* LIGAND DATABASE FILE (OPLS2005)
*
001     111   115    218    354     658
    1     0 S   NP   _N1_     1    28.89064    92.22034   -19.95661
    2     1 S   H    _HN1     2     1.02963   108.47104    26.22351
    3     1 S   H    _H1_     3     1.02841    24.60642   117.11313
    4     1 S   H    _H2_     4     1.02775    84.56824   -81.28418
    5     1 S   CT   _CA1     5     1.50161   129.10847   164.38406
    6     5 S   HC   _HA1     6     1.09572   105.23711    40.36048
    7     5 S   CO3  _C1_     7     1.53838   112.01064   -79.80065
    8     7 S   O2Z  _O11     8     1.26392   115.03738   -47.86374
    9     7 S   O2Z  _O12     9     1.26240   114.88199   130.81857
   10     5 S   CT   _CB1    10     1.53074   107.38283   158.22574
   11    10 S   HC   HB11    11     1.09823   109.49153   -49.13018
   12    10 S   HC   HB12    12     1.09833   110.33995    67.41535
   13    10 S   CT   _CG1    13     1.53073   112.73602  -170.23866
   14    13 S   HC   HG11    14     1.09492   110.28422   -57.99644
   15    13 S   HC   HG12    15     1.09609   110.26081    61.06172
   16    13 S   C    _CD1    16     1.51878   111.76107  -178.98529
   17    16 S   O    _OE1    17     1.22791   122.93939   -18.47516
   18    16 S   N    _N2_    18     1.38610   112.08713   162.34469
   19    18 S   H    _HN2    19     1.01585   119.08599     1.40528
   20    18 S   CT1  _CA2    20     1.46400   123.27015  -175.83590
   21    20 S   HC   _HA2    21     1.09732   109.33524   -13.24517
   22    20 S   C    _C2_    22     1.53344   108.58331  -129.16657
   23    22 S   O    _O2_    23     1.23023   122.21159  -146.55884
   24    20 S   CT   _CB2    32     1.53811   111.29456   108.58254
   25    24 S   HC   HB21    33     1.09379   108.61481    57.79100
   26    24 S   HC   HB22    34     1.09416   110.37056   176.65087
   27    22 S   N    _N3_    24     1.38501   113.38956    40.86648
   28    27 S   H    _HN3    25     1.01533   118.88237    -0.69605
   29    24 S   S    _SG2    35     1.82772   110.88566   -63.05989
   30    27 S   CT   _CA3    26     1.45434   123.39521   175.19719
   31    30 S   HC   HA31    27     1.09530   109.16693    25.83652
   32    30 S   HC   HA32    28     1.09496   107.14456   142.80906
   33    29 S   CT   _C17    36     1.86931   103.10812   173.24762
   34    30 S   CO3  _C3_    29     1.52919   113.14253   -97.59948
   35    34 S   O2Z  _O31    30     1.26404   115.40860   -45.17953
   36    34 S   O2Z  _O32    31     1.26361   114.98767   135.77592
   37    33 S   CT   _C18    37     1.54344   109.88203   -46.48349
   38    37 S   HC   _H20    38     1.09570   111.74341    78.00949
   39    37 S   HC   _H21    39     1.09351   112.65804   -43.20454
   40    37 S   HC   _H22    40     1.09616   111.17770  -162.96817
   41    33 S   CT   _C16    41     1.55556   106.73017  -164.97875
   42    41 S   HC   _H18    42     1.09578   110.74406   176.49078
   43    41 S   HC   _H19    43     1.09688   111.03622   -67.15469
   44    33 S   CT   _C19   102     1.57693   109.68859    74.10061
   45    44 S   HC   _H23   103     1.09871   107.74752   -61.11080
   46    41 S   CO4  _C15    44     1.51912   116.12503    53.89457
   47    46 S   O    _O37    45     1.22473   123.41424  -100.84804
   48    44 S   CT   _C20   104     1.53902   113.22558  -177.83553
   49    48 S   HC   _H24   105     1.09424   111.82007   -63.65023
   50    48 S   HC   _H25   106     1.09352   111.82143    58.20524
   51    48 S   HC   _H26   107     1.09609   110.41161   176.85154
   52    44 S   CT   _C21   108     1.53861   115.10406    57.52725
   53    52 S   HC   _H27   109     1.09411   111.91039    65.36983
   54    52 S   HC   _H28   110     1.09296   112.41556   -56.95440
   55    52 S   HC   _H29   111     1.09635   110.14340  -175.63641
   56    46 S   OS   _O36    46     1.36293   110.63420    79.05629
   57    56 S   CT   _C13    47     1.43954   117.53815  -176.18772
