* LIGAND DATABASE FILE (OPLS2005)
*
001     112   114    208    296     593
    1     0 S   NP   _N1_     1    28.66069    94.84201   -21.43803
    2     1 S   H    _HN1     2     1.02947    83.84755    28.86104
    3     1 S   H    _H1_     3     1.02831    33.72353   162.54779
    4     1 S   H    _H2_     4     1.02775    93.19998   -79.33543
    5     1 S   CT   _CA1     5     1.50125   143.47109   145.16291
    6     5 S   HC   _HA1     6     1.09582   105.13647    69.27822
    7     5 S   CO3  _C1_     7     1.53706   112.62799   -50.71821
    8     7 S   O2Z  _O11     8     1.26358   114.99905   -36.91680
    9     7 S   O2Z  _O12     9     1.26210   115.01887   142.29003
   10     5 S   CT   _CB1    10     1.53143   107.43679  -172.73469
   11    10 S   HC   HB11    11     1.09807   109.12886   -49.40599
   12    10 S   HC   HB12    12     1.09805   110.59717    67.24464
   13    10 S   CT   _CG1    13     1.52923   112.51708  -170.47736
   14    13 S   HC   HG11    14     1.09570   110.52248   -68.04851
   15    13 S   HC   HG12    15     1.09522   109.47194    51.03836
   16    13 S   C    _CD1    16     1.51795   112.76432   170.54942
   17    16 S   O    _OE1    17     1.22710   123.29578    -4.96538
   18    16 S   N    _N2_    18     1.38672   111.61601   175.85055
   19    18 S   H    _HN2    19     1.01532   118.96386    -2.42366
   20    18 S   CT1  _CA2    20     1.46233   123.53653   178.05731
   21    20 S   HC   _HA2    21     1.09683   109.29078   -10.57663
   22    20 S   C    _C2_    22     1.53518   108.44155  -126.81492
   23    22 S   O    _O2_    23     1.23046   121.96426  -151.25333
   24    20 S   CT   _CB2    32     1.53527   111.78507   111.69636
   25    24 S   HC   HB21    33     1.09337   109.18471    65.16516
   26    24 S   HC   HB22    34     1.09536   110.42927  -177.39541
   27    22 S   N    _N3_    24     1.38412   113.78713    35.37412
   28    27 S   H    _HN3    25     1.01528   118.90266     0.89526
   29    24 S   S    _SG2    35     1.82620   111.81226   -57.45750
   30    27 S   CT   _CA3    26     1.45419   123.51834   177.05510
   31    30 S   HC   HA31    27     1.09523   109.22336    23.78411
   32    30 S   HC   HA32    28     1.09499   107.07993   140.70952
   33    29 S   CT   _C22    36     1.83148   100.50710   145.69585
   34    33 S   HC   _H12    37     1.09571   104.24948    70.06846
   35    30 S   CO3  _C3_    29     1.52875   113.20587   -99.78684
   36    35 S   O2Z  _O31    30     1.26387   115.42810   -43.03430
   37    35 S   O2Z  _O32    31     1.26354   114.92853   137.92930
   38    33 S   CT   _C21    38     1.53732   114.60227  -172.07291
   39    38 S   HC   _H11    39     1.10281   105.36001  -168.65011
   40    33 S   OS   _O39    52     1.43127   114.97006   -44.37608
   41    38 S   CT   _C14    40     1.53823   113.86067    78.56897
   42    41 S   HC   _H10    41     1.10318   106.34027   158.06295
   43    38 S   CO4  _C23   106     1.52431   114.00122   -55.10892
   44    43 S   O    _O40   107     1.22321   125.20809   129.14290
   45    41 S   CT   _C15    42     1.53737   118.72542   -83.35730
   46    45 S   HC   _H18    43     1.09067   114.36174    34.27368
   47    45 S   HC   _H19    44     1.09447   111.02406   -89.10877
   48    43 S   OS   _O41   108     1.36662   109.70588   -53.13606
   49    45 S   CM   _C16    45     1.49262   102.34987   153.17602
   50    49 S   HC   _H20    46     1.08081   123.23943   166.05648
   51    48 S   CT   _C24   109     1.43066   115.34641  -179.39413
   52    51 S   HC   _H26   110     1.09326   108.09252  -178.89997
   53    51 S   HC   _H27   111     1.09415   110.25068    62.41987
   54    51 S   HC   _H28   112     1.09425   110.31836   -60.22293
   55    49 S   CM   _C17    47     1.33898   112.01214   -16.39092
   56    41 S   CT   _C13    48     1.54372   112.93666    40.66680
   57    56 S   HC   _H9_    49     1.09781   108.34076    87.21358
   58    55 S   CT   _C18    96     1.49268   126.17441  -176.83745
   59    58 S   HC   _H21    97     1.09537   109.35036   107.57739
   60    58 S   HC   _H22    98     1.09504   110.98201   -11.95131
   61    56 S   CO   _C12    50     1.53605   114.84682   -36.08975
