* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    170    252     496
    1     0 S   NP   _N1_     1    30.33320    94.98858   -27.55247
    2     1 S   H    _HN1     2     1.02812   129.32903  -103.03501
    3     1 S   H    _H1_     3     1.02974    82.77269     4.54877
    4     1 S   H    _H2_     4     1.02813    27.56043  -147.85751
    5     1 S   CT   _CA1     5     1.50204   109.20473   113.72441
    6     5 S   HC   _HA1     6     1.09562   105.31953    88.64210
    7     5 S   CO3  _C1_     7     1.53757   112.47184   -31.79674
    8     7 S   O2Z  _O11     8     1.26367   115.04563   -43.43684
    9     7 S   O2Z  _O12     9     1.26237   114.93978   135.77355
   10     5 S   CT   _CB1    10     1.52882   107.10736  -153.43578
   11    10 S   HC   HB11    11     1.09792   109.19106   -51.01603
   12    10 S   HC   HB12    12     1.09681   110.15195    65.47412
   13    10 S   CT   _CG1    13     1.52883   113.32767  -172.11893
   14    13 S   HC   HG11    14     1.09567   110.70756   -63.48165
   15    13 S   HC   HG12    15     1.09637   109.98014    56.05641
   16    13 S   C    _CD1    16     1.51780   111.64743   176.45193
   17    16 S   O    _OE1    17     1.22728   123.17331     4.33016
   18    16 S   N    _N2_    18     1.38494   111.96211  -175.97348
   19    18 S   H    _HN2    19     1.01601   119.06491     0.45800
   20    18 S   CT1  _CA2    20     1.46085   123.14068   178.03776
   21    20 S   HC   _HA2    21     1.09561   109.34356    -9.27280
   22    20 S   C    _C2_    22     1.53467   108.61007  -124.18221
   23    22 S   O    _O2_    23     1.23043   122.28200  -149.81210
   24    20 S   CT   _CB2    32     1.53225   111.74478   113.39557
   25    24 S   HC   HB21    33     1.09701   109.20022    59.40963
   26    24 S   HC   HB22    34     1.09439   111.39772   175.85282
   27    22 S   N    _N3_    24     1.38342   113.58020    37.79590
   28    27 S   H    _HN3    25     1.01641   119.52294    -3.53701
   29    24 S   S    _SG2    35     1.83056   115.15332   -59.77658
   30    27 S   CT   _CA3    26     1.45289   123.11741   176.93644
   31    30 S   HC   HA31    27     1.09551   107.48971   -64.94154
   32    30 S   HC   HA32    28     1.09559   107.99123    51.47538
   33    29 S   CT   _C25    36     1.84643   102.22467   -62.72928
   34    33 S   HC   _H3_    37     1.09415   107.54424    58.19525
   35    30 S   CO3  _C3_    29     1.52929   114.13724   173.50393
   36    35 S   O2Z  _O31    30     1.26360   116.05415    -0.35443
   37    35 S   O2Z  _O32    31     1.26431   114.40748   179.71676
   38    33 S   CT   _C22    38     1.52973   110.89425   -60.20915
   39    38 S   HC   _H52    39     1.09520   112.27146   -53.79285
   40    38 S   HC   _H53    40     1.09460   111.02508  -174.44713
   41    38 S   HC   _H54    41     1.09439   111.40389    67.49437
   42    33 S   CT   _C24    42     1.54904   108.47623   174.62196
   43    42 S   HC   _H57    43     1.10036   109.90684   -45.50198
   44    42 S   CO4  _C12    44     1.52525   109.09868  -160.97837
   45    44 S   O    _O25    45     1.22375   124.65482   -87.38712
   46    42 S   CT   _C23    84     1.53626   114.81241    75.78249
   47    46 S   HC   _H55    85     1.09620   111.60760    71.55729
   48    46 S   HC   _H56    86     1.09514   110.83910   -50.33722
   49    44 S   OS   _O28    46     1.36581   109.66487    92.03463
   50    46 S   OS   _O29    87     1.44053   108.26617  -168.72254
   51    49 S   CT   _C18    47     1.44376   117.84061  -179.83687
   52    51 S   HC   _H42    48     1.09813   108.01950    34.50315
   53    50 S   CO4  _C11    88     1.36241   115.65406  -179.38324
   54    53 S   O    _O24    89     1.22325   126.24125    -0.17359
   55    51 S   CT   _C14    49     1.55899   111.57327   -79.37491
   56    55 S   HC   _H37    50     1.09819   107.54865   177.56635
   57    55 S   HC   _H38    51     1.09824   108.44694    64.33627
   58    51 S   CT   _C17    65     1.55469   109.37316   149.87628
   59    58 S   HC   _H41    66     1.09982   107.93972   171.18835
