457   109.02233   -63.95103
   75    70 S   CT   _C6_    64     1.54602   107.21707   -59.74697
   76    75 S   HC   _H11    65     1.09649   110.07509   -66.70753
   77    75 S   HC   _H12    66     1.09501   109.89392   176.06916
   78    70 S   CT   _C4_    78     1.55146   112.99545    62.81746
   79    78 S   HC   _H8_    79     1.09498   112.52063    69.97321
   80    78 S   HC   _H9_    80     1.09168   113.07058   -50.30630
   81    78 S   HC   _H10    81     1.09522   110.83562  -170.59473
   82    71 S   CT   _C15    84     1.51881   117.57174   178.86927
   83    82 S   HC   _H17    85     1.09357   108.51166    83.32527
   84    82 S   HC   _H18    86     1.09226   109.93418   -38.28465
   85    75 S   CT   _C7_    67     1.54207   113.50285    53.67546
   86    85 S   HC   _H3_    68     1.09459   107.38705  -172.70604
   87    82 S   OS   _O34    87     1.42854   108.48836  -157.45948
   88    85 S   OH   _O38    76     1.42102   109.30401    72.26391
   89    88 S   HO   _H41    77     0.97241   107.79572    57.52656
   90    87 S   CO4  _C16    88     1.36266   115.23902  -174.53105
   91    90 S   O    _O35    89     1.22421   125.99898     0.91536
   92    90 S   CT   _C17    90     1.51155   110.05281  -179.88809
   93    92 S   HC   _H19    91     1.09815   108.32607    31.42130
   94    92 S   HC   _H20    92     1.09801   106.91797   144.41607
   95    92 S   CT   _C18    93     1.54430   114.51764   -92.68127
   96    95 S   CT   _C19    94     1.54080   108.12596  -179.87333
   97    96 S   HC   _H21    95     1.09591   111.16953    59.89374
   98    96 S   HC   _H22    96     1.09591   111.16768   -60.15236
   99    96 S   HC   _H23    97     1.09594   111.29175   179.87489
  100    95 S   CT   _C20    98     1.53778   111.22825    61.08835
  101   100 S   HC   _H24    99     1.09521   111.68967   -65.79960
  102   100 S   HC   _H25   100     1.09572   111.14547    54.80923
  103   100 S   HC   _H26   101     1.09610   111.06277   174.62367
  104    95 S   CT   _C21   102     1.53780   111.08665   -60.93048
  105   104 S   HC   _H27   103     1.09508   111.69617    65.61152
  106   104 S   HC   _H28   104     1.09571   111.14604   -54.97244
  107   104 S   HC   _H29   105     1.09612   111.06003  -174.78316
  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  10   5   4   3
  18   8   2   1   1  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  18   8  22   9  15   6  11   6   5   8  11   5   4
   4   2   1   1  17  15  10   5   4   1  10   5   4   4   2   1
   1   6   3   2   3   2   6   1   1   8   4  15   5   4  12  11
   4   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    85    56    57    61    65    66    67    68  
   38    39    40    41    45    56    61    65  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    65  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    65  
   45    46    61  
   46    47    48    49    50    51    52    85    56    57    61    65    66    67    68  
   47    48    49    50    51    52    53    54    56    61    65  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    70    85    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    69    70    75    85    86    56    57    61    65    88    78  
   54    55    58    70    85    56    57    61  
   55    58    59    60    62    63    64    69    70    75    76    77    85    56    57    61    78    79    80    81    71    73  
   58    59    60    62    69    70    75    56    78  
   57    61    65    66    67    68    88    89    58    70    75    76    77    85    86  
   61    65    88    75    85    86  
   59    60    62    63    64    69    70    75    78    71    73  
   60    62    63    64    69    70  
   62    63    64    69    70  
   65    66    67    68    88    75    85    86  
   63    64    69    70    75    78    71    72    82    73    74  
   64    69    70    71    73  
   69    70    71    73  
   66    67    68    85  
   67    68  
   68  
    0  
   70    75    76    77    85    78    79    80    81    71    72    82    83    84    87    73    74  
   75    76    77    85    86    88    78    79    80    81    71    72    82    73    74  
   72    82    83    84    87    90    73    74    75    78  
   82    83    84    87    73  
   74    75    78    82  
    0  
   76    77    85    86    88    89    78    79    80    81  
   77    85    86    88    78  
