* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    143    202     409
    1     0 S   NP   _N1_     1    28.67440    97.14684   -22.57590
    2     1 S   H    _HN1     2     1.02788    99.47034   -86.24891
    3     1 S   H    _H1_     3     1.02949    68.16832    19.84076
    4     1 S   H    _H2_     4     1.02829    44.99434   167.87849
    5     1 S   CT   _CA1     5     1.50117   146.18342   114.25989
    6     5 S   HC   _HA1     6     1.09573   105.19412    96.75896
    7     5 S   CO3  _C1_     7     1.53795   112.42208   -23.47294
    8     7 S   O2Z  _O11     8     1.26375   115.01696   -43.35585
    9     7 S   O2Z  _O12     9     1.26238   114.94346   135.73524
   10     5 S   CT   _CB1    10     1.53079   107.41447  -145.27580
   11    10 S   HC   HB11    11     1.09834   109.38588   -49.65271
   12    10 S   HC   HB12    12     1.09812   110.44318    66.95360
   13    10 S   CT   _CG1    13     1.52996   112.61064  -170.62235
   14    13 S   HC   HG11    14     1.09583   110.62345   -65.25482
   15    13 S   HC   HG12    15     1.09668   109.79748    53.97937
   16    13 S   C    _CD1    16     1.51809   112.20712   174.43296
   17    16 S   O    _OE1    17     1.22738   123.27759     6.46041
   18    16 S   N    _N2_    18     1.38657   111.69171  -173.58228
   19    18 S   H    _HN2    19     1.01579   118.95672     1.82649
   20    18 S   CT1  _CA2    20     1.46215   123.40463   178.05258
   21    20 S   HC   _HA2    21     1.09736   109.31286     4.30052
   22    20 S   C    _C2_    22     1.53571   108.78063  -111.25645
   23    22 S   O    _O2_    23     1.23067   122.26902  -148.40090
   24    20 S   CT   _CB2    32     1.53328   111.57317   126.21610
   25    24 S   HC   HB21    33     1.09592   110.04872    57.02279
   26    24 S   HC   HB22    34     1.09477   110.03359   176.07494
   27    22 S   N    _N3_    24     1.38323   113.76543    39.07557
   28    27 S   H    _HN3    25     1.01574   119.59383    -3.33701
   29    24 S   S    _SG2    35     1.82797   111.49016   -63.83765
   30    27 S   CT   _CA3    26     1.45290   123.22693   177.11853
   31    30 S   HC   HA31    27     1.09549   107.51008   -64.60441
   32    30 S   HC   HA32    28     1.09556   107.98783    51.83915
   33    29 S   CT   _C11    36     1.84262    99.48382   174.21968
   34    33 S   HC   _H3_    37     1.09575   104.98231   -49.35101
   35    30 S   CO3  _C3_    29     1.52963   114.07174   173.82721
   36    35 S   O2Z  _O31    30     1.26377   116.06450    -0.84186
   37    35 S   O2Z  _O32    31     1.26427   114.41704   179.22494
   38    33 S   CA   _C12    38     1.52122   112.53176    69.17926
   39    33 S   CM   _C10    58     1.51482   108.29745  -166.31106
   40    39 S   HC   _H17    59     1.09092   115.61535   -56.66328
   41    38 S   CA   _C13    39     1.40734   119.17377  -121.82707
   42    41 S   HA   _H18    40     1.08656   118.18392     0.05935
   43    39 S   CMA  _C9_    60     1.35491   126.63919   122.91612
   44    43 S   OM   _O37    61     1.26767   125.84978     1.32471
   45    41 S   CA   _C14    41     1.39747   120.99237  -179.93147
   46    43 S   OS   _O33    62     1.42109   109.58834  -179.65282
   47    45 S   CA   _C15    42     1.39929   118.64428     0.22728
   48    45 S   OS   _O36    53     1.37056   125.21777  -179.78150
   49    46 S   CT   _C8_    63     1.43604   114.43543   149.84493
   50    49 S   HC   _H15    64     1.09474   109.09905    68.64919
   51    49 S   HC   _H16    65     1.09519   109.27373   -51.82508
   52    47 S   CA   _C16    43     1.40076   121.66277     0.14402
   53    47 S   OH   _O35    51     1.37389   118.63075  -179.93744
   54    53 S   HO   _H23    52     0.97362   107.30278  -179.78060
   55    48 S   CT   _C19    54     1.42228   117.15118    -0.25023
   56    55 S   HC   _H24    55     1.09430   107.74142  -179.90309
   57    55 S   HC   _H25    56     1.09500   111.14174    62.38426
   58    55 S   HC   _H26    57     1.09499   111.15145   -62.18309
   59    49 S   CT   _C7_    66     1.52537   107.04686  -171.67912
   60    59 S   HC   _H13    67     1.09737   110.27243    58.19734
   61    59 S   HC   _H14    68     1.09736   110.19364   -59.94252
   62    38 S   CA   _C17    44     1.40734   121.78496    58.87642
   63    62 S   HA   _H19    45     1.08609   118.47530    -0.08156