   60    53 S   CT   _C21    90     1.49838   109.58033   179.41216
   61    60 S   HC   _H49    91     1.09276   109.78064   -65.05742
   62    60 S   HC   _H50    92     1.09375   109.36116   175.67134
   63    60 S   HC   _H51    93     1.09307   109.89397    56.81759
   64    55 S   CM   _C7_    52     1.51668   118.21077   -57.24075
   65    58 S   CM   _C8_    67     1.50452   115.37463   -70.80976
   66    64 S   CM   _C5_    53     1.35099   120.15289  -110.10314
   67    66 S   HC   _H32    54     1.08983   118.26688    -3.28849
   68    65 S   CO4  _C9_    68     1.47911   108.57485   153.61145
   69    68 S   O    _O23    69     1.21741   127.30316   166.24437
   70    65 S   CM   _C10    71     1.33681   131.29290   -24.48368
   71    70 S   HC   _H33    72     1.08361   121.96305    -1.32441
   72    70 S   HC   _H34    73     1.08587   121.46951   178.66851
   73    64 S   CT   _C20    80     1.50431   115.74848    69.07819
   74    73 S   HC   _H46    81     1.09262   111.16533   -75.36888
   75    73 S   HC   _H47    82     1.09239   113.10712   162.93546
   76    73 S   HC   _H48    83     1.09461   109.85172    44.77272
   77    66 S   CT   _C16    55     1.51331   126.31262   164.04619
   78    77 S   HC   _H40    56     1.09299   111.97356    26.21925
   79    92 S   OS   _O26    70     1.43906   106.99638   114.85417
   80    77 S   CT   _C13    57     1.55371   110.74300   -96.44860
   81    80 S   HC   _H35    58     1.09906   109.58634   -74.88238
   82    80 S   HC   _H36    59     1.09723   109.87583   170.66091
   83    77 S   OH   _O27    78     1.42535   108.03252   143.77683
   84    83 S   HO   _H59    79     0.97238   107.41950   179.09216
   85    80 S   CM   _C6_    60     1.52041   111.28933    47.75434
   86    85 S   CM   _C4_    61     1.34857   117.73323   -85.85354
   87    86 S   HC   _H31    62     1.09081   117.33222   -11.03358
   88    85 S   CT   _C19    74     1.50005   115.77625    86.49715
   89    88 S   HC   _H43    75     1.09375   110.91124   -54.36372
   90    88 S   HC   _H44    76     1.09172   113.15724  -175.72639
   91    88 S   HC   _H45    77     1.09515   109.58795    64.80052
   92    86 S   CT   _C15    63     1.49776   128.14276   158.57408
   93    92 S   HC   _H39    64     1.09453   112.19002    -2.98236
  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
  14   8   2   1   1   7   3   2   1  10   7  10   3   7   3   2
  10   6  16   8   5   4  14   5   4  14   7   3   2   1   1  10
   9  13   5   8   3   4   1   1   4   2   1   1   9   6   5  12
   5   4   2   1   8   7   3   4   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    51    46    47    48    50    53  
   44    45    49    46    47    48    50  
   45    49    51    52    55    58    46    47    48    50  
   49    51    46  
   47    48    50    53    54    60    49  
   48    50    53  
   50    53  
   51    52    55    56    57    64    92    58    59    65  
   53    54    60    61    62    63  
   52    55    56    57    64    66    86    92    93    58    59    65    68    79    70    73  
   55    56    57    64    92    58    59    65  
   54    60    61    62    63  
   60    61    62    63  
   56    57    64    66    67    77    92    58    59    65    73    74    75    76  
   57    64    66    58    73  
   64    66    58    73  
   59    65    68    69    79    70    71    72    64    85    86    87    92    93  
   65    68    79    70    86    92    93  
   61    62    63  
   62    63  
   63  
    0  
   66    67    77    78    80    83    73    74    75    76  
   68    69    79    70    71    72    86    92    93  
   67    77    78    80    81    82    85    83    84    73    74    75    76  
   77    78    80    83    73  
   69    79    70    71    72    86    92    93  
   79    70    92  
   71    72    79    92  
   72  
    0  
   74    75    76    77  
   75    76  
   76  
    0  
   78    80    81    82    85    86    88    83    84  
   80    81    82    85    83    84  
   85    86    87    92    93  
   81    82    85    86    87    92    88    89    90    91    83    84  
   82    85    86    88    83  
