* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    166    273     499
    1     0 S   NP   _N1_     1    29.06941    93.84066   -19.11277
    2     1 S   H    _HN1     2     1.02763    78.60030   -71.66709
    3     1 S   H    _H1_     3     1.02952   104.48434    34.61676
    4     1 S   H    _H2_     4     1.02827    32.42262   133.68597
    5     1 S   CT   _CA1     5     1.50271   136.90473   177.80920
    6     5 S   HC   _HA1     6     1.09563   105.10363    35.93726
    7     5 S   CO3  _C1_     7     1.53934   112.02151   -84.01724
    8     7 S   O2Z  _O11     8     1.26452   115.01237   -41.79190
    9     7 S   O2Z  _O12     9     1.26239   114.88903   136.52544
   10     5 S   CT   _CB1    10     1.53057   107.28779   153.81167
   11    10 S   HC   HB11    11     1.09819   109.43331   -46.04355
   12    10 S   HC   HB12    12     1.09827   110.32329    70.42745
   13    10 S   CT   _CG1    13     1.53146   112.94797  -167.10477
   14    13 S   HC   HG11    14     1.09408   110.49906   -58.22718
   15    13 S   HC   HG12    15     1.09610   110.24819    60.62126
   16    13 S   C    _CD1    16     1.51944   111.31469   179.87646
   17    16 S   O    _OE1    17     1.22863   122.57204   -27.21009
   18    16 S   N    _N2_    18     1.38516   112.59961   154.19501
   19    18 S   H    _HN2    19     1.01714   119.22378    -1.99988
   20    18 S   CT1  _CA2    20     1.46331   123.29032  -178.06589
   21    20 S   HC   _HA2    21     1.09736   109.15190   -10.49923
   22    20 S   C    _C2_    22     1.53395   108.91808  -126.27968
   23    22 S   O    _O2_    23     1.23047   122.10248  -149.28474
   24    20 S   CT   _CB2    32     1.53737   111.71115   111.12452
   25    24 S   HC   HB21    33     1.09049   109.64044    63.85281
   26    24 S   HC   HB22    34     1.09576   109.95770  -178.90729
   27    22 S   N    _N3_    24     1.38477   113.54240    38.29509
   28    27 S   H    _HN3    25     1.01524   118.83226    -1.13160
   29    24 S   S    _SG2    35     1.83130   111.04985   -60.35048
   30    27 S   CT   _CA3    26     1.45434   123.50376   175.22439
   31    30 S   HC   HA31    27     1.09523   109.26790    23.74123
   32    30 S   HC   HA32    28     1.09499   107.11293   140.70759
   33    29 S   CT   _C20    36     1.86482   104.32463   145.36578
   34    33 S   OM   _O38    37     1.32203   110.48597    46.06722
   35    30 S   CO3  _C3_    29     1.52913   113.10636   -99.78356
   36    35 S   O2Z  _O31    30     1.26408   115.40261   -45.83026
   37    35 S   O2Z  _O32    31     1.26363   115.00765   135.15523
   38    33 S   CT   _C21    38     1.56241   111.42895   -77.51304
   39    38 S   HC   _H5_    39     1.10335   108.52564  -175.54174
   40    33 S   CT   _C19    71     1.60311   109.85202   163.51754
   41    40 S   HC   _H4_    72     1.10043   106.73066  -175.54807
   42    38 S   CO4  _C22    40     1.52863   108.09255   -62.84840
   43    42 S   O    _O36    41     1.22894   123.19832   119.38861
   44    40 S   NP   _N5_    73     1.55355   109.29250   -63.33574
   45    44 S   H    _H17    74     1.03123   101.82272   -15.46223
   46    38 S   C    _C23    85     1.53765   117.50810    67.52400
   47    46 S   O    _O37    86     1.22813   124.58481  -102.54255
   48    42 S   CT   _C16    42     1.52750   115.59568   -62.25384
   49    44 S   CT   _C24    75     1.50409   119.77380    98.71173
   50    49 S   HC   _H18    76     1.09046   109.69415    85.09864
   51    49 S   HC   _H19    77     1.09414   107.26121  -156.22122
   52    49 S   HC   _H20    78     1.08839   110.31321   -37.19407
   53    44 S   CT   _C25    79     1.50679   113.26492  -126.41445
   54    53 S   HC   _H21    80     1.09046   108.93620   -68.90532
   55    53 S   HC   _H22    81     1.09312   108.40384    52.11686
   56    53 S   HC   _H23    82     1.09345   108.02170   170.74592
   57    46 S   N    _N4_    87     1.37769   113.50697    78.39301
   58    57 S   H    _H15    88     1.01483   121.83449    -5.61590
   59    57 S   H    _H16    89     1.01342   120.59005   179.58646
   60    48 S   CO4  _C15    43     1.52355   111.23088   -70.76530
   61    60 S   O    _O35    44     1.23047   120.27929   -36.53405
   62    48 S   OH   _O39    83     1.42780   108.03438   174.74529