   58    57 S   HC   _H7_    48     1.09133   110.52904   -24.31664
   59    57 S   CO4  _C14    49     1.52089   107.87184    91.80111
   60    59 S   O    _O34    50     1.22836   122.55643   -31.21179
   61    57 S   CT   _C12    74     1.51691   108.55232  -148.43457
   62    61 S   HC   _H6_    75     1.10465   105.94759   -52.95243
   63    59 S   OS   _O35    51     1.35498   116.66099   153.64672
   64    65 S   CT   _C9_    76     1.52874   112.53063    35.40152
   65    63 S   CT   _C8_    52     1.45972   124.86893   -27.89374
   66    65 S   HC   _H5_    53     1.09721   105.26814   -85.25812
   67    64 S   CT   _C10    77     1.53291   114.71936  -155.01183
   68    67 S   HC   _H16    78     1.08810   115.69204   -89.82977
   69    67 S   HC   _H17    79     1.09627   112.14648    33.87083
   70    65 S   CT   _C7_    54     1.52913   106.03081   160.41302
   71    70 S   HC   _H14    55     1.09370   110.01041   165.70091
   72    70 S   HC   _H15    56     1.09770   108.76210    48.95578
   73   102 S   OS   _O33    80     1.46266   106.52454   -53.50841
   74    70 S   CT   _C6_    57     1.53613   110.51070   -70.45909
   75    74 S   HC   _H4_    58     1.10127   105.56225    50.69050
   76    74 S   CT   _C5_    59     1.54257   113.68652   162.40492
   77    76 S   HC   _H3_    60     1.10019   105.66737   -65.34952
   78    76 S   CO4  _C28    61     1.52085   110.38607  -178.85517
   79    78 S   O    _O38    62     1.23203   121.46419   158.99355
   80    76 S   CT   _C4_    98     1.52455   117.82281    53.49777
   81    80 S   HC   _H11    99     1.09202   112.82025    81.32108
   82    80 S   HC   _H12   100     1.09286   112.32700   -42.45707
   83    80 S   HC   _H13   101     1.09693   109.55109  -161.30626
   84    78 S   CM   _C27    63     1.49011   119.40774   -23.04459
   85    84 S   CM   _C26    64     1.33979   121.36472    -1.32515
   86    85 S   HC   _H30    65     1.08719   117.08340  -175.86739
   87    84 S   OH   _O39    96     1.38037   117.88084  -178.97473
   88    87 S   HO   _H31    97     0.97446   106.66905    -0.42887
   89    74 S   CT   _C25    66     1.56268   111.94618   -63.23085
   90    89 S   CT   _C24    67     1.59827   106.17191    60.99122
   91    90 S   HC   _H10    68     1.09954   103.20868    61.63993
   92    89 S   CT   _C29    92     1.54203   112.04693   -64.99956
   93    92 S   HC   _H32    93     1.09022   113.26661    54.54140
   94    92 S   HC   _H33    94     1.09271   111.76962   -65.65671
   95    92 S   HC   _H34    95     1.09109   112.96514   177.75694
   96    90 S   CT   _C23    69     1.56828   117.00457   174.19539
   97    96 S   HC   _H9_    70     1.09568   108.46191   -64.85920
   98    96 S   CT   _C22    71     1.54751   112.71034   174.62571
   99    98 S   HC   _H8_    72     1.09762   109.37582  -160.08678
  100    96 S   OH   _O40    90     1.42183   111.80763    52.43964
  101   100 S   HO   _H35    91     0.97231   108.06362  -174.50182
  102    98 S   CT   _C11    73     1.54223   111.67494   -39.81040
  103    98 S   OH   _O41    88     1.42395   109.02507    83.15845
  104   103 S   HO   _H36    89     0.97252   107.98076    61.70820
  105   102 S   CO4  _C30    81     1.52660   114.47619  -167.96320
  106   105 S   O    _O42    82     1.22616   124.14505   133.22756
  107   105 S   OS   _O43    83     1.36254   111.21674   -47.69920
  108   107 S   CT   _C31    84     1.43071   115.44063   178.98586
  109   108 S   HC   _H37    85     1.09328   108.07628  -179.32103
  110   108 S   HC   _H38    86     1.09425   110.28663    61.99787
  111   108 S   HC   _H39    87     1.09418   110.31424   -60.66246
  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
  20   2   1   1  11   4   3   2  10   5   4  10   8   6   2   7
   3   2   1   3   2   1   1   9  14   7   9   3  21   8   9  21
  16   6  11   4   3  12   5   4   9  20   8  13   8  11   4   5
   2   1   1   7  11   4   2   1  10  13   5   4   2   1   1   9