   62    61 S   HC   _H8_    51     1.09559   110.91412   -79.43822
   63    58 S   OS   _O37    99     1.43683   108.75436  -130.06960
   64    61 S   OS   _O36    53     1.43391   106.28290   162.75145
   65    63 S   CO4  _C19   100     1.36217   116.82557  -144.70449
   66    65 S   O    _O38   101     1.22337   126.66627    -1.50011
   67    64 S   CO   _C11    54     1.43159   114.12907   166.79588
   68    67 S   HC   _H7_    55     1.09722   109.42783    42.60807
   69    65 S   CT   _C20   102     1.49866   109.42708   179.69999
   70    69 S   HC   _H23   103     1.09324   110.01395   -50.86137
   71    69 S   HC   _H24   104     1.09377   109.33775  -169.43525
   72    69 S   HC   _H25   105     1.09255   109.72107    70.90983
   73    67 S   CT   _C10    56     1.53455   106.48487   161.36930
   74    73 S   HC   _H6_    57     1.09799   110.49736    52.32938
   75    73 S   CT   _C9_    58     1.53073   111.30193   173.55850
   76    75 S   HC   _H5_    59     1.09787   111.15532    71.18518
   77    73 S   OS   _O42    89     1.44813   108.31370   -68.37674
   78    75 S   CT   _C8_    60     1.53136   110.48999   -50.81902
   79    78 S   HC   _H4_    61     1.09779   109.11617   -68.97906
   80    75 S   OS   _O44    82     1.44899   108.43567  -168.50284
   81    77 S   CO4  _C25    90     1.36156   118.13307   100.95914
   82    81 S   O    _O43    91     1.22279   126.70011     0.74991
   83    78 S   CT   _C7_    62     1.53441   110.12343    52.07648
   84    83 S   HC   _H3_    63     1.09814   110.28095    63.57726
   85    78 S   OS   _O46    75     1.44542   108.78168   170.13297
   86    80 S   CO4  _C27    83     1.36157   118.16835   -97.08084
   87    86 S   O    _O45    84     1.22293   126.59902    -0.02798
   88    81 S   CT   _C26    92     1.49831   109.33932  -179.31300
   89    88 S   HC   _H29    93     1.09295   109.82229   -60.78139
   90    88 S   HC   _H30    94     1.09377   109.36812  -179.82983
   91    88 S   HC   _H31    95     1.09294   109.80461    61.13189
   92    67 S   OS   _O35    64     1.42841   110.27010   -78.32128
   93    83 S   CT   _C6_    65     1.53382   111.97319  -176.94989
   94    93 S   HC   _H16    66     1.09528   110.83082   -62.36052
   95    93 S   HC   _H17    67     1.09309   109.56378   177.16959
   96    85 S   CO4  _C29    76     1.36215   117.96947    97.96374
   97    96 S   O    _O47    77     1.22285   126.64122     0.14265
   98    86 S   CT   _C28    85     1.49831   109.38075   179.92598
   99    98 S   HC   _H32    86     1.09290   109.80656   -61.49741
  100    98 S   HC   _H33    87     1.09377   109.36972   179.43145
  101    98 S   HC   _H34    88     1.09298   109.82166    60.40728
  102    93 S   OS   _O34    68     1.43844   109.46269    57.42244
  103    96 S   CT   _C30    78     1.49841   109.37136  -179.77445
  104   103 S   HC   _H35    79     1.09296   109.83005   -60.34525
  105   103 S   HC   _H36    80     1.09378   109.36823  -179.36388
  106   103 S   HC   _H37    81     1.09290   109.80718    61.56613
  107   102 S   CO4  _C5_    69     1.36176   116.10670   165.35751
  108   107 S   O    _O33    70     1.22358   126.28290     1.24819
  109   107 S   CT   _C4_    71     1.49844   109.58439   179.77971
  110   109 S   HC   _H13    72     1.09251   109.68235   -72.70887
  111   109 S   HC   _H14    73     1.09372   109.32402   167.52858
  112   109 S   HC   _H15    74     1.09331   110.07260    48.98727
  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   8   5   4   3
  14   6   2   1   1  16   8   9  16   9   8   2   9   5   4   4
   9   3   3   2   1   1  10   9   4   7   3   2   6   2   6   8
   5   4  13   6   3   2   1   1  14   7  15   7   9  14   7   8
   5   4   9   6   8   5   4   3   2   1   1   4   6   3   2   5
   4   3   2   1   1   6   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    56    61    62    40    64    43    44    48  
   38    39    41    61    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    55    56    57    61    40    43    44    48    51  
   41    42    45    56    40    43    44    48  
   64    67    43    41    55    56    57    61    62  
   42    45    46    47    49    50    55    56    57    61    62    64    58    43    44    48  
