* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    215    339     630
    1     0 S   NP   _N1_     1    29.60767    99.23394   -24.83068
    2     1 S   H    _HN1     2     1.02829    45.15602   172.21288
    3     1 S   H    _H1_     3     1.02784   119.75691  -101.78157
    4     1 S   H    _H2_     4     1.02949    61.94480    -5.65375
    5     1 S   CT   _CA1     5     1.50111   127.21069    89.59267
    6     5 S   HC   _HA1     6     1.09571   105.20067   108.00963
    7     5 S   CO3  _C1_     7     1.53801   112.44904   -12.25153
    8     7 S   O2Z  _O11     8     1.26375   115.00391   -42.42682
    9     7 S   O2Z  _O12     9     1.26235   114.95828   136.70820
   10     5 S   CT   _CB1    10     1.53085   107.42649  -133.96850
   11    10 S   HC   HB11    11     1.09832   109.42591   -49.34145
   12    10 S   HC   HB12    12     1.09812   110.43459    67.29217
   13    10 S   CT   _CG1    13     1.52980   112.57277  -170.29092
   14    13 S   HC   HG11    14     1.09582   110.64127   -65.12066
   15    13 S   HC   HG12    15     1.09672   109.77106    54.09244
   16    13 S   C    _CD1    16     1.51811   112.24783   174.60279
   17    16 S   O    _OE1    17     1.22725   123.29952     7.28564
   18    16 S   N    _N2_    18     1.38657   111.61013  -172.85611
   19    18 S   H    _HN2    19     1.01582   118.96685     2.30639
   20    18 S   CT1  _CA2    20     1.46199   123.40289   177.91456
   21    20 S   HC   _HA2    21     1.09714   109.18664     8.89554
   22    20 S   C    _C2_    22     1.53766   110.25985  -107.15278
   23    22 S   O    _O2_    23     1.23136   121.75526  -161.85158
   24    20 S   CT   _CB2    32     1.53319   111.04146   130.79109
   25    24 S   HC   HB21    33     1.09570   109.45660    54.83378
   26    24 S   HC   HB22    34     1.09450   110.47333   173.90693
   27    22 S   N    _N3_    24     1.38112   114.61855    24.27425
   28    27 S   H    _HN3    25     1.01546   119.62033    -1.91530
   29    24 S   S    _SG2    35     1.82802   111.96025   -66.10075
   30    27 S   CT   _CA3    26     1.45280   123.14998   177.54936
   31    30 S   HC   HA31    27     1.09538   107.45116   -68.97894
   32    30 S   HC   HA32    28     1.09551   108.10202    47.43846
   33    29 S   CT   _C33    36     1.83722    99.40743   162.53873
   34    33 S   HC   _H3_    37     1.09494   106.72698   -54.38464
   35    30 S   CO3  _C3_    29     1.52920   114.00804   169.93729
   36    35 S   O2Z  _O31    30     1.26371   116.01054     9.72642
   37    35 S   O2Z  _O32    31     1.26421   114.42622  -170.25724
   38    33 S   CM   _C10    38     1.50847   107.96298  -171.41897
   39    38 S   HC   _H42    39     1.08879   117.34230   -63.67547
   40    33 S   CM   _C11    52     1.51077   110.09015    67.39043
   41    40 S   HC   _H43    53     1.09211   115.18341    67.04846
   42    38 S   CM   _C9_    40     1.34258   123.79353   116.56698
   43    42 S   HC   _H41    41     1.08720   119.51463     0.01978
   44    40 S   CMA  _C12    54     1.35668   127.02721  -113.29439
   45    44 S   OM   _O33    55     1.26695   123.32745  -179.42359
   46    42 S   CT   _C31    42     1.50084   123.83197   179.61641
   47    46 S   HC   _H72    43     1.09685   110.79909    -4.61613
   48    46 S   HC   _H73    44     1.09661   108.42557  -121.53392
   49    44 S   OS   _O38    56     1.41137   111.13931     1.39788
   50    46 S   CT   _C32    45     1.52881   111.19595   117.60939
   51    50 S   HC   _H74    46     1.09687   110.11496    58.32455
   52    50 S   HC   _H75    47     1.09688   110.02295   -59.43312
   53    49 S   CT   _C20    57     1.44121   119.99610   178.15093