   6   9   5   3   1   6   2   1   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    46    44    45    48    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    56    44    45    48    49    50    51    52    53    54    55  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48    52  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    46    47    56    57    44    45    48    52  
   43    46    47    56    44  
   46    47    56    44  
   45    48    49    50    51    52    53    54    55    46  
   48    49    50    51    52    53    54    55  
   47    56    57    58    59    61  
   56    57  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    63   102    61    62    64  
   58    59    60    63    65    90    98   102    61    62    64    67    73   105  
   59    60    63   102    61    62    64  
   60    63    65    66    70   102    61    62    64  
   63    65    61  
   62    64    67    68    69    73   105   106   107   103    63    65    66    70    89    90    91    96    98    99   102  
   64    67    73   105    65    90    98   102  
   65    66    70    71    72    74    90    64    67  
   67    68    69    73   105   100    92    65    66    70    71    72    74    85    89    90    91    96    97    98   102  
   66    70    71    72    74    75    76    89    90    91    96   102    67    68    69    73  
   70    71    72    74    90    67  
   68    69    73   105    70    89    90    91    96    98   102  
   69    73    90   102  
   73    90   102  
   71    72    74    75    76    77    78    85    89    90    92    80  
   72    74    75    76    89  
   74    75    76    89  
  105   106   107   103    90    96    98    99   102  
   75    76    77    78    79    84    85    86    89    90    91    96    92    93    94    95    80    81    82    83  
   76    77    78    85    89    90    92    80  
   77    78    79    84    85    89    90    92    87    80    81    82    83  
   78    79    84    89    80    81    82    83  
   79    84    85    86    89    87    88    80    81    82    83  
   84    85    87    80  
   81    82    83    84    89  
   82    83  
   83  
    0  
   85    86    89    90    92    87    88  
   86    89    90    91    96    92    93    94    95    87    88  
   89    90    92    87  
   88    89  
    0  
   90    91    96    97    98   100    92    93    94    95  
   91    96    97    98    99   102   103   100   101    92    93    94    95  
   96    97    98   100    92  
   93    94    95    96  
   94    95  
   95  
    0  
   97    98    99   102   105   103   104   100   101  
   98    99   102   103   100   101  
   99   102   105   106   107   103   104   100   101  
  102   105   103   104   100  
  101   102   103  
    0  
  105   106   107   108   103   104  
  104   105  
    0  
  106   107   108   109   110   111  
  107   108  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
  103   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  108   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  110   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.030000   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    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    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   317.000  1.522
   57    61   268.000  1.529
   59    60   570.000  1.229
   59    63   214.000  1.327
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    64   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    89   268.000  1.529
   76    77   340.000  1.090
   76    78   317.000  1.522
   76    80   268.000  1.529
   78    79   570.000  1.229
   78    84   320.000  1.462
   84    85   549.000  1.340
   84    87   510.000  1.338
   85    86   340.000  1.080
   85    89   317.000  1.510
   89    90   268.000  1.529
   89    92   268.000  1.529
   90    91   340.000  1.090
   90    96   268.000  1.529
   90    64   268.000  1.529
   96    97   340.000  1.090