   45    46    47    49    55    56    57    61    43  
   44    48    51    52    53    54    45    56  
   48    51  
   46    47    49    50    55    56    57    61    58  
   47    49    50    55    56  
   49    50    55    56  
   51    52    53    54  
   50    55    56    57    61    58    59    60    63  
   55    56    58  
   52    53    54  
   53    54  
   54  
    0  
   56    57    61    62    64    58    59    60    63    65  
   57    61    62    64    67    58    59    60    63  
   61    62    64    58  
   59    60    63    65    66    69    61  
   60    63    65  
   63    65  
   62    64    67    68    73    92  
   64    67  
   65    66    69    70    71    72  
   67    68    73    74    75    83    92    77  
   66    69    70    71    72  
   69    70    71    72  
   68    73    74    75    76    78    83    84    92    93    80    77    81  
   73    74    75    83    92    77  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    78    79    83    92    85    80    86    77    81    82    88  
   75    76    78    92    80    77    81  
   76    78    79    83    84    92    93    85    96    80    86    87    98    77    81  
   78    79    83    85    80    86    77  
   81    82    88    89    90    91    78    80    92  
   79    83    84    92    93    94    95   102    85    96    97   103    80    86  
   83    84    92    93    85    96    80  
   86    87    98    99   100   101    83    85  
   82    88    89    90    91  
   88    89    90    91  
   84    92    93    94    95   102   107    85    96  
   92    93    94    95   102    85  
   96    97   103   104   105   106    92    93  
   87    98    99   100   101  
   98    99   100   101  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95   102  
   94    95   102   107   108   109  
   95   102   107  
  102   107  
   97   103   104   105   106  
  103   104   105   106  
   99   100   101  
  100   101  
  101  
    0  
  107   108   109   110   111   112  
  104   105   106  
  105   106  
  106  
    0  
  108   109   110   111   112  
  109   110   111   112  
  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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    56   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   317.000  1.510
   49    50   340.000  1.080
   49    55   549.000  1.340
   55    56   317.000  1.510
   55    58   317.000  1.510
   56    57   340.000  1.090
   56    61   250.000  1.527
   61    62   340.000  1.090
   61    40   320.000  1.380
   61    64   320.000  1.380
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    73   250.000  1.527
   67    92   320.000  1.380
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    77   320.000  1.410
   75    76   340.000  1.090
   75    78   268.000  1.529
   75    80   320.000  1.410
   78    79   340.000  1.090
   78    83   268.000  1.529
   78    85   320.000  1.410
   83    84   340.000  1.090
   83    92   320.000  1.410
   83    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   102   320.000  1.410
  102   107   214.000  1.327
  107   108   570.000  1.229
  107   109   317.000  1.522
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   85    96   214.000  1.327
   96    97   570.000  1.229
   96   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   80    86   214.000  1.327
   86    87   570.000  1.229
   86    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   77    81   214.000  1.327
   81    82   570.000  1.229
   81    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   320.000  1.410
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    61    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    56    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    70.00000  112.02700
   41    56    55    70.00000  112.02700
   41    56    57    37.50000  110.70000
   41    56    61    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    35.00000  117.00000
   45    49    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    55    56    70.00000  124.00000
   49    55    58    70.00000  124.00000
   55    49    50    35.00000  120.00000
   55    56    57    35.00000  109.50000