   63    62 S   HO   _H24    84     0.97587   108.10148    47.99334
   64    60 S   CA   _C7_    45     1.49527   119.89484   145.15591
   65    64 S   CA   _C6_    46     1.39442   119.43624     8.46640
   66    65 S   CA   _C5_    47     1.42471   119.29359   174.80118
   67    65 S   CT   _C18    66     1.51366   119.75171    -2.88975
   68    67 S   HC   _H13    67     1.09802   107.69880    91.30152
   69    67 S   HC   _H14    68     1.08836   109.92299  -153.26281
   70    66 S   CA   _C10    48     1.44995   121.64971    10.95174
   71    66 S   CT   _C4_    62     1.51731   117.38067  -166.78620
   72    71 S   HC   _H6_    63     1.09332   110.81255   -96.30281
   73    71 S   HC   _H7_    64     1.09457   112.25320    24.97343
   74    71 S   HC   _H8_    65     1.09377   110.85121   139.50795
   75    48 S   CT   _C17    69     1.53717   110.32116    56.48016
   76    75 S   HC   _H3_    70     1.09789   107.45115    70.68614
   77    70 S   CA   _C9_    49     1.42865   117.18746   -11.24337
   78    77 S   CA   _C14    50     1.42956   118.63542  -175.10655
   79    64 S   CA   _C8_    59     1.40547   121.21741  -172.73056
   80    78 S   CA   _C13    51     1.39072   122.98282    -1.98209
   81    80 S   HA   _H10    52     1.08597   121.43020  -179.81548
   82    78 S   OH   _O33    57     1.37593   120.41717   178.08910
   83    82 S   HO   _H11    58     0.97171   109.66392  -179.84549
   84    79 S   OH   _O34    60     1.37801   119.94216     0.60036
   85    84 S   HO   _H12    61     0.97218   110.28217    -5.71628
   86    80 S   CA   _C12    53     1.37671   119.04363    -1.61604
   87    86 S   HA   _H9_    54     1.08777   118.82923  -177.04567
   88    70 S   CA   _C11    55     1.44342   126.61593   168.56379
   89    88 S   Cl   Cl1_    56     1.74018   124.11525   -10.23360
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   7  22   8  13   5  13   9   5   3  12
   8   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13
  15  15   7   3   2  14   5   2   1   1   1   1  11   9   5   7
   4   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    75    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    67    75    76    40    41    44    45    49    53    46    47    57  
   38    39    42    75    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    60    75    40    41    44    62    46    47    57    58    59  
   42    43    48    40    46    47    57  
   41    44    45    49    50    51    52    53    54    55    56    62    46    42    48    60    65    67    68    69    75    76  
   44    45    49    53    48    67    75    76  
   43    48    60    61    64    67    75    76    62    63    46    47    57  
   48    60    75    62    46  
   45    49    50    51    52    53    54    55    56    48    67    75    76  
   49    50    51    52    53    54    55    56    75  
   47    57    58    59    48  
   57    58    59  
   60    61    64    65    79    67    68    69    75    76    62    63  
   50    51    52    53    54    55    56    75  
   51    52    53  
   52    53  
   53  
   54    55    56    75  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    64    65    66    77    79    84    67    75    76    62    63  
   64    65    79    75    62  
   63    64    67    75    76  
   75  
   65    66    70    77    78    79    84    85    71    67    68    69    75  
   66    70    77    88    79    84    71    72    73    74    67    68    69    75    76  
   70    77    78    86    88    89    79    71    72    73    74    67    68    69    75  
   68    69    75    76    70    71    79  
   69    75    76  
   75    76  
   77    78    80    86    87    88    89    82    79    84    71    72    73    74  
   72    73    74    77    88  
   73    74  
   74  
    0  
   76  
    0  
   78    80    81    86    88    89    82    83    79    84    85  
   80    81    86    87    88    82    83    79    84  
   84    85    80    82    88  
   81    86    87    88    89    82    83  
   86    87    88    82  
   83    86  
    0  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   89   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    60   317.000  1.522
   48    75   268.000  1.529