   54    53 S   HC   _H51    58     1.09777   110.82136   -24.09492
   55    50 S   CT   _C29    48     1.52074   111.43664   179.45106
   56    55 S   HC   _H67    49     1.09468   111.00209    60.30874
   57    55 S   HC   _H68    50     1.09450   110.25750  -179.95577
   58    55 S   HC   _H69    51     1.09468   110.99366   -60.22290
   59    53 S   CT   _C19    59     1.56562   106.92666  -138.89362
   60    59 S   HC   _H50    60     1.09708   108.52555   -35.99571
   61    59 S   CT   _C21    61     1.56957   113.22569  -155.75028
   62    59 S   CT   _C26   109     1.54157   106.47122    76.39055
   63    62 S   HC   _H58   110     1.09364   112.10323    80.39206
   64    62 S   HC   _H59   111     1.09448   111.45797   -39.38065
   65    62 S   HC   _H60   112     1.09222   111.35076  -156.72589
   66    61 S   CT   _C15    62     1.56653   117.56776  -176.36714
   67    66 S   HC   _H46    63     1.10188   106.68287   161.11561
   68    61 S   CT   _C16    77     1.57646   106.66127    60.81188
   69    68 S   HC   _H47    78     1.09543   107.36496    55.41251
   70    61 S   OH   _O36   107     1.43372   109.20106   -55.41368
   71    70 S   HO   _H77   108     0.97108   108.58658   -64.56349
   72    66 S   CM   _C4_    64     1.50140   120.88303    44.70493
   73    72 S   HC   _H39    65     1.08288   122.06686    48.47530
   74    68 S   C3T  _C18    79     1.51740   111.12938   -59.77936
   75    74 S   HC   _H49    80     1.08601   111.90246  -106.40745
   76    72 S   CM   _C6_    66     1.33670   115.18708  -135.84057
   77    53 S   C3T  _C22    81     1.51491   109.10516    94.45304
   78    76 S   CO4  _C8_    67     1.47326   105.77885     1.43559
   79    78 S   O    _O34    68     1.22201   123.57713  -174.89217
   80    74 S   C3T  _C23    82     1.52462   121.26641   106.22667
   81    77 S   OS   _O39    91     1.45513   112.61862   -88.56511
   82    76 S   CT   _C24   103     1.47773   130.32888  -177.46820
   83    82 S   HC   _H52   104     1.09435   110.56729   117.58084
   84    82 S   HC   _H53   105     1.09468   111.44537    -2.57055
   85    82 S   HC   _H54   106     1.09421   110.38786  -122.50008
   86    66 S   CT   _C17    69     1.53966   112.45652   -78.51405
   87    86 S   HC   _H48    70     1.09664   112.00943    30.87380
   88    80 S   CT   _C27    83     1.51648   115.58898   140.22482
   89    88 S   HC   _H61    84     1.09505   110.16752   147.71804
   90    88 S   HC   _H62    85     1.09519   112.58916    27.07711
   91    88 S   HC   _H63    86     1.09528   110.26694   -92.72686
   92    80 S   CT   _C28    87     1.50846   122.72012    -1.88689
   93    92 S   HC   _H64    88     1.09504   109.81095  -161.11659
   94    92 S   HC   _H65    89     1.09542   109.99781    80.34731
   95    92 S   HC   _H66    90     1.08931   114.51842   -40.69001
   96    81 S   CO4  _C13    92     1.36151   119.84433   -78.78418
   97    96 S   O    _O35    93     1.22208   126.72428    -1.77410
   98    86 S   CT   _C14    71     1.53305   112.42790   -94.83093
   99    98 S   HC   _H44    72     1.09919   107.94532   -81.29936
  100    98 S   HC   _H45    73     1.09743   108.90968   164.41972
  101    96 S   CT   _C25    94     1.49840   109.31923   178.61393
  102   101 S   HC   _H55    95     1.09286   109.87474   -60.45265
  103   101 S   HC   _H56    96     1.09379   109.36244  -179.45896
  104   101 S   HC   _H57    97     1.09291   109.80961    61.46918
  105    98 S   CM   _C7_    74     1.52217   117.16846    40.25857
  106   105 S   CM   _C5_    75     1.35030   125.70061    15.85566
  107   106 S   HC   _H40    76     1.08871   117.77865  -177.19774
