* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    245     456
    1     0 S   NP   _N1_     1    28.42237    98.30056   -23.02831
    2     1 S   H    _HN1     2     1.02779   110.50853  -108.69706
    3     1 S   H    _H1_     3     1.02957    64.68576    -7.48773
    4     1 S   H    _H2_     4     1.02836    43.85461   156.48503
    5     1 S   CT   _CA1     5     1.50150   135.88643    86.29846
    6     5 S   HC   _HA1     6     1.09576   105.19434   103.39253
    7     5 S   CO3  _C1_     7     1.53762   112.26391   -16.77174
    8     7 S   O2Z  _O11     8     1.26369   114.98714   -45.55382
    9     7 S   O2Z  _O12     9     1.26220   114.91352   133.33969
   10     5 S   CT   _CB1    10     1.53069   107.39481  -138.74552
   11    10 S   HC   HB11    11     1.09834   109.28829   -50.26494
   12    10 S   HC   HB12    12     1.09815   110.45776    66.25966
   13    10 S   CT   _CG1    13     1.53054   112.72502  -171.29457
   14    13 S   HC   HG11    14     1.09587   110.57432   -65.45589
   15    13 S   HC   HG12    15     1.09658   109.87060    53.79355
   16    13 S   C    _CD1    16     1.51855   112.11534   174.14281
   17    16 S   O    _OE1    17     1.22777   123.19785     4.29464
   18    16 S   N    _N2_    18     1.38557   111.89046  -175.77979
   19    18 S   H    _HN2    19     1.01583   119.16586     3.61747
   20    18 S   CT1  _CA2    20     1.45805   122.66248   177.29101
   21    20 S   HC   _HA2    21     1.09715   108.88196    26.39924
   22    20 S   C    _C2_    22     1.52902   106.78369   -90.99404
   23    22 S   O    _O2_    23     1.23003   122.75073   -35.40974
   24    20 S   CT   _CB2    32     1.53066   112.26664   149.71572
   25    24 S   HC   HB21    33     1.09532   110.36711    51.68995
   26    24 S   HC   HB22    34     1.09430   109.53971   170.63964
   27    22 S   N    _N3_    24     1.38606   112.76588   147.09053
   28    27 S   H    _HN3    25     1.01595   119.92088    -0.47064
   29    24 S   S    _SG2    35     1.82635   110.96754   -69.60113
   30    27 S   CT   _CA3    26     1.45476   122.29597   178.47043
   31    30 S   HC   HA31    27     1.09564   107.03814   -74.22845
   32    30 S   HC   HA32    28     1.09565   108.81341    41.87352
   33    29 S   CT   _C18    36     1.89611   100.36486   177.05776
   34    30 S   CO3  _C3_    29     1.52712   113.24460   163.42011
   35    34 S   O2Z  _O31    30     1.26326   115.32552   -53.66209
   36    34 S   O2Z  _O32    31     1.26423   115.18931   126.11421
   37    33 S   CM   _C13    37     1.52169   108.43437   145.87551
   38    33 S   OS1  _O35    64     1.43285   110.47842    23.36669
   39    37 S   CO4  _C14    38     1.49790   114.51565   123.34826
   40    39 S   O    _O42    39     1.22651   124.46067   144.26250
   41    37 S   CMA  _C12    46     1.36720   128.68270   -57.15541
   42    41 S   OM   _O33    47     1.26420   132.12222   176.54305
   43    38 S   CO1  _C19    65     1.43572   116.59208  -172.20721
   44    43 S   HC   _H3_    66     1.09589   110.11967    41.53017
   45    39 S   CM   _C15    40     1.47531   116.08511   -35.83098
   46    45 S   HC   _H14    41     1.08798   114.55249  -151.84619
   47    41 S   CM   _C11    48     1.46598   120.40116    -1.28968
   48    47 S   HC   _H13    49     1.09026   115.05942   105.23007
   49    43 S   CT   _C20    67     1.53401   107.00380   160.51001
   50    49 S   HC   _H4_    68     1.09665   110.11371    54.27225
   51    45 S   CMA  _C16    42     1.34169   125.57657    31.37174
   52    51 S   OM   _O41    43     1.26141   129.74081   178.12549
   53    47 S   CM   _C10    50     1.34403   124.82694   -74.16781
   54    53 S   HC   _H12    51     1.08560   120.38539    -0.80891