   96    98   268.000  1.529
   96   100   320.000  1.410
   98    99   340.000  1.090
   98   102   268.000  1.529
   98   103   320.000  1.410
  102    61   268.000  1.529
  102    73   320.000  1.410
  102   105   317.000  1.522
   61    62   340.000  1.090
   61    64   268.000  1.529
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   320.000  1.410
  105   106   570.000  1.229
  105   107   214.000  1.327
  107   108   320.000  1.410
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  103   104   553.000  0.945
  100   101   553.000  0.945
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   87    88   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   33    44    52    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    56    81.00000  111.40000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    56    57    83.00000  116.90000
   56    46    47    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    90.00000  108.74100
   56    57    61    50.00000  109.50000
   57    59    60    80.00000  120.40000
   57    59    63    81.00000  111.40000
   57    61   102    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    64    58.35000  112.70000
   59    57    58    35.00000  109.50000
   59    63    65    83.00000  116.90000
   63    59    60    83.00000  123.40000
   63    65    66    35.00000  109.50000
   63    65    70    50.00000  109.50000
   63    65    64    50.00000  109.50000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    74    58.35000  112.70000
   65    64    90    58.35000  112.70000
   65    64    61    58.35000  112.70000
   65    64    67    58.35000  112.70000
   70    65    66    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    58.35000  112.70000
   70    74    89    58.35000  112.70000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    76    77    37.50000  110.70000
   74    76    78    63.00000  111.10000
   74    76    80    58.35000  112.70000
   74    89    85    70.00000  112.02700
   74    89    90    58.35000  112.70000
   74    89    92    58.35000  112.70000
   76    74    75    37.50000  110.70000
   76    78    79    80.00000  120.40000
   76    78    84    65.00000  118.62400
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    83    37.50000  110.70000
   78    76    77    35.00000  109.50000
   78    84    85    65.00000  118.96000
   78    84    87    85.00000  116.28000
   84    78    79    80.00000  123.72100
   84    85    86    35.00000  120.00000
   84    85    89    70.00000  124.00000
   84    87    88    70.00000  107.45700
   85    89    90    70.00000  112.02700
   85    89    92    70.00000  112.02700
   89    74    75    37.50000  110.70000
   89    74    76    58.35000  112.70000
   89    85    86    35.00000  117.00000
   89    90    91    37.50000  110.70000
   89    90    96    58.35000  112.70000
   89    90    64    58.35000  112.70000
   89    92    93    37.50000  110.70000
   89    92    94    37.50000  110.70000
   89    92    95    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    58.35000  112.70000
   90    96   100    50.00000  109.50000
   90    64    61    58.35000  112.70000
   90    64    67    58.35000  112.70000
   96    90    91    37.50000  110.70000
   96    98    99    37.50000  110.70000
   96    98   102    58.35000  112.70000
   96    98   103    50.00000  109.50000
   96   100   101    55.00000  108.50000
   98    96    97    37.50000  110.70000
   98   102    61    58.35000  112.70000
   98   102    73    50.00000  109.50000
   98   102   105    63.00000  111.10000
   98   103   104    55.00000  108.50000
  102    98    99    37.50000  110.70000
  102    61    62    37.50000  110.70000
  102    61    64    58.35000  112.70000
  102    73    67    60.00000  109.50000
  102   105   106    80.00000  120.40000
  102   105   107    81.00000  111.40000
   61    57    58    37.50000  110.70000
   61    57    59    63.00000  111.10000
   61    64    67    58.35000  112.70000