  108   105 S   CT   _C30    98     1.50983   114.54977  -161.44613
  109   108 S   HC   _H70    99     1.09506   112.27651   178.49052
  110   108 S   HC   _H71   100     1.09522   110.19128    57.97136
  111   108 S   OH   _O37   101     1.42123   109.31324   -61.59113
  112   111 S   HO   _H78   102     0.97221   107.00203   179.02201
  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
  11   6   2   1   1  10   4   6   3   8   4   6   2   9   5   4
  10   6   5   4  19   8   3   2   1   1  19   9  24   7   2   1
   1  19   9  17   8   5   1  11   4  16   6   9  14  11   4  11
   8   4   2   1   1   7   4   7   3   2   1   3   2   1   1   5
   4   9   4   3   3   2   1   1   7   5   1   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    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    50    40    41    44  
   42    43    46    40  
   41    44    45    49    53    42  
   44    45    49  
   43    46    47    48    50    51    52    55  
   46    47    48    50  
   45    49    53    54    59    77  
   49    53  
   47    48    50    51    52    55    56    57    58  
   48    50    51    52    55  
   50    51    52    55  
   53    54    59    60    61    74    77    80    81    62  
   51    52    55    56    57    58  
   52    55    56    57    58  
   55    56    57    58  
   54    59    60    61    66    68    74    75    77    80    88    92    81    96    70    62    63    64    65  
   59    60    61    74    77    80    81    62  
   56    57    58  
   57    58  
   58  
    0  
   60    61    66    67    72    86   106    68    69    74    77    80    81    70    71    62    63    64    65  
   61    66    68    77    70    62    63    64    65  
   66    67    72    73    76    78    86    87    98   105   106   107    68    69    74    75    77    80    70    71    62    63    64    65  
   63    64    65    66    68    70    77  
   64    65  
   65  
    0  
   67    72    73    76    78    79    86    87    98    99   100   105   106    68    69    74    82    70    71  
   72    73    76    78    86    87    98    68    70  
   69    74    75    77    80    88    92    81   108    70    71    72    86    98   105   106   107  
   74    75    77    80    70   105   106   107  
   71    72    74    86   106  
    0  
   73    76    78    79    86    87    98    82    83    84    85  
   76    78    86    82  
   75    77    80    88    89    90    91    92    93    94    95    81    96   105   106   107  
   77    80    88    92    81   106  
   78    79    86    87    98    82    83    84    85  
   80    88    89    90    91    92    93    94    95    81    96    97   101   106  
   79    86    87    98    99   100   105    82    83    84    85  
   86    87    98    82  
   88    89    90    91    92    93    94    95    81    96   106  
   96    97   101   102   103   104    88    92  
   83    84    85    86  
   84    85  
   85  
    0  
   87    98    99   100   105   106   108  
   98    99   100   105  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
   97   101   102   103   104  
  101   102   103   104  
   99   100   105   106   107   108   109   110   111  
  100   105   106   108  
  105   106   108  
  102   103   104  
  103   104  
  104  
    0  
  106   107   108   109   110   111   112  
  107   108   109   110   111  
  108  
  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  -0.335000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660   0.206000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   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   3.7500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  106   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  107   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  112   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    49   440.000  1.360