   64    52 S   OS   _O34    46     1.37108   115.57358   179.85463
   65    59 S   NP   _N4_    69     1.53746   114.19570   179.13770
   66    64 S   CT   _C18    47     1.42276   116.95522   179.57849
   67    66 S   HC   _H20    48     1.09428   107.73170  -179.69353
   68    66 S   HC   _H21    49     1.09498   111.12647    62.58823
   69    66 S   HC   _H22    50     1.09501   111.14820   -61.96202
   70    65 S   CT   _C4_    70     1.52451   111.37582   -61.88139
   71    70 S   HC   _H4_    71     1.09376   108.45895   -52.74988
   72    70 S   HC   _H5_    72     1.09278   109.01820    68.07188
   73    70 S   HC   _H6_    73     1.09436   108.36811  -172.69180
   74    65 S   CT   _C5_    74     1.52402   111.41822    60.87840
   75    74 S   HC   _H7_    75     1.09377   108.45403    52.86912
   76    74 S   HC   _H8_    76     1.09436   108.38076   172.82315
   77    74 S   HC   _H9_    77     1.09287   108.99854   -67.92338
   78    65 S   CT   _C6_    78     1.53126   107.73264   179.52729
   79    78 S   HC   _H10    79     1.09412   108.41705   -60.12479
   80    78 S   HC   _H11    80     1.09412   108.41141    60.00909
   81    78 S   HC   _H12    81     1.09419   108.57344   179.94065
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7   3   9   4   6   2  11   7   9   6
   9   5   4   9   3   1   3   2   1   1  15   5   4   3   1   4
  12   3   2   1   1  11   4   3   2   7   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    62    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    62    63    39    40    43    44    46  
   38    41    62    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    52    62    63    64    48    39    40    43  
   40    43    44    46    49    41    62  
   43    44    46  
   42    45    47    52    62    63    53    48    55  
   45    47    62    48  
   44    46    49    50    51    59  
   46    49  
   47    52    62    64    53    54    48    55    56    57    58  
   49    50    51    59    60    61    65  
   52    62    63    64    66    53    54    48    55  
   55    56    57    58    52    53  
   50    51    59    60    61    65    70    74    78  
   51    59    60    61    65  
   59    60    61    65  
   62    63    64    66    67    68    69    53    54  
   54    62    64  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    61    65    70    71    72    73    74    75    76    77    78    79    80    81  
   61    65    70    74    78  
   65    70    74    78  
   63    64    66  
   64  
   66    67    68    69  
   70    71    72    73    74    75    76    77    78    79    80    81  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    78  
   74    78  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.221900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    62   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    52   469.000  1.400
   47    53   450.000  1.364
   52    62   469.000  1.400
   52    64   450.000  1.364
   62    63   367.000  1.080
   64    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   553.000  0.945
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   440.000  1.360
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   367.000  1.471
   65    70   367.000  1.471
   65    74   367.000  1.471
   65    78   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    62    52    63.00000  120.00000
   38    62    63    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    52    63.00000  120.00000
   45    47    53    70.00000  120.00000
   45    48    55    75.00000  111.00000
   47    52    62    63.00000  120.00000
   47    52    64    70.00000  120.00000
   47    53    54    35.00000  113.00000
   52    62    63    35.00000  120.00000
   52    64    66    75.00000  111.00000
   62    38    41    63.00000  120.00000
   64    52    62    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    47    52    70.00000  120.00000
   48    45    47    70.00000  120.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    46    49    90.00000  111.18400
   46    43    44    65.00000  121.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    59    50.00000  109.50000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    65    80.00000  111.20000
   51    49    50    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    51    37.50000  110.70000