   48    62   320.000  1.410
   60    61   570.000  1.229
   60    64   310.000  1.470
   64    65   469.000  1.400
   64    79   469.000  1.400
   65    66   469.000  1.400
   65    67   317.000  1.510
   66    70   469.000  1.400
   66    71   317.000  1.510
   70    77   469.000  1.400
   70    88   469.000  1.400
   77    78   469.000  1.400
   77    79   469.000  1.400
   78    80   469.000  1.400
   78    82   450.000  1.364
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   300.000  1.725
   82    83   553.000  0.945
   79    84   450.000  1.364
   84    85   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    49   367.000  1.471
   44    53   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   62    63   553.000  0.945
   46    47   570.000  1.229
   46    57   490.000  1.335
   57    58   434.000  1.010
   57    59   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    75    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    57    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    48    60    75.00000  107.99600
   42    48    75    63.00000  111.10000
   42    48    62    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    60    61    80.00000  120.40000
   48    60    64    65.00000  115.47100
   48    75    67    58.35000  112.70000
   48    75    76    37.50000  110.70000
   48    75    40    58.35000  112.70000
   48    62    63    55.00000  108.50000
   60    64    65    60.00000  119.52600
   60    64    79    60.00000  119.52600
   64    60    61    75.00000  123.78400
   64    65    66    63.00000  120.00000
   64    65    67    70.00000  120.00000
   64    79    77    63.00000  120.00000
   64    79    84    70.00000  120.00000
   65    66    70    63.00000  120.00000
   65    66    71    70.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    75    70.00000  112.17500
   66    70    77    63.00000  120.00000
   66    70    88    63.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   70    77    78    63.00000  120.00000
   70    77    79    63.00000  120.00000
   70    88    86    63.00000  120.00000
   70    88    89    75.00000  120.00000
   77    78    80    63.00000  120.00000
   77    78    82    70.00000  120.00000
   77    79    84    70.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    86    63.00000  120.00000
   78    82    83    35.00000  113.00000
   80    86    87    35.00000  120.00000
   80    86    88    63.00000  120.00000
   86    80    81    35.00000  120.00000
   86    88    89    75.00000  120.00000
   88    70    77    63.00000  120.00000
   88    86    87    35.00000  120.00000
   82    78    80    70.00000  120.00000
   79    64    65    63.00000  120.00000
   79    77    78    63.00000  120.00000
   79    84    85    35.00000  113.00000
   71    66    70    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   67    65    66    70.00000  120.00000
   67    75    76    37.50000  110.70000
   67    75    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    48    60    63.00000  111.10000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    40    41    37.50000  110.70000
   75    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    75    76    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    49    75.00000  113.01200
   40    44    53    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   44    53    54    35.00000  109.50000
   44    53    55    35.00000  109.50000
   44    53    56    35.00000  109.50000
   49    44    45    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    49    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   62    48    60    90.00000  109.61100
   62    48    75    50.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    70.00000  107.85200
   46    57    58    35.00000  119.80000
   46    57    59    35.00000  119.80000
   57    46    47    80.00000  122.90000
   59    57    58    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    75   0.44750  1.0 1.0
   29    33    40    75  -0.17800 -1.0 2.0
   29    33    40    75   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    57   1.39750  1.0 1.0
   33    38    46    57  -0.07950 -1.0 2.0
   33    38    46    57  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    49   0.47100  1.0 1.0