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    77   275.000  1.510
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    66   268.000  1.529
   61    68   268.000  1.529
   61    70   320.000  1.410
   66    67   340.000  1.090
   66    72   317.000  1.510
   66    86   268.000  1.529
   72    73   340.000  1.080
   72    76   549.000  1.340
   76    78   320.000  1.462
   76    82   317.000  1.510
   78    79   570.000  1.229
   78    86   317.000  1.522
   86    87   340.000  1.090
   86    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   105   317.000  1.510
  105   106   549.000  1.340
  105   108   317.000  1.510
  106   107   340.000  1.080
  106    68   317.000  1.510
   68    69   340.000  1.090
   68    74   275.000  1.510
   74    75   340.000  1.088
   74    77   260.000  1.509
   74    80   260.000  1.509
   77    80   260.000  1.509
   77    81   320.000  1.410
   80    88   275.000  1.510
   80    92   275.000  1.510
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   81    96   214.000  1.327
   96    97   570.000  1.229
   96   101   317.000  1.522
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   320.000  1.410
  111   112   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   70    71   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    50    70.00000  112.02700
   46    42    43    35.00000  117.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    49    80.00000  120.01400
   44    40    41    40.00000  120.50800
   44    49    53    90.00000  111.18400
   49    44    45    65.00000  121.00000
   49    53    54    35.00000  109.50000
   49    53    59    50.00000  109.50000
   49    53    77    50.00000  109.50000
   53    59    60    37.50000  110.70000
   53    59    61    58.35000  112.70000
   53    59    62    58.35000  112.70000
   53    77    74    60.00000  120.94000
   53    77    80    60.00000  120.94000
   53    77    81    50.00000  109.50000
   59    53    54    37.50000  110.70000
   59    61    66    58.35000  112.70000
   59    61    68    58.35000  112.70000
   59    61    70    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    72    70.00000  112.02700
   61    66    86    58.35000  112.70000
   61    68   106    70.00000  112.02700
   61    68    69    37.50000  110.70000
   61    68    74    70.00000  112.37300
   61    70    71    55.00000  108.50000
   66    72    73    35.00000  117.00000
   66    72    76    70.00000  124.00000
   66    86    78    63.00000  111.10000
   66    86    87    37.50000  110.70000
   66    86    98    58.35000  112.70000
   72    66    67    35.00000  109.50000
   72    76    78    65.00000  118.96000
   72    76    82    70.00000  124.00000
   76    72    73    35.00000  120.00000
   76    78    79    80.00000  123.72100
   76    78    86    65.00000  118.62400
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    98    63.00000  111.10000
   86    66    67    37.50000  110.70000
   86    66    72    70.00000  112.02700
   86    78    79    80.00000  120.40000
   86    98    99    37.50000  110.70000
   86    98   100    37.50000  110.70000
   86    98   105    70.00000  112.02700
   98    86    87    37.50000  110.70000
   98   105   106    70.00000  124.00000
   98   105   108    65.00000  117.92700
  100    98    99    33.00000  107.80000
  105    98    99    35.00000  109.50000
  105    98   100    35.00000  109.50000
  105   106   107    35.00000  120.00000
  105   106    68    70.00000  124.00000