   59    65    70    75.00000  113.01200
   59    65    74    75.00000  113.01200
   59    65    78    75.00000  113.01200
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   65    78    79    35.00000  109.50000
   65    78    80    35.00000  109.50000
   65    78    81    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    70    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    65    70    75.00000  113.01200
   78    65    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    62    52   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    62    52   3.62500 -1.0 2.0
   41    38    62    63   3.62500 -1.0 2.0
   41    45   -47    52   3.62500 -1.0 2.0
   41    45    47    53   3.62500 -1.0 2.0
   41    45    48    55   1.63200 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    52    62   3.62500 -1.0 2.0
   45    47    52    64   3.62500 -1.0 2.0
   45    47    53    54   0.84100 -1.0 2.0
   45    48    55    56   0.08050  1.0 3.0
   45    48    55    57   0.08050  1.0 3.0
   45    48    55    58   0.08050  1.0 3.0
   47    45    48    55   1.63200 -1.0 2.0
   47    52   -62    38   3.62500 -1.0 2.0
   47    52    62    63   3.62500 -1.0 2.0
   47    52    64    66   1.63200 -1.0 2.0
   52    47    53    54   0.84100 -1.0 2.0
   52    64    66    67   0.08050  1.0 3.0
   52    64    66    68   0.08050  1.0 3.0
   52    64    66    69   0.08050  1.0 3.0
   62    38    41    42   3.62500 -1.0 2.0
   62    38   -41    45   3.62500 -1.0 2.0
   62    52    64    66   1.63200 -1.0 2.0
   64    52    62    38   3.62500 -1.0 2.0
   64    52    62    63   3.62500 -1.0 2.0
   53    47    52    62   3.62500 -1.0 2.0
   53    47    52    64   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   48    45    47    53   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    43    46    49  -2.26850  1.0 1.0
   39    43    46    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    49    50   0.08050  1.0 3.0
   43    46    49    51   0.08050  1.0 3.0
   43    46    49    59  -0.46850  1.0 1.0
   43    46    49    59   0.09300 -1.0 2.0
   43    46    49    59  -0.12850  1.0 3.0
   44    43    46    49   2.00000 -1.0 2.0
   46    49    59    60   0.23400  1.0 3.0
   46    49    59    61   0.23400  1.0 3.0
   46    49    59    65   1.69300  1.0 1.0
   46    49    59    65  -0.48450 -1.0 2.0
   49    59    65    70   0.47100  1.0 1.0
   49    59    65    74   0.47100  1.0 1.0
   49    59    65    78   0.47100  1.0 1.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    61   0.15000  1.0 3.0
   50    49    59    65   0.19200  1.0 3.0
   51    49    59    60   0.15000  1.0 3.0
   51    49    59    61   0.15000  1.0 3.0
   51    49    59    65   0.19200  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    73   0.15000  1.0 3.0
   59    65    74    75   0.15000  1.0 3.0
   59    65    74    76   0.15000  1.0 3.0
   59    65    74    77   0.15000  1.0 3.0
   59    65    78    79   0.15000  1.0 3.0
   59    65    78    80   0.15000  1.0 3.0
   59    65    78    81   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   60    59    65    74   0.15000  1.0 3.0
   60    59    65    78   0.15000  1.0 3.0
   61    59    65    70   0.15000  1.0 3.0
   61    59    65    74   0.15000  1.0 3.0
   61    59    65    78   0.15000  1.0 3.0
   70    65    74    75   0.15000  1.0 3.0
   70    65    74    76   0.15000  1.0 3.0
   70    65    74    77   0.15000  1.0 3.0
   70    65    78    79   0.15000  1.0 3.0
   70    65    78    80   0.15000  1.0 3.0
   70    65    78    81   0.15000  1.0 3.0
   74    65    70    71   0.15000  1.0 3.0
   74    65    70    72   0.15000  1.0 3.0
   74    65    70    73   0.15000  1.0 3.0
   74    65    78    79   0.15000  1.0 3.0
   74    65    78    80   0.15000  1.0 3.0
   74    65    78    81   0.15000  1.0 3.0
   78    65    70    71   0.15000  1.0 3.0
   78    65    70    72   0.15000  1.0 3.0
   78    65    70    73   0.15000  1.0 3.0
   78    65    74    75   0.15000  1.0 3.0
   78    65    74    76   0.15000  1.0 3.0
   78    65    74    77   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    62    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   52    53    47    45   4.00000 -1.0 2.0
   62    64    52    47   4.00000 -1.0 2.0
   52    63    62    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    46    43    39  15.00000 -1.0 2.0
END