   64    65    66    37.50000  110.70000
   64    65    70    58.35000  112.70000
   64    90    91    37.50000  110.70000
   64    90    96    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    73    50.00000  109.50000
   69    67    68    33.00000  107.80000
   73   102    61    50.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    69    35.00000  109.50000
  105   102    61    63.00000  111.10000
  105   102    73    90.00000  108.74100
  105   107   108    83.00000  116.90000
  107   105   106    83.00000  123.40000
  107   108   109    35.00000  109.50000
  107   108   110    35.00000  109.50000
  107   108   111    35.00000  109.50000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  103    98    99    35.00000  109.50000
  103    98   102    50.00000  109.50000
  100    96    97    35.00000  109.50000
  100    96    98    50.00000  109.50000
   92    89    90    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   87    84    85    80.00000  121.38400
   80    76    77    37.50000  110.70000
   80    76    78    63.00000  111.10000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   48    44    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    48    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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
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   96    90    64    65   0.20000  1.0 3.0
   96    90    64    61   0.56750  1.0 1.0
   96    90    64    61  -0.07550 -1.0 2.0
   96    90    64    61   0.20000  1.0 3.0
   96    90    64    67   0.56750  1.0 1.0
   96    90    64    67  -0.07550 -1.0 2.0
   96    90    64    67   0.20000  1.0 3.0
   96    98  -102    61   0.56750  1.0 1.0
   96    98  -102    61  -0.07550 -1.0 2.0
   96    98  -102    61   0.20000  1.0 3.0
   96    98   102    73   0.62750  1.0 1.0
   96    98   102    73  -0.30950 -1.0 2.0
   96    98   102    73   0.27300  1.0 3.0
   96    98   102   105  -0.95700  1.0 1.0
   96    98   102   105  -0.18200 -1.0 2.0
   96    98   102   105   0.29450  1.0 3.0
   96    98   103   104  -0.11600  1.0 1.0
   96    98   103   104  -0.09450 -1.0 2.0
   96    98   103   104   0.21250  1.0 3.0
   97    96    98    99   0.15000  1.0 3.0
   97    96    98   102   0.15000  1.0 3.0
   97    96    98   103   0.23400  1.0 3.0
   97    96   100   101   0.19450  1.0 3.0
   98    96   100   101  -0.11600  1.0 1.0
   98    96   100   101  -0.09450 -1.0 2.0
   98    96   100   101   0.21250  1.0 3.0
   98   102    61    57   0.56750  1.0 1.0
   98   102    61    57  -0.07550 -1.0 2.0
   98   102    61    57   0.20000  1.0 3.0
   98   102    61    62   0.15000  1.0 3.0
   98   102    61    64   0.56750  1.0 1.0
   98   102    61    64  -0.07550 -1.0 2.0
   98   102    61    64   0.20000  1.0 3.0
   98   102    73    67   0.06250  1.0 1.0
   98   102    73    67  -0.01100 -1.0 2.0
   98   102    73    67   0.28050  1.0 3.0
   98   102   105   106   0.30150 -1.0 2.0
   98   102   105   107   0.36750  1.0 3.0
   99    98   102    61   0.15000  1.0 3.0
   99    98   102    73   0.23400  1.0 3.0
   99    98   102   105  -0.11250  1.0 3.0
   99    98   103   104   0.19450  1.0 3.0
  102    98   103   104  -0.11600  1.0 1.0
  102    98   103   104  -0.09450 -1.0 2.0
  102    98   103   104   0.21250  1.0 3.0
  102    61    64    65   0.56750  1.0 1.0
  102    61    64    65  -0.07550 -1.0 2.0
  102    61    64    65   0.20000  1.0 3.0
  102    61   -64    90   0.56750  1.0 1.0
  102    61   -64    90  -0.07550 -1.0 2.0
  102    61   -64    90   0.20000  1.0 3.0
  102    61   -64    67   0.56750  1.0 1.0
  102    61   -64    67  -0.07550 -1.0 2.0
  102    61   -64    67   0.20000  1.0 3.0
  102   105   107   108   1.63150  1.0 1.0
  102   105   107   108   2.92000 -1.0 2.0
   61    57    59    60   0.30150 -1.0 2.0
   61    57   -59    63   0.36750  1.0 3.0
   61   102   -73    67   0.06250  1.0 1.0
   61   102   -73    67  -0.01100 -1.0 2.0
   61   102   -73    67   0.28050  1.0 3.0