   55    49 S   CT   _C21    69     1.53096   110.91796   176.09776
   56    55 S   HC   _H5_    70     1.09663   110.23450    72.80581
   57    49 S   OH5  _O40    85     1.42927   110.19257   -62.69013
   58    57 S   HO   _H20    86     0.97280   108.27913   -50.27834
   59    33 S   CO4  _C17    44     1.55207   101.18128   -92.14679
   60    59 S   O    _O34    45     1.23718   120.22306    83.73870
   61    53 S   CA   _C9_    52     1.46781   123.64745   175.93172
   62    55 S   CT   _C22    71     1.53297   111.23685   -49.98317
   63    62 S   HC   _H6_    72     1.09647   108.55387   -72.02837
   64    55 S   OH5  _O39    83     1.42992   109.64980  -171.26538
   65    64 S   HO   _H19    84     0.97244   108.04010    60.48243
   66    61 S   CA   _C4_    53     1.40194   122.48151    42.59769
   67    66 S   HA   _H8_    54     1.08741   120.80303     0.30774
   68    62 S   CT   _C23    73     1.53385   110.72134    49.58077
   69    68 S   HC   _H7_    74     1.09824   110.33206    65.09262
   70    62 S   OH5  _O38    81     1.42650   109.75511   171.36273
   71    70 S   HO   _H18    82     0.97237   108.12277   -58.22941
   72    66 S   CA   _C5_    55     1.39646   120.42698  -179.68348
   73    72 S   HA   _H9_    56     1.08616   119.86388   179.36573
   74    43 S   OS1  _O36    75     1.42588   111.30193   -79.99109
   75    68 S   CT   _C24    76     1.53102   113.01903  -175.00025
   76    75 S   HC   _H15    77     1.09433   110.96314   -65.72901
   77    75 S   HC   _H16    78     1.09517   110.13286   173.43819
   78    72 S   CA   _C6_    57     1.39114   119.66015    -0.05595
   79    75 S   OH5  _O37    79     1.42335   110.63170    54.50945
   80    79 S   HO   _H17    80     0.97230   106.97728   173.54323
   81    78 S   CA   _C7_    58     1.39182   120.73151    -1.12622
   82    81 S   HA   _H10    59     1.08602   120.96142  -179.34210
   83    78 S   OH   _O43    62     1.36617   118.31422   178.71747
   84    83 S   HO   _H21    63     0.97588   108.39274  -165.70397
   85    61 S   CA   _C8_    60     1.40261   118.47121  -138.57498
   86    85 S   HA   _H11    61     1.08790   120.53438     0.52265
  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   9   5   4   3
  16   2   1   1  14  13   9   4   8   3  14   6   5   3   6   3
  12   7   3   2   8   3  13   7   4   1   1   1   9  12   7   3
   1   8   4   9   6   3   1   7   3   4   4   3   2   6   1   1
   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    51    59    60    41    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    45    51    52    59    60    41    42    47    38    43    44    49    74  
   35    36  
   36  
    0  
   39    40    45    46    51    59    60    41    42    47    48    53    38    43  
   43    44    49    50    55    68    74    57    39    41    51    59    60  
   40    45    46    51    52    59    41    42    47  
   45    46    51    41  
   42    47    48    53    54    61    45    59  
   47    48    53  
   44    49    50    55    56    62    68    69    74    75    64    57    58    59  
   49    50    55    68    74    57  
   46    51    52    59    60  
   51    52    59  
   48    53    54    61    66    85  
   53    54    61  
   50    55    56    62    63    68    74    70    64    65    57    58  
   55    56    62    74    64    57    58  
   52    59    60  
   59    60  
   54    61    66    67    72    81    85    86  
   61    66    85  
   56    62    63    68    69    74    75    70    71    64    65    57    58  
   62    63    68    70    64    65    57  
   58    62    64    74  
    0  
   60  
    0  
   66    67    72    73    78    81    82    85    86  