  105   108   109    35.00000  109.50000
  105   108   110    35.00000  109.50000
  105   108   111    90.00000  110.39200
  106    68    69    35.00000  109.50000
  106    68    74    70.00000  112.02700
   68    61    66    58.35000  112.70000
   68   106   107    35.00000  117.00000
   68    74    75    40.00000  115.04500
   68    74    77    60.00000  120.94000
   68    74    80    60.00000  120.94000
   74    68    69    45.00000  109.38400
   74    77    80    10.00000   60.00500
   74    77    81    50.00000  109.50000
   74    80    77    10.00000   60.00500
   74    80    88    60.00000  120.94000
   74    80    92    60.00000  120.94000
   77    53    54    45.00000  109.38400
   77    53    59    70.00000  112.37300
   77    74    75    37.50000  117.20000
   77    80    88    60.00000  120.94000
   77    80    92    60.00000  120.94000
   77    81    96    83.00000  116.90000
   80    74    75    37.50000  117.20000
   80    74    77    10.00000   60.00500
   80    88    89    45.00000  109.38400
   80    88    90    45.00000  109.38400
   80    88    91    45.00000  109.38400
   80    92    93    45.00000  109.38400
   80    92    94    45.00000  109.38400
   80    92    95    45.00000  109.38400
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    80    88    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
   81    77    80    50.00000  109.50000
   81    96    97    83.00000  123.40000
   81    96   101    81.00000  111.40000
   96   101   102    35.00000  109.50000
   96   101   103    35.00000  109.50000
   96   101   104    35.00000  109.50000
  101    96    97    80.00000  120.40000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  108   105   106    70.00000  124.00000
  108   111   112    55.00000  108.50000
  110   108   109    33.00000  107.80000
  111   108   109    35.00000  109.50000
  111   108   110    35.00000  109.50000
   82    76    78    65.00000  116.34900
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   70    61    66    50.00000  109.50000
   70    61    68    50.00000  109.50000
   62    59    60    37.50000  110.70000
   62    59    61    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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
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   68    74    80    88   0.20000  1.0 3.0
   68    74    80    92   0.56750  1.0 1.0
   68    74    80    92  -0.07550 -1.0 2.0
   68    74    80    92   0.20000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   74    77   -80    88   0.07850  1.0 1.0
   74    77   -80    88  -0.03950 -1.0 2.0
   74    77   -80    88   0.67350  1.0 3.0
   74    77   -80    92   0.07850  1.0 1.0
   74    77   -80    92  -0.03950 -1.0 2.0
   74    77   -80    92   0.67350  1.0 3.0
   74    77    81    96  -0.25900  1.0 1.0
   74    77    81    96  -0.47000 -1.0 2.0
   74    77    81    96   0.11750  1.0 3.0
   74    80    88    89   0.15000  1.0 3.0
   74    80    88    90   0.15000  1.0 3.0
   74    80    88    91   0.15000  1.0 3.0
   74    80    92    93   0.15000  1.0 3.0
   74    80    92    94   0.15000  1.0 3.0
   74    80    92    95   0.15000  1.0 3.0
   75    74    77    53   0.15000  1.0 3.0
   75    74   -77    80   0.15000  1.0 3.0
   75    74    77    81   0.15000  1.0 3.0
   75    74   -80    77   0.15000  1.0 3.0
   75    74    80    88   0.15000  1.0 3.0
   75    74    80    92   0.15000  1.0 3.0
   77    53    59    60   0.15000  1.0 3.0
   77    53   -59    61   0.47050  1.0 1.0
   77    53   -59    61   0.03900 -1.0 2.0
   77    53   -59    61   0.20100  1.0 3.0
   77    53    59    62   0.47050  1.0 1.0
   77    53    59    62   0.03900 -1.0 2.0