   85    86    88    83  
   84    85  
    0  
   86    87    92    93    88    89    90    91  
   87    92    93    88    89    90    91  
   92    93    88  
   89    90    91    92  
   90    91  
   91  
    0  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   86   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   93   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   317.000  1.510
   64    66   549.000  1.340
   64    73   317.000  1.510
   66    67   340.000  1.080
   66    77   317.000  1.510
   77    78   340.000  1.090
   77    80   268.000  1.529
   77    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   317.000  1.510
   85    86   549.000  1.340
   85    88   317.000  1.510
   86    87   340.000  1.080
   86    92   317.000  1.510
   92    93   340.000  1.090
   92    58   268.000  1.529
   92    79   320.000  1.410
   58    59   340.000  1.090
   58    65   317.000  1.510
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    79   214.000  1.327
   70    71   340.000  1.080
   70    72   340.000  1.080
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   83    84   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    53   214.000  1.327
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    51    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    51    52    35.00000  109.50000
   49    51    55    50.00000  109.50000
   49    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    64    70.00000  112.02700
   51    58    92    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    65    70.00000  112.02700
   55    51    52    37.50000  110.70000
   55    64    66    70.00000  124.00000
   55    64    73    65.00000  117.92700
   57    55    56    33.00000  107.80000
   64    55    56    35.00000  109.50000
   64    55    57    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    77    70.00000  124.00000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    76    35.00000  109.50000
   66    77    78    35.00000  109.50000
   66    77    80    70.00000  112.02700
   66    77    83    90.00000  110.39200
   77    66    67    35.00000  117.00000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    85    70.00000  112.02700
   77    83    84    55.00000  108.50000
   80    77    78    37.50000  110.70000
   80    85    86    70.00000  124.00000
   80    85    88    65.00000  117.92700
   82    80    81    33.00000  107.80000
   85    80    81    35.00000  109.50000
   85    80    82    35.00000  109.50000
   85    86    87    35.00000  120.00000
   85    86    92    70.00000  124.00000
   85    88    89    35.00000  109.50000
   85    88    90    35.00000  109.50000
   85    88    91    35.00000  109.50000
   86    92    93    35.00000  109.50000
   86    92    58    70.00000  112.02700
   86    92    79    85.00000  110.90400
   92    86    87    35.00000  117.00000
   92    58    59    37.50000  110.70000
   92    58    65    70.00000  112.02700
   92    79    68    83.00000  116.90000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    92    93    37.50000  110.70000
   58    65    68    65.00000  116.34900
   58    65    70    70.00000  124.00000
   65    58    59    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    79    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   79    92    93    35.00000  109.50000
   79    92    58    50.00000  109.50000
   79    68    69    83.00000  123.40000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   88    85    86    70.00000  124.00000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    80    50.00000  109.50000
   73    64    66    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    53    83.00000  116.90000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
   50    53    54    83.00000  123.40000
   50    53    60    81.00000  111.40000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   60    53    54    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   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   0.32350  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.62750  1.0 1.0