   63    68    69    74    75    76    77    79    70    71    64    65  
   68    69    74    75    70    71    64  
   65    68    70  
    0  
   67    72    73    78    81    85    86    83  
   72    73    78    85  
   69    74    75    76    77    79    80    70    71  
   74    75    76    77    79    70  
   71    74    75  
    0  
   73    78    81    82    85    83    84  
   78    81    83  
   75    76    77    79  
   76    77    79    80  
   77    79    80  
   79    80  
   81    82    85    86    83    84  
   80  
    0  
   82    85    86    83    84  
   85    86    83  
   84    85  
    0  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    59   317.000  1.522
   33    38   335.000  1.422
   37    39   320.000  1.462
   37    41   465.000  1.376
   39    40   570.000  1.229
   39    45   320.000  1.462
   45    46   340.000  1.080
   45    51   465.000  1.376
   51    52   745.000  1.250
   51    59   270.000  1.476
   59    60   570.000  1.229
   41    42   745.000  1.250
   41    47   465.000  1.376
   47    48   340.000  1.080
   47    53   549.000  1.340
   53    54   340.000  1.080
   53    61   320.000  1.460
   61    66   469.000  1.400
   61    85   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    81   469.000  1.400
   78    83   450.000  1.364
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    86   367.000  1.080
   83    84   553.000  0.945
   38    43   370.000  1.399
   43    44   360.000  1.097
   43    49   255.000  1.525
   43    74   370.000  1.399
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   355.000  1.421
   55    56   340.000  1.090
   55    62   268.000  1.529
   55    64   355.000  1.421
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   355.000  1.421
   68    69   340.000  1.090
   68    74   335.000  1.422
   68    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   355.000  1.421
   79    80   580.000  0.967
   70    71   580.000  0.967
   64    65   580.000  0.967
   57    58   580.000  0.967
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    59    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    65.00000  116.34900
   33    37    41    70.00000  124.00000
   33    59    51    65.00000  118.62400
   33    59    60    80.00000  120.40000
   33    38    43    90.00000  112.10700
   37    39    40    80.00000  123.72100
   37    39    45    65.00000  118.65900
   37    41    42    65.00000  137.10300
   37    41    47    70.00000  123.01800
   39    45    46    40.00000  117.72500
   39    45    51    60.00000  125.92000
   45    39    40    80.00000  123.72100
   45    51    52    65.00000  137.10300
   45    51    59    65.00000  114.61000
   51    45    46    40.00000  120.50800
   51    59    60    80.00000  120.81000
   59    33    37    70.00000  109.06800
   59    51    52    85.00000  116.28000
   41    37    39    60.00000  125.92000
   41    47    48    40.00000  120.50800
   41    47    53    70.00000  117.34000
   47    41    42    65.00000  137.10300
   47    53    54    35.00000  120.00000
   47    53    61    60.00000  123.20500
   53    47    48    35.00000  120.00000
   53    61    66    60.00000  120.93500
   53    61    85    60.00000  120.93500
   61    53    54    40.00000  117.26300
   61    66    67    35.00000  120.00000
   61    66    72    63.00000  120.00000
   61    85    81    63.00000  120.00000
   61    85    86    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    78    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    78    81    63.00000  120.00000
   72    78    83    70.00000  120.00000
   78    72    73    35.00000  120.00000
   78    81    82    35.00000  120.00000