   61   102   105   106   0.30150 -1.0 2.0
   61   102   105   107   0.36750  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64   -67    73   0.62750  1.0 1.0
   61    64   -67    73  -0.30950 -1.0 2.0
   61    64   -67    73   0.27300  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    90   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   64    65    70    71   0.15000  1.0 3.0
   64    65    70    72   0.15000  1.0 3.0
   64    65   -70    74   0.56750  1.0 1.0
   64    65   -70    74  -0.07550 -1.0 2.0
   64    65   -70    74   0.20000  1.0 3.0
   64    90    96    97   0.15000  1.0 3.0
   64    90   -96    98   0.56750  1.0 1.0
   64    90   -96    98  -0.07550 -1.0 2.0
   64    90   -96    98   0.20000  1.0 3.0
   64    90    96   100   0.86500  1.0 1.0
   64    90    96   100  -0.17500 -1.0 2.0
   64    90    96   100   0.20800  1.0 3.0
   64    67   -73   102   0.06250  1.0 1.0
   64    67   -73   102  -0.01100 -1.0 2.0
   64    67   -73   102   0.28050  1.0 3.0
   68    67    73   102   0.37050  1.0 3.0
   69    67    73   102   0.37050  1.0 3.0
   73   102    61    57   0.62750  1.0 1.0
   73   102    61    57  -0.30950 -1.0 2.0
   73   102    61    57   0.27300  1.0 3.0
   73   102    61    62   0.23400  1.0 3.0
   73   102   -61    64   0.62750  1.0 1.0
   73   102   -61    64  -0.30950 -1.0 2.0
   73   102   -61    64   0.27300  1.0 3.0
   73   102   105   106   0.30150 -1.0 2.0
   73   102   105   107   0.40000  1.0 3.0
  105   102    61    57  -0.95700  1.0 1.0
  105   102    61    57  -0.18200 -1.0 2.0
  105   102    61    57   0.29450  1.0 3.0
  105   102    61    62  -0.11250  1.0 3.0
  105   102    61    64  -0.95700  1.0 1.0
  105   102    61    64  -0.18200 -1.0 2.0
  105   102    61    64   0.29450  1.0 3.0
  105   102    73    67  -1.11000  1.0 1.0
  105   102    73    67   0.50250 -1.0 2.0
  105   102    73    67   0.47450  1.0 3.0
  105   107   108   109   0.08050  1.0 3.0
  105   107   108   110   0.08050  1.0 3.0
  105   107   108   111   0.08050  1.0 3.0
  106   105   107   108   3.00000 -1.0 2.0
  103    98   102    61   0.86500  1.0 1.0
  103    98   102    61  -0.17500 -1.0 2.0
  103    98   102    61   0.20800  1.0 3.0
  103    98   102    73   3.69350  1.0 1.0
  103    98   102    73  -1.82950 -1.0 2.0
  103    98   102   105  -0.09450  1.0 1.0
  103    98   102   105  -1.12950 -1.0 2.0
  103    98   102   105   0.54000  1.0 3.0
  100    96    98    99   0.23400  1.0 3.0
  100    96    98   102   0.86500  1.0 1.0
  100    96    98   102  -0.17500 -1.0 2.0
  100    96    98   102   0.20800  1.0 3.0
  100    96    98   103   3.75450  1.0 1.0
   92    89    90    91   0.15000  1.0 3.0
   92    89    90    96   0.56750  1.0 1.0
   92    89    90    96  -0.07550 -1.0 2.0
   92    89    90    96   0.20000  1.0 3.0
   92    89    90    64   0.56750  1.0 1.0
   92    89    90    64  -0.07550 -1.0 2.0
   92    89    90    64   0.20000  1.0 3.0
   87    84    85    86   7.00000 -1.0 2.0
   87    84    85    89   7.00000 -1.0 2.0
   80    76    78    79   0.30150 -1.0 2.0
   80    76    78    84   0.65300  1.0 1.0
   80    76    78    84  -0.03850 -1.0 2.0
   80    76    78    84   0.33900  1.0 3.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    46  -0.95700  1.0 1.0
   44    33    41    46  -0.18200 -1.0 2.0
   44    33    41    46   0.29450  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   48    44    52    53   0.15000  1.0 3.0
   48    44    52    54   0.15000  1.0 3.0
   48    44    52    55   0.15000  1.0 3.0
   52    44    48    49   0.15000  1.0 3.0
   52    44    48    50   0.15000  1.0 3.0
   52    44    48    51   0.15000  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
   41    56    46    47  10.50000 -1.0 2.0
   57    63    59    60  10.50000 -1.0 2.0
   76    84    78    79  10.50000 -1.0 2.0
   78    87    84    85   1.10000 -1.0 2.0
   89    86    85    84   1.10000 -1.0 2.0
  102   107   105   106  10.50000 -1.0 2.0
END