   33    40    44    53   0.47100  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    75   0.62750  1.0 1.0
   34    33    40    75  -0.30950 -1.0 2.0
   34    33    40    75   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    75   0.56750  1.0 1.0
   38    33    40    75  -0.07550 -1.0 2.0
   38    33    40    75   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    48    60   0.65300  1.0 1.0
   38    42    48    60  -0.03850 -1.0 2.0
   38    42    48    60   0.33900  1.0 3.0
   38    42   -48    75   0.60050  1.0 1.0
   38    42   -48    75   0.05600 -1.0 2.0
   38    42   -48    75   0.26150  1.0 3.0
   38    42    48    62   0.55300  1.0 1.0
   38    42    48    62   1.25850 -1.0 2.0
   38    42    48    62  -0.23600  1.0 3.0
   38    46    57    58   2.45000 -1.0 2.0
   38    46    57    59   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    57   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    57   0.00000  1.0 1.0
   42    48    60    61   0.30150 -1.0 2.0
   42    48    60    64   0.65300  1.0 1.0
   42    48    60    64  -0.03850 -1.0 2.0
   42    48    60    64   0.33900  1.0 3.0
   42    48    75    67  -0.95700  1.0 1.0
   42    48    75    67  -0.18200 -1.0 2.0
   42    48    75    67   0.29450  1.0 3.0
   42    48    75    76  -0.11250  1.0 3.0
   42    48    75    40  -0.95700  1.0 1.0
   42    48    75    40  -0.18200 -1.0 2.0
   42    48    75    40   0.29450  1.0 3.0
   42    48    62    63   0.91850  1.0 1.0
   42    48    62    63   0.57950  1.0 3.0
   43    42    48    60   0.30150 -1.0 2.0
   43    42    48    75   0.30150 -1.0 2.0
   43    42    48    62   0.30150 -1.0 2.0
   48    60    64    65   2.26350  1.0 1.0
   48    60    64    65   0.76750 -1.0 2.0
   48    60    64    65   0.22500  1.0 3.0
   48    60    64    79   2.26350  1.0 1.0
   48    60    64    79   0.76750 -1.0 2.0
   48    60    64    79   0.22500  1.0 3.0
   48    75   -40    33   0.56750  1.0 1.0
   48    75   -40    33  -0.07550 -1.0 2.0
   48    75   -40    33   0.20000  1.0 3.0
   48    75    40    41   0.15000  1.0 3.0
   48    75    40    44   1.36600  1.0 1.0
   48    75    40    44  -0.11450 -1.0 2.0
   48    75    40    44   0.24250  1.0 3.0
   60    48    75    67  -0.95700  1.0 1.0
   60    48    75    67  -0.18200 -1.0 2.0
   60    48    75    67   0.29450  1.0 3.0
   60    48    75    76  -0.11250  1.0 3.0
   60    48    75    40  -0.95700  1.0 1.0
   60    48    75    40  -0.18200 -1.0 2.0
   60    48    75    40   0.29450  1.0 3.0
   60    48    62    63   0.91850  1.0 1.0
   60    48    62    63   0.57950  1.0 3.0
   60    64    65    66   3.62500 -1.0 2.0
   60    64   -65    67   3.62500 -1.0 2.0
   60    64    79    77   3.62500 -1.0 2.0
   60    64    79    84   3.62500 -1.0 2.0
   61    60    64    65   1.05000 -1.0 2.0
   61    60    64    79   1.05000 -1.0 2.0
   64    65    66    70   3.62500 -1.0 2.0
   64    65    66    71   3.62500 -1.0 2.0
   64    65    67    68   0.00000  1.0 1.0
   64    65    67    69   0.00000  1.0 1.0
   64    65    67    75   0.04150 -1.0 2.0
   64    79    84    85   0.84100 -1.0 2.0
   65    64    79    77   3.62500 -1.0 2.0
   65    64    79    84   3.62500 -1.0 2.0
   65    66   -70    77   3.62500 -1.0 2.0
   65    66    70    88   3.62500 -1.0 2.0
   65    66    71    72   0.00000  1.0 1.0
   65    66    71    73   0.00000  1.0 1.0
   65    66    71    74   0.00000  1.0 1.0
   65    67   -75    48  -0.03700  1.0 1.0
   65    67   -75    48   0.37200 -1.0 2.0
   65    67   -75    48  -0.47300  1.0 3.0
   65    67    75    76   0.43200  1.0 3.0
   65    67    75    40  -0.03700  1.0 1.0
   65    67    75    40   0.37200 -1.0 2.0
   65    67    75    40  -0.47300  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    75   0.04150 -1.0 2.0
   66    70    77    78   3.62500 -1.0 2.0
   66    70    77    79   3.62500 -1.0 2.0
   66    70    88    86   3.62500 -1.0 2.0
   66    70    88    89   3.62500 -1.0 2.0
   70    66    71    72   0.00000  1.0 1.0
   70    66    71    73   0.00000  1.0 1.0
   70    66    71    74   0.00000  1.0 1.0
   70    77    78    80   3.62500 -1.0 2.0
   70    77    78    82   3.62500 -1.0 2.0
   70    77   -79    64   3.62500 -1.0 2.0
   70    77    79    84   3.62500 -1.0 2.0