   78    81    85    63.00000  120.00000
   78    83    84    35.00000  113.00000
   81    85    86    35.00000  120.00000
   85    61    66    63.00000  120.00000
   85    81    82    35.00000  120.00000
   83    78    81    70.00000  120.00000
   38    33    37    85.00000  110.90400
   38    33    59    90.00000  108.74100
   38    43    44    60.00000  105.75400
   38    43    49    90.00000  109.70700
   38    43    74   110.00000  113.16000
   43    49    50    45.00000  109.54000
   43    49    55    70.00000  111.10000
   43    49    57    90.00000  109.42000
   43    74    68    90.00000  112.10700
   49    43    44    45.00000  111.65000
   49    55    56    37.50000  110.70000
   49    55    62    58.35000  112.70000
   49    55    64    90.00000  111.45300
   49    57    58    65.00000  108.53500
   55    49    50    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    68    58.35000  112.70000
   55    62    70    90.00000  111.45300
   55    64    65    65.00000  108.53500
   62    55    56    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    74    95.00000  107.88500
   62    68    75    58.35000  112.70000
   62    70    71    65.00000  108.53500
   68    62    63    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    79    90.00000  111.45300
   74    43    44    60.00000  105.75400
   74    43    49    90.00000  109.70700
   74    68    69    55.00000  108.98800
   75    68    69    37.50000  110.70000
   75    68    74    95.00000  107.88500
   75    79    80    65.00000  108.53500
   77    75    76    33.00000  107.80000
   79    75    76    60.00000  109.39000
   79    75    77    60.00000  109.39000
   70    62    63    60.00000  109.39000
   70    62    68    90.00000  111.45300
   64    55    56    60.00000  109.39000
   64    55    62    90.00000  111.45300
   57    49    50    60.00000  109.39000
   57    49    55    90.00000  111.45300
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    37    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    59    51   0.65300  1.0 1.0
   29    33    59    51  -0.03850 -1.0 2.0
   29    33    59    51   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    38    43   0.14700  1.0 1.0
   29    33    38    43  -1.16150 -1.0 2.0
   29    33    38    43   0.48700  1.0 3.0
   33    37    39    40  -0.64400  1.0 1.0
   33    37    39    40   0.26850 -1.0 2.0
   33    37    39    45   1.50000 -1.0 2.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    38    43    44   0.37050  1.0 3.0
   33    38    43    49   0.06250  1.0 1.0
   33    38    43    49  -0.01100 -1.0 2.0
   33    38    43    49   0.28050  1.0 3.0
   33    38    43    74  -0.12700  1.0 1.0
   33    38    43    74  -1.16200 -1.0 2.0
   33    38    43    74   0.58800  1.0 3.0
   37    33    59    51   0.65300  1.0 1.0
   37    33    59    51  -0.03850 -1.0 2.0
   37    33    59    51   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    38    43  -0.77900  1.0 1.0
   37    33    38    43  -0.36900 -1.0 2.0
   37    33    38    43   0.40400  1.0 3.0
   37    39    45    46   0.93700 -1.0 2.0
   37    39   -45    51  -1.18350  1.0 1.0
   37    39   -45    51   1.45950 -1.0 2.0
   37    41    47    48   7.00000 -1.0 2.0
   37    41    47    53   7.00000 -1.0 2.0
   39    37    41    42   7.00000 -1.0 2.0
   39    37    41    47   7.00000 -1.0 2.0
   39    45    51    52   7.00000 -1.0 2.0
   39    45    51    59   7.00000 -1.0 2.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    51   1.00000 -1.0 2.0
   45    51   -59    33  -0.33500  1.0 1.0
   45    51   -59    33   1.06600 -1.0 2.0
   45    51   -59    33  -0.14000  1.0 3.0
   45    51    59    60   1.00000 -1.0 2.0
   46    45    51    52   7.00000 -1.0 2.0