   85    86    88    78  
   79    80    81    85  
   80    81  
   81  
    0  
   83    84    87    90    91    92  
   84    87    90  
   87    90  
   86    88    89  
   88    89  
   90    91    92    93    94    95  
   89  
    0  
   91    92    93    94    95    96   100   104  
   92    93    94    95  
   93    94    95    96    97    98    99   100   101   102   103   104   105   106   107  
   94    95    96   100   104  
   95    96   100   104  
   96    97    98    99   100   101   102   103   104   105   106   107  
   97    98    99   100   101   102   103   104   105   106   107  
   98    99   100   104  
   99   100   104  
  100   104  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   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    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   268.000  1.529
   33    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    70   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   268.000  1.529
   69    71   317.000  1.522
   69    73   320.000  1.410
   70    75   268.000  1.529
   70    78   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    85   268.000  1.529
   85    86   340.000  1.090
   85    56   268.000  1.529
   85    88   320.000  1.410
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   88    89   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   71    72   570.000  1.229
   71    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   320.000  1.410
   87    90   214.000  1.327
   90    91   570.000  1.229
   90    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   268.000  1.529
   95   100   268.000  1.529
   95   104   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   73    74   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    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  111.63000
   29    33    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    65    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    65    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    70    58.35000  112.70000
   52    56    85    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    70    69    58.35000  112.70000
   54    70    75    58.35000  112.70000
   54    70    78    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    69    70    58.35000  112.70000
   62    69    71    63.00000  111.10000
   62    69    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    70    75    58.35000  112.70000
   69    70    78    58.35000  112.70000
   69    71    72    80.00000  120.40000
   69    71    82    70.00000  116.00000
   69    73    74    55.00000  108.50000
   70    54    55    37.50000  110.70000
   70    54    58    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    85    58.35000  112.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   75    85    86    37.50000  110.70000
   75    85    56    58.35000  112.70000
   75    85    88    50.00000  109.50000
   77    75    76    33.00000  107.80000
   85    75    76    37.50000  110.70000
   85    75    77    37.50000  110.70000
   85    56    57    37.50000  110.70000
   85    56    61    58.35000  112.70000
   85    88    89    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    85    86    37.50000  110.70000
   56    61    65    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    56    50.00000  109.50000
   78    70    75    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   71    69    70    63.00000  111.10000
   71    82    83    35.00000  109.50000
   71    82    84    35.00000  109.50000
   71    82    87    90.00000  108.74100
   82    71    72    80.00000  120.40000
   82    87    90    83.00000  116.90000
   84    82    83    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    35.00000  109.50000
   87    90    91    83.00000  123.40000
   87    90    92    81.00000  111.40000
   90    92    93    35.00000  109.50000
   90    92    94    35.00000  109.50000
   90    92    95    63.00000  111.10000
   92    90    91    80.00000  120.40000
   92    95    96    58.35000  112.70000
   92    95   100    58.35000  112.70000
   92    95   104    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    96    97    37.50000  110.70000
   95    96    98    37.50000  110.70000
   95    96    99    37.50000  110.70000
   95   100   101    37.50000  110.70000
   95   100   102    37.50000  110.70000
   95   100   103    37.50000  110.70000