   33    42    46    50  -0.30950 -1.0 2.0
   33    42    46    50   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    51   1.63150  1.0 1.0
   42    44    49    51   2.92000 -1.0 2.0
   42    46    50    53  -0.25900  1.0 1.0
   42    46    50    53  -0.47000 -1.0 2.0
   42    46    50    53   0.11750  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    51    52   0.08050  1.0 3.0
   44    49    51    55  -0.25900  1.0 1.0
   44    49    51    55  -0.47000 -1.0 2.0
   44    49    51    55   0.11750  1.0 3.0
   44    49    51    58  -0.25900  1.0 1.0
   44    49    51    58  -0.47000 -1.0 2.0
   44    49    51    58   0.11750  1.0 3.0
   45    44    49    51   3.00000 -1.0 2.0
   49    51    55    56   0.23400  1.0 3.0
   49    51    55    57   0.23400  1.0 3.0
   49    51    55    64   0.61850  1.0 1.0
   49    51    55    64  -0.22750 -1.0 2.0
   49    51    55    64   0.15300  1.0 3.0
   49    51    58    92   0.62750  1.0 1.0
   49    51    58    92  -0.30950 -1.0 2.0
   49    51    58    92   0.27300  1.0 3.0
   49    51    58    59   0.23400  1.0 3.0
   49    51    58    65   0.61850  1.0 1.0
   49    51    58    65  -0.22750 -1.0 2.0
   49    51    58    65   0.15300  1.0 3.0
   51    55    64    66   0.09850  1.0 1.0
   51    55    64    66   0.15250 -1.0 2.0
   51    55    64    66  -0.50650  1.0 3.0
   51    55    64    73   0.46850  1.0 1.0
   51    55    64    73   0.08550 -1.0 2.0
   51    55    64    73   0.09800  1.0 3.0
   51    58    65    68   0.09700  1.0 1.0
   51    58    65    68   0.15600 -1.0 2.0
   51    58    65    68  -0.50800  1.0 3.0
   51    58    65    70   0.09850  1.0 1.0
   51    58    65    70   0.15250 -1.0 2.0
   51    58    65    70  -0.50650  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    64   0.15000  1.0 3.0
   52    51    58    92   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    65   0.15000  1.0 3.0
   55    51    58    92   0.56750  1.0 1.0
   55    51    58    92  -0.07550 -1.0 2.0
   55    51    58    92   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    65   0.34400  1.0 1.0
   55    51    58    65   0.09450 -1.0 2.0
   55    51    58    65   0.11100  1.0 3.0
   55    64    66    67   7.00000 -1.0 2.0
   55    64    66    77   7.00000 -1.0 2.0
   55    64    73    74   0.34800  1.0 3.0
   55    64    73    75   0.34800  1.0 3.0
   55    64    73    76   0.34800  1.0 3.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    73   0.34800  1.0 3.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    73   0.34800  1.0 3.0
   64    66    77    78   0.00000  1.0 1.0
   64    66    77    80   0.09850  1.0 1.0
   64    66    77    80   0.15250 -1.0 2.0
   64    66    77    80  -0.50650  1.0 3.0
   64    66    77    83   0.67800  1.0 1.0
   64    66    77    83   0.47050 -1.0 2.0
   64    66    77    83  -0.62500  1.0 3.0
   66    64    73    74   0.00000  1.0 1.0
   66    64    73    75   0.00000  1.0 1.0
   66    64    73    76   0.00000  1.0 1.0
   66    77    80    81   0.15000  1.0 3.0
   66    77    80    82   0.15000  1.0 3.0
   66    77    80    85   0.31000  1.0 1.0
   66    77    80    85   0.14700 -1.0 2.0
   66    77    80    85   0.07550  1.0 3.0
   66    77    83    84  -0.07800  1.0 1.0
   66    77    83    84  -0.21500 -1.0 2.0
   66    77    83    84  -0.03150  1.0 3.0
   67    66    77    78   0.33100  1.0 3.0
   67    66    77    80   0.00000  1.0 1.0
   67    66    77    83   0.00000  1.0 1.0
   77    80    85    86   0.09850  1.0 1.0
   77    80    85    86   0.15250 -1.0 2.0
   77    80    85    86  -0.50650  1.0 3.0
   77    80    85    88   0.46850  1.0 1.0
   77    80    85    88   0.08550 -1.0 2.0
   77    80    85    88   0.09800  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    85   0.15000  1.0 3.0
   78    77    83    84   0.19450  1.0 3.0
   80    77    83    84  -0.11600  1.0 1.0
   80    77    83    84  -0.09450 -1.0 2.0
   80    77    83    84   0.21250  1.0 3.0
   80    85    86    87   7.00000 -1.0 2.0
   80    85    86    92   7.00000 -1.0 2.0
   80    85    88    89   0.34800  1.0 3.0