   46    45    51    59   7.00000 -1.0 2.0
   52    51    59    33   0.32450 -1.0 2.0
   52    51    59    33   0.17400  1.0 3.0
   52    51    59    60  -0.11900  1.0 1.0
   52    51    59    60   0.76850 -1.0 2.0
   52    51    59    60   0.14100  1.0 3.0
   59    33   -37    39   0.09700  1.0 1.0
   59    33   -37    39   0.15600 -1.0 2.0
   59    33   -37    39  -0.50800  1.0 3.0
   59    33    37    41  -0.51250  1.0 1.0
   59    33    37    41  -0.88800 -1.0 2.0
   59    33    37    41   0.08850  1.0 3.0
   59    33    38    43  -1.11000  1.0 1.0
   59    33    38    43   0.50250 -1.0 2.0
   59    33    38    43   0.47450  1.0 3.0
   41    37    39    40   1.00000 -1.0 2.0
   41    37    39    45  -1.18350  1.0 1.0
   41    37    39    45   1.45950 -1.0 2.0
   41    47    53    54   7.00000 -1.0 2.0
   41    47    53    61   7.00000 -1.0 2.0
   42    41    47    48   7.00000 -1.0 2.0
   42    41    47    53   7.00000 -1.0 2.0
   47    53    61    66   0.15800  1.0 1.0
   47    53    61    66   1.85350 -1.0 2.0
   47    53    61    66  -0.48700  1.0 3.0
   47    53    61    85   0.15800  1.0 1.0
   47    53    61    85   1.85350 -1.0 2.0
   47    53    61    85  -0.48700  1.0 3.0
   48    47    53    54   7.00000 -1.0 2.0
   48    47    53    61   7.00000 -1.0 2.0
   53    61    66    67   3.62500 -1.0 2.0
   53    61    66    72   3.62500 -1.0 2.0
   53    61    85    81   3.62500 -1.0 2.0
   53    61    85    86   3.62500 -1.0 2.0
   54    53    61    66   0.56550  1.0 3.0
   54    53    61    85   0.56550  1.0 3.0
   61    66    72    73   3.62500 -1.0 2.0
   61    66    72    78   3.62500 -1.0 2.0
   66    61    85    81   3.62500 -1.0 2.0
   66    61    85    86   3.62500 -1.0 2.0
   66    72   -78    81   3.62500 -1.0 2.0
   66    72    78    83   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    78   3.62500 -1.0 2.0
   72    78    81    82   3.62500 -1.0 2.0
   72    78    81    85   3.62500 -1.0 2.0
   72    78    83    84   0.84100 -1.0 2.0
   73    72    78    81   3.62500 -1.0 2.0
   73    72    78    83   3.62500 -1.0 2.0
   78    81   -85    61   3.62500 -1.0 2.0
   78    81    85    86   3.62500 -1.0 2.0
   81    78    83    84   0.84100 -1.0 2.0
   82    81    85    61   3.62500 -1.0 2.0
   82    81    85    86   3.62500 -1.0 2.0
   85    61    66    67   3.62500 -1.0 2.0
   85    61   -66    72   3.62500 -1.0 2.0
   83    78    81    82   3.62500 -1.0 2.0
   83    78    81    85   3.62500 -1.0 2.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    41   0.39000  1.0 1.0
   38    33    37    41  -0.05800 -1.0 2.0
   38    33    37    41  -0.55150  1.0 3.0
   38    33    59    51   0.65300  1.0 1.0
   38    33    59    51  -0.03850 -1.0 2.0
   38    33    59    51   0.33900  1.0 3.0
   38    33    59    60   0.30150 -1.0 2.0
   38    43    49    50   0.23400  1.0 3.0
   38    43    49    55   0.62750  1.0 1.0
   38    43    49    55  -0.30950 -1.0 2.0
   38    43    49    55   0.27300  1.0 3.0
   38    43    49    57   1.51850  1.0 1.0
   38    43    74    68  -0.70400  1.0 1.0
   38    43    74    68  -0.90350 -1.0 2.0
   43    49    55    56   0.15000  1.0 3.0
   43    49    55    62   0.56750  1.0 1.0
   43    49    55    62  -0.07550 -1.0 2.0
   43    49    55    62   0.20000  1.0 3.0
   43    49    55    64  -0.47750  1.0 1.0
   43    49    57    58   0.29150  1.0 1.0
   43    49    57    58  -0.28350 -1.0 2.0
   43    49    57    58   0.43600  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    55   0.15000  1.0 3.0
   44    43    49    57   0.23400  1.0 3.0
   44    43    74    68   0.37050  1.0 3.0
   49    43    74    68   0.06250  1.0 1.0
   49    43    74    68  -0.01100 -1.0 2.0