   95   104   105    37.50000  110.70000
   95   104   106    37.50000  110.70000
   95   104   107    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
  100    95    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    95    96    58.35000  112.70000
  104    95   100    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   73    69    70    50.00000  109.50000
   73    69    71    90.00000  109.61100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
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   78    70    75    76   0.15000  1.0 3.0
   78    70    75    77   0.15000  1.0 3.0
   78    70    75    85   0.56750  1.0 1.0
   78    70    75    85  -0.07550 -1.0 2.0
   78    70    75    85   0.20000  1.0 3.0
   71    69    70    54  -0.95700  1.0 1.0
   71    69    70    54  -0.18200 -1.0 2.0
   71    69    70    54   0.29450  1.0 3.0
   71    69    70    75  -0.95700  1.0 1.0
   71    69    70    75  -0.18200 -1.0 2.0
   71    69    70    75   0.29450  1.0 3.0
   71    69    70    78  -0.95700  1.0 1.0
   71    69    70    78  -0.18200 -1.0 2.0
   71    69    70    78   0.29450  1.0 3.0
   71    69    73    74   0.91850  1.0 1.0
   71    69    73    74   0.57950  1.0 3.0
   71    82    87    90  -1.80650  1.0 1.0
   71    82    87    90   0.63900 -1.0 2.0
   71    82    87    90   0.03650  1.0 3.0
   72    71    82    83   0.00000  1.0 1.0
   72    71    82    84   0.00000  1.0 1.0
   72    71    82    87   0.30150 -1.0 2.0
   82    87    90    91   3.00000 -1.0 2.0
   82    87    90    92   1.63150  1.0 1.0
   82    87    90    92   2.92000 -1.0 2.0
   83    82    87    90   0.08050  1.0 3.0
   84    82    87    90   0.08050  1.0 3.0
   87    90    92    93   0.00000  1.0 1.0
   87    90    92    94   0.00000  1.0 1.0
   87    90    92    95   0.36750  1.0 3.0
   90    92    95    96  -0.95700  1.0 1.0
   90    92    95    96  -0.18200 -1.0 2.0
   90    92    95    96   0.29450  1.0 3.0
   90    92    95   100  -0.95700  1.0 1.0
   90    92    95   100  -0.18200 -1.0 2.0
   90    92    95   100   0.29450  1.0 3.0
   90    92    95   104  -0.95700  1.0 1.0
   90    92    95   104  -0.18200 -1.0 2.0
   90    92    95   104   0.29450  1.0 3.0
   91    90    92    93   0.00000  1.0 1.0
   91    90    92    94   0.00000  1.0 1.0
   91    90    92    95   0.30150 -1.0 2.0
   92    95    96    97   0.15000  1.0 3.0
   92    95    96    98   0.15000  1.0 3.0
   92    95    96    99   0.15000  1.0 3.0
   92    95   100   101   0.15000  1.0 3.0
   92    95   100   102   0.15000  1.0 3.0
   92    95   100   103   0.15000  1.0 3.0
   92    95   104   105   0.15000  1.0 3.0
   92    95   104   106   0.15000  1.0 3.0
   92    95   104   107   0.15000  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95   100   0.15000  1.0 3.0
   93    92    95   104   0.15000  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95   100   0.15000  1.0 3.0
   94    92    95   104   0.15000  1.0 3.0
   96    95   100   101   0.15000  1.0 3.0
   96    95   100   102   0.15000  1.0 3.0
   96    95   100   103   0.15000  1.0 3.0
   96    95   104   105   0.15000  1.0 3.0
   96    95   104   106   0.15000  1.0 3.0
   96    95   104   107   0.15000  1.0 3.0
  100    95    96    97   0.15000  1.0 3.0
  100    95    96    98   0.15000  1.0 3.0
  100    95    96    99   0.15000  1.0 3.0
  100    95   104   105   0.15000  1.0 3.0
  100    95   104   106   0.15000  1.0 3.0
  100    95   104   107   0.15000  1.0 3.0
  104    95    96    97   0.15000  1.0 3.0
  104    95    96    98   0.15000  1.0 3.0
  104    95    96    99   0.15000  1.0 3.0
  104    95   100   101   0.15000  1.0 3.0
  104    95   100   102   0.15000  1.0 3.0
  104    95   100   103   0.15000  1.0 3.0
   73    69    70    54   0.86500  1.0 1.0
   73    69    70    54  -0.17500 -1.0 2.0
   73    69    70    54   0.20800  1.0 3.0
   73    69    70    75   0.86500  1.0 1.0
   73    69    70    75  -0.17500 -1.0 2.0
   73    69    70    75   0.20800  1.0 3.0
   73    69    70    78   0.86500  1.0 1.0
   73    69    70    78  -0.17500 -1.0 2.0
   73    69    70    78   0.20800  1.0 3.0
   73    69    71    72   0.30150 -1.0 2.0
   73    69    71    82   0.55300  1.0 1.0
   73    69    71    82   1.25850 -1.0 2.0
   73    69    71    82  -0.23600  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   69    82    71    72  10.50000 -1.0 2.0
   87    92    90    91  10.50000 -1.0 2.0
END