   55    56    61    70.00000  112.02700
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    85.00000  110.90400
   56    41    42    37.50000  110.70000
   56    41    45    58.35000  112.70000
   56    61    62    45.00000  112.01100
   56    61    40    90.00000  108.56700
   56    61    64    90.00000  108.56700
   61    56    57    45.00000  108.72000
   61    64    67   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    61    62    35.00000  109.50000
   64    61    62    35.00000  109.50000
   64    61    40    92.60000  111.55000
   64    67    68    35.00000  109.50000
   64    67    73    90.00000  108.56700
   64    67    92    92.60000  111.55000
   67    73    74    45.00000  108.72000
   67    73    75    75.00000  109.43000
   67    73    77    90.00000  109.38000
   67    92    83    60.00000  109.50000
   73    67    68    45.00000  112.01100
   73    75    76    37.50000  110.70000
   73    75    78    58.35000  112.70000
   73    75    80    50.00000  109.50000
   73    77    81    83.00000  116.90000
   75    73    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    83    58.35000  112.70000
   75    78    85    50.00000  109.50000
   75    80    86    83.00000  116.90000
   78    75    76    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    92    50.00000  109.50000
   78    83    93    58.35000  112.70000
   78    85    96    83.00000  116.90000
   83    78    79    37.50000  110.70000
   83    93    94    37.50000  110.70000
   83    93    95    37.50000  110.70000
   83    93   102    50.00000  109.50000
   92    67    68    35.00000  109.50000
   92    67    73    90.00000  108.56700
   92    83    84    35.00000  109.50000
   93    83    84    37.50000  110.70000
   93    83    92    50.00000  109.50000
   93   102   107    83.00000  116.90000
   95    93    94    33.00000  107.80000
  102    93    94    35.00000  109.50000
  102    93    95    35.00000  109.50000
  102   107   108    83.00000  123.40000
  102   107   109    81.00000  111.40000
  107   109   110    35.00000  109.50000
  107   109   111    35.00000  109.50000
  107   109   112    35.00000  109.50000
  109   107   108    80.00000  120.40000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   85    78    79    35.00000  109.50000
   85    78    83    50.00000  109.50000
   85    96    97    83.00000  123.40000
   85    96   103    81.00000  111.40000
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   106    35.00000  109.50000
  103    96    97    80.00000  120.40000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    78    50.00000  109.50000
   80    86    87    83.00000  123.40000
   80    86    98    81.00000  111.40000
   86    98    99    35.00000  109.50000
   86    98   100    35.00000  109.50000
   86    98   101    35.00000  109.50000
   98    86    87    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    50.00000  109.50000
   77    81    82    83.00000  123.40000
   77    81    88    81.00000  111.40000
   81    88    89    35.00000  109.50000
   81    88    90    35.00000  109.50000
   81    88    91    35.00000  109.50000
   88    81    82    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   58    55    56    65.00000  117.92700
   58    63    65    83.00000  116.90000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    69    81.00000  111.40000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    51    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
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   63    65    69    71   0.00000  1.0 1.0
   63    65    69    72   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    56  -0.95700  1.0 1.0
   43    38    41    56  -0.18200 -1.0 2.0
   43    38    41    56   0.29450  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54   0.08050  1.0 3.0
   44    43    48    51   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   45    50    49    55   1.10000 -1.0 2.0
   56    58    55    49   1.10000 -1.0 2.0
  102   109   107   108  10.50000 -1.0 2.0
   85   103    96    97  10.50000 -1.0 2.0
   80    98    86    87  10.50000 -1.0 2.0
   77    88    81    82  10.50000 -1.0 2.0
   63    69    65    66  10.50000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