   49    43    74    68   0.28050  1.0 3.0
   49    55    62    63   0.15000  1.0 3.0
   49    55   -62    68   0.56750  1.0 1.0
   49    55   -62    68  -0.07550 -1.0 2.0
   49    55   -62    68   0.20000  1.0 3.0
   49    55    62    70  -0.47750  1.0 1.0
   49    55    64    65   0.29150  1.0 1.0
   49    55    64    65  -0.28350 -1.0 2.0
   49    55    64    65   0.43600  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    62   0.15000  1.0 3.0
   50    49    55    64   0.23400  1.0 3.0
   50    49    57    58   0.19450  1.0 3.0
   55    49    57    58   0.29150  1.0 1.0
   55    49    57    58  -0.28350 -1.0 2.0
   55    49    57    58   0.43600  1.0 3.0
   55    62    68    69   0.15000  1.0 3.0
   55    62    68    74   0.62750  1.0 1.0
   55    62    68    74  -0.30950 -1.0 2.0
   55    62    68    74   0.27300  1.0 3.0
   55    62    68    75   0.56750  1.0 1.0
   55    62    68    75  -0.07550 -1.0 2.0
   55    62    68    75   0.20000  1.0 3.0
   55    62    70    71   0.29150  1.0 1.0
   55    62    70    71  -0.28350 -1.0 2.0
   55    62    70    71   0.43600  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    68   0.15000  1.0 3.0
   56    55    62    70   0.23400  1.0 3.0
   56    55    64    65   0.19450  1.0 3.0
   62    55    64    65   0.29150  1.0 1.0
   62    55    64    65  -0.28350 -1.0 2.0
   62    55    64    65   0.43600  1.0 3.0
   62    68   -74    43   0.06250  1.0 1.0
   62    68   -74    43  -0.01100 -1.0 2.0
   62    68   -74    43   0.28050  1.0 3.0
   62    68    75    76   0.15000  1.0 3.0
   62    68    75    77   0.15000  1.0 3.0
   62    68    75    79  -0.47750  1.0 1.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    74   0.23400  1.0 3.0
   63    62    68    75   0.15000  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71   0.29150  1.0 1.0
   68    62    70    71  -0.28350 -1.0 2.0
   68    62    70    71   0.43600  1.0 3.0
   68    75    79    80   0.29150  1.0 1.0
   68    75    79    80  -0.28350 -1.0 2.0
   68    75    79    80   0.43600  1.0 3.0
   69    68    74    43   0.37050  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    79   0.23400  1.0 3.0
   74    43    49    50   0.23400  1.0 3.0
   74    43   -49    55   0.62750  1.0 1.0
   74    43   -49    55  -0.30950 -1.0 2.0
   74    43   -49    55   0.27300  1.0 3.0
   74    43    49    57   1.51850  1.0 1.0
   74    68    75    76   0.23400  1.0 3.0
   74    68    75    77   0.23400  1.0 3.0
   74    68    75    79   1.51850  1.0 1.0
   75    68    74    43   0.06250  1.0 1.0
   75    68    74    43  -0.01100 -1.0 2.0
   75    68    74    43   0.28050  1.0 3.0
   76    75    79    80   0.19450  1.0 3.0
   77    75    79    80   0.19450  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    74   1.51850  1.0 1.0
   70    62    68    75  -0.47750  1.0 1.0
   64    55    62    63   0.23400  1.0 3.0
   64    55    62    68  -0.47750  1.0 1.0
   64    55    62    70   3.77950  1.0 1.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    62  -0.47750  1.0 1.0
   57    49    55    64   3.77950  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    41   1.10000 -1.0 2.0
   37    45    39    40  10.50000 -1.0 2.0
   39    46    45    51   1.10000 -1.0 2.0
   59    52    51    45   1.10000 -1.0 2.0
   33    51    59    60  10.50000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   41    48    47    53  15.00000 -1.0 2.0
   61    54    53    47  15.00000 -1.0 2.0
   66    85    61    53   4.00000 -1.0 2.0
   72    67    66    61   1.10000 -1.0 2.0
   78    73    72    66   1.10000 -1.0 2.0
   81    83    78    72   4.00000 -1.0 2.0
   85    82    81    78   1.10000 -1.0 2.0
   81    86    85    61   1.10000 -1.0 2.0
END