   77    53    59    62   0.20100  1.0 3.0
   77    74   -80    88   0.07850  1.0 1.0
   77    74   -80    88  -0.03950 -1.0 2.0
   77    74   -80    88   0.67350  1.0 3.0
   77    74   -80    92   0.07850  1.0 1.0
   77    74   -80    92  -0.03950 -1.0 2.0
   77    74   -80    92   0.67350  1.0 3.0
   77    80    88    89   0.15000  1.0 3.0
   77    80    88    90   0.15000  1.0 3.0
   77    80    88    91   0.15000  1.0 3.0
   77    80    92    93   0.15000  1.0 3.0
   77    80    92    94   0.15000  1.0 3.0
   77    80    92    95   0.15000  1.0 3.0
   77    81    96    97   3.00000 -1.0 2.0
   77    81    96   101   1.63150  1.0 1.0
   77    81    96   101   2.92000 -1.0 2.0
   80    74   -77    53   0.07850  1.0 1.0
   80    74   -77    53  -0.03950 -1.0 2.0
   80    74   -77    53   0.67350  1.0 3.0
   80    74   -77    81  -0.26800  1.0 1.0
   80    74   -77    81   0.69150 -1.0 2.0
   80    74   -77    81  -0.48750  1.0 3.0
   80    77    81    96  -0.25900  1.0 1.0
   80    77    81    96  -0.47000 -1.0 2.0
   80    77    81    96   0.11750  1.0 3.0
   88    80    92    93   0.15000  1.0 3.0
   88    80    92    94   0.15000  1.0 3.0
   88    80    92    95   0.15000  1.0 3.0
   92    80    88    89   0.15000  1.0 3.0
   92    80    88    90   0.15000  1.0 3.0
   92    80    88    91   0.15000  1.0 3.0
   81    77   -80    74  -0.26800  1.0 1.0
   81    77   -80    74   0.69150 -1.0 2.0
   81    77   -80    74  -0.48750  1.0 3.0
   81    77    80    88   0.62750  1.0 1.0
   81    77    80    88  -0.30950 -1.0 2.0
   81    77    80    88   0.27300  1.0 3.0
   81    77    80    92   0.62750  1.0 1.0
   81    77    80    92  -0.30950 -1.0 2.0
   81    77    80    92   0.27300  1.0 3.0
   81    96   101   102   0.00000  1.0 1.0
   81    96   101   103   0.00000  1.0 1.0
   81    96   101   104   0.00000  1.0 1.0
   97    96   101   102   0.00000  1.0 1.0
   97    96   101   103   0.00000  1.0 1.0
   97    96   101   104   0.00000  1.0 1.0
  108   105   106   107   7.00000 -1.0 2.0
  108   105   106    68   7.00000 -1.0 2.0
  109   108   111   112   0.19450  1.0 3.0
  110   108   111   112   0.19450  1.0 3.0
   82    76    78    79  -0.64400  1.0 1.0
   82    76    78    79   0.26850 -1.0 2.0
   82    76    78    86   0.25700  1.0 1.0
   82    76    78    86   0.66200 -1.0 2.0
   82    76    78    86   0.04450  1.0 3.0
   70    61    66    67   0.23400  1.0 3.0
   70    61    66    72   1.05650  1.0 1.0
   70    61    66    72   0.15600 -1.0 2.0
   70    61    66    72   0.53150  1.0 3.0
   70    61    66    86   0.86500  1.0 1.0
   70    61    66    86  -0.17500 -1.0 2.0
   70    61    66    86   0.20800  1.0 3.0
   70    61    68   106   1.05650  1.0 1.0
   70    61    68   106   0.15600 -1.0 2.0
   70    61    68   106   0.53150  1.0 3.0
   70    61    68    69   0.23400  1.0 3.0
   70    61    68    74   0.86500  1.0 1.0
   70    61    68    74  -0.17500 -1.0 2.0
   70    61    68    74   0.20800  1.0 3.0
   62    59    61    66   0.56750  1.0 1.0
   62    59    61    66  -0.07550 -1.0 2.0
   62    59    61    66   0.20000  1.0 3.0
   62    59    61    68   0.56750  1.0 1.0
   62    59    61    68  -0.07550 -1.0 2.0
   62    59    61    68   0.20000  1.0 3.0
   62    59    61    70   0.86500  1.0 1.0
   62    59    61    70  -0.17500 -1.0 2.0
   62    59    61    70   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   45    49    44    40  15.00000 -1.0 2.0
   66    73    72    76   1.10000 -1.0 2.0
   78    82    76    72   1.10000 -1.0 2.0
   76    86    78    79  10.50000 -1.0 2.0
   98   108   105   106   1.10000 -1.0 2.0
   68   107   106   105   1.10000 -1.0 2.0
   81   101    96    97  10.50000 -1.0 2.0
END