   80    85    88    90   0.34800  1.0 3.0
   80    85    88    91   0.34800  1.0 3.0
   81    80    85    86   0.00000  1.0 1.0
   81    80    85    88   0.34800  1.0 3.0
   82    80    85    86   0.00000  1.0 1.0
   82    80    85    88   0.34800  1.0 3.0
   85    86    92    93   0.00000  1.0 1.0
   85    86    92    58   0.09850  1.0 1.0
   85    86    92    58   0.15250 -1.0 2.0
   85    86    92    58  -0.50650  1.0 3.0
   85    86    92    79   0.39000  1.0 1.0
   85    86    92    79  -0.05800 -1.0 2.0
   85    86    92    79  -0.55150  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   86    85    88    91   0.00000  1.0 1.0
   86    92    58    51   0.34400  1.0 1.0
   86    92    58    51   0.09450 -1.0 2.0
   86    92    58    51   0.11100  1.0 3.0
   86    92    58    59   0.15000  1.0 3.0
   86    92    58    65   0.31000  1.0 1.0
   86    92    58    65   0.14700 -1.0 2.0
   86    92    58    65   0.07550  1.0 3.0
   86    92    79    68  -0.82050  1.0 1.0
   86    92    79    68   0.00600 -1.0 2.0
   86    92    79    68   0.04400  1.0 3.0
   87    86    92    93   0.33100  1.0 3.0
   87    86    92    58   0.00000  1.0 1.0
   87    86    92    79   0.00000  1.0 1.0
   92    58   -65    68   0.09700  1.0 1.0
   92    58   -65    68   0.15600 -1.0 2.0
   92    58   -65    68  -0.50800  1.0 3.0
   92    58    65    70   0.09850  1.0 1.0
   92    58    65    70   0.15250 -1.0 2.0
   92    58    65    70  -0.50650  1.0 3.0
   93    92    58    51   0.15000  1.0 3.0
   93    92    58    59   0.15000  1.0 3.0
   93    92    58    65   0.15000  1.0 3.0
   93    92    79    68   0.08050  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    64   0.34400  1.0 1.0
   58    51    55    64   0.09450 -1.0 2.0
   58    51    55    64   0.11100  1.0 3.0
   58    92   -79    68  -0.25900  1.0 1.0
   58    92   -79    68  -0.47000 -1.0 2.0
   58    92   -79    68   0.11750  1.0 3.0
   58    65    68    69  -0.64400  1.0 1.0
   58    65    68    69   0.26850 -1.0 2.0
   58    65   -68    79  -0.15000  1.0 1.0
   58    65   -68    79   0.89550 -1.0 2.0
   58    65   -68    79  -0.06900  1.0 3.0
   58    65    70    71   7.00000 -1.0 2.0
   58    65    70    72   7.00000 -1.0 2.0
   59    58    65    68   0.15000  1.0 3.0
   59    58    65    70   0.00000  1.0 1.0
   65    68   -79    92   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   69    68    79    92   3.00000 -1.0 2.0
   79    92    58    51   0.62750  1.0 1.0
   79    92    58    51  -0.30950 -1.0 2.0
   79    92    58    51   0.27300  1.0 3.0
   79    92    58    59   0.23400  1.0 3.0
   79    92   -58    65   0.61850  1.0 1.0
   79    92   -58    65  -0.22750 -1.0 2.0
   79    92   -58    65   0.15300  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    79  -0.56150  1.0 1.0
   70    65    68    79   2.19150 -1.0 2.0
   88    85    86    87   7.00000 -1.0 2.0
   88    85    86    92   7.00000 -1.0 2.0
   83    77    80    81   0.23400  1.0 3.0
   83    77    80    82   0.23400  1.0 3.0
   83    77    80    85   1.05650  1.0 1.0
   83    77    80    85   0.15600 -1.0 2.0
   83    77    80    85   0.53150  1.0 3.0
   73    64    66    67   7.00000 -1.0 2.0
   73    64    66    77   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   46    50    53    54   3.00000 -1.0 2.0
   46    50    53    60   1.63150  1.0 1.0
   46    50    53    60   2.92000 -1.0 2.0
   47    46    50    53   0.08050  1.0 3.0
   48    46    50    53   0.08050  1.0 3.0
   50    53    60    61   0.00000  1.0 1.0
   50    53    60    62   0.00000  1.0 1.0
   50    53    60    63   0.00000  1.0 1.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   54    53    60    63   0.00000  1.0 1.0
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
   42    49    44    45  10.50000 -1.0 2.0
   55    73    64    66   1.10000 -1.0 2.0
   77    67    66    64   1.10000 -1.0 2.0
   80    88    85    86   1.10000 -1.0 2.0
   92    87    86    85   1.10000 -1.0 2.0
   58    68    65    70   1.10000 -1.0 2.0
   65    79    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   50    60    53    54  10.50000 -1.0 2.0
END