   77    70    88    86   3.62500 -1.0 2.0
   77    70    88    89   3.62500 -1.0 2.0
   77    78    80    81   3.62500 -1.0 2.0
   77    78   -80    86   3.62500 -1.0 2.0
   77    78    82    83   0.84100 -1.0 2.0
   77    79    84    85   0.84100 -1.0 2.0
   78    77    79    64   3.62500 -1.0 2.0
   78    77    79    84   3.62500 -1.0 2.0
   78    80    86    87   3.62500 -1.0 2.0
   78    80    86    88   3.62500 -1.0 2.0
   80    78    82    83   0.84100 -1.0 2.0
   80    86   -88    70   3.62500 -1.0 2.0
   80    86    88    89   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   81    80    86    88   3.62500 -1.0 2.0
   87    86    88    70   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   88    70   -77    78   3.62500 -1.0 2.0
   88    70    77    79   3.62500 -1.0 2.0
   82    78    80    81   3.62500 -1.0 2.0
   82    78    80    86   3.62500 -1.0 2.0
   79    64   -65    66   3.62500 -1.0 2.0
   79    64    65    67   3.62500 -1.0 2.0
   79    77    78    80   3.62500 -1.0 2.0
   79    77    78    82   3.62500 -1.0 2.0
   71    66    70    77   3.62500 -1.0 2.0
   71    66    70    88   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   67    65    66    71   3.62500 -1.0 2.0
   67    75    40    33   0.56750  1.0 1.0
   67    75    40    33  -0.07550 -1.0 2.0
   67    75    40    33   0.20000  1.0 3.0
   67    75    40    41   0.15000  1.0 3.0
   67    75    40    44   1.36600  1.0 1.0
   67    75    40    44  -0.11450 -1.0 2.0
   67    75    40    44   0.24250  1.0 3.0
   68    67    75    48   0.15000  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    40   0.15000  1.0 3.0
   69    67    75    48   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    40   0.15000  1.0 3.0
   75    48    60    61   0.30150 -1.0 2.0
   75    48   -60    64   0.05850 -1.0 2.0
   75    48   -60    64   0.17250  1.0 3.0
   75    48    62    63  -0.11600  1.0 1.0
   75    48    62    63  -0.09450 -1.0 2.0
   75    48    62    63   0.21250  1.0 3.0
   75    40    44    45   0.17350  1.0 3.0
   75    40    44    49   0.47100  1.0 1.0
   75    40    44    53   0.47100  1.0 1.0
   76    75    40    33   0.15000  1.0 3.0
   76    75    40    41   0.15000  1.0 3.0
   76    75    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.15000  1.0 3.0
   40    44    53    54   0.15000  1.0 3.0
   40    44    53    55   0.15000  1.0 3.0
   40    44    53    56   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    53   0.15000  1.0 3.0
   45    44    49    50   0.13050  1.0 3.0
   45    44    49    51   0.13050  1.0 3.0
   45    44    49    52   0.13050  1.0 3.0
   45    44    53    54   0.13050  1.0 3.0
   45    44    53    55   0.13050  1.0 3.0
   45    44    53    56   0.13050  1.0 3.0
   49    44    53    54   0.15000  1.0 3.0
   49    44    53    55   0.15000  1.0 3.0
   49    44    53    56   0.15000  1.0 3.0
   53    44    49    50   0.15000  1.0 3.0
   53    44    49    51   0.15000  1.0 3.0
   53    44    49    52   0.15000  1.0 3.0
   62    48    60    61   0.30150 -1.0 2.0
   62    48    60    64   0.65300  1.0 1.0
   62    48    60    64  -0.03850 -1.0 2.0
   62    48    60    64   0.33900  1.0 3.0
   62    48    75    67   0.86500  1.0 1.0
   62    48    75    67  -0.17500 -1.0 2.0
   62    48    75    67   0.20800  1.0 3.0
   62    48    75    76   0.23400  1.0 3.0
   62    48    75    40   0.86500  1.0 1.0
   62    48    75    40  -0.17500 -1.0 2.0
   62    48    75    40   0.20800  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    57    58   2.45000 -1.0 2.0
   47    46    57    59   2.45000 -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
   38    48    42    43  10.50000 -1.0 2.0
   48    64    60    61  10.50000 -1.0 2.0
   65    79    64    60   4.00000 -1.0 2.0
   66    67    65    64   4.00000 -1.0 2.0
   70    71    66    65   4.00000 -1.0 2.0
   77    88    70    66   4.00000 -1.0 2.0
   78    79    77    70   4.00000 -1.0 2.0
   80    82    78    77   4.00000 -1.0 2.0
   86    81    80    78   1.10000 -1.0 2.0
   88    87    86    80   1.10000 -1.0 2.0
   86    89    88    70   4.00000 -1.0 2.0
   77    84    79    64   4.00000 -1.0 2.0
   38    57    46    47  10.50000 -1.0 2.0
   59    46    57    58   1.00000 -1.0 2.0
END
