* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    151    249     452
    1     0 S   NP   _N1_     1    28.74555    96.74655   -23.53664
    2     1 S   H    _HN1     2     1.02792   108.08931   -93.77309
    3     1 S   H    _H1_     3     1.02947    67.13259     9.07872
    4     1 S   H    _H2_     4     1.02825    42.14445   169.28188
    5     1 S   CT   _CA1     5     1.50126   137.67697   104.74401
    6     5 S   HC   _HA1     6     1.09577   105.13438    99.62545
    7     5 S   CO3  _C1_     7     1.53756   112.52109   -20.50103
    8     7 S   O2Z  _O11     8     1.26376   114.99227   -41.18393
    9     7 S   O2Z  _O12     9     1.26238   114.93185   137.75522
   10     5 S   CT   _CB1    10     1.53047   107.39639  -142.44627
   11    10 S   HC   HB11    11     1.09840   109.25744   -49.65859
   12    10 S   HC   HB12    12     1.09808   110.50463    66.93058
   13    10 S   CT   _CG1    13     1.52994   112.64118  -170.61913
   14    13 S   HC   HG11    14     1.09572   110.71069   -68.88379
   15    13 S   HC   HG12    15     1.09674   109.70870    50.34088
   16    13 S   C    _CD1    16     1.51806   111.99475   170.82523
   17    16 S   O    _OE1    17     1.22747   123.23301    13.46212
   18    16 S   N    _N2_    18     1.38579   111.75195  -166.54271
   19    18 S   H    _HN2    19     1.01577   118.94354     0.40445
   20    18 S   CT1  _CA2    20     1.46151   123.55603   176.81691
   21    20 S   HC   _HA2    21     1.09726   109.28984     8.33244
   22    20 S   C    _C2_    22     1.53694   109.23136  -107.41679
   23    22 S   O    _O2_    23     1.23102   122.08712  -151.79079
   24    20 S   CT   _CB2    32     1.53333   111.31997   130.38329
   25    24 S   HC   HB21    33     1.09389   109.52585    57.39176
   26    24 S   HC   HB22    34     1.09472   109.98157   175.80567
   27    22 S   N    _N3_    24     1.38256   114.01484    35.69261
   28    27 S   H    _HN3    25     1.01535   119.58406    -3.44901
   29    24 S   S    _SG2    35     1.83153   111.29553   -65.09375
   30    27 S   CT   _CA3    26     1.45276   123.33629   177.29014
   31    30 S   HC   HA31    27     1.09546   107.52692   -64.64629
   32    30 S   HC   HA32    28     1.09555   107.99196    51.82497
   33    29 S   CT   _C20    36     1.86434   101.73912   155.09476
   34    33 S   OM   _O38    37     1.32520   107.74284   179.40851
   35    30 S   CO3  _C3_    29     1.52985   113.99805   173.81008
   36    35 S   O2Z  _O31    30     1.26393   116.06927    -0.38257
   37    35 S   O2Z  _O32    31     1.26423   114.43154   179.66604
   38    33 S   CM   _C21    38     1.53484   110.85645   -63.05052
   39    33 S   CT   _C19    70     1.56256   109.12212    61.70011
   40    39 S   HC   _H4_    71     1.09364   111.13702   -41.43548
   41    38 S   CMA  _C22    39     1.36552   125.14774   132.67155
   42    41 S   OM   _O36    40     1.26899   130.01613   176.34650
   43    39 S   NP   _N5_    72     1.49848   110.21324    73.39693
   44    43 S   H    _H16    73     1.02601   113.51314  -171.19478
   45    43 S   H    _H17    74     1.02883   109.88670    65.97979
   46    43 S   H    _H18    75     1.02864   109.58386   -50.59538
   47    38 S   C    _C23    78     1.51731   117.56861   -48.35899
   48    47 S   O    _O37    79     1.22714   122.81485   -54.13612
   49    41 S   CT   _C16    41     1.55668   118.98191    -2.57397
   50    47 S   N    _N4_    80     1.37615   114.05944   123.31562
   51    50 S   H    _H14    81     1.01450   121.63242     5.97767
   52    50 S   H    _H15    82     1.01317   120.41959  -179.78330
   53    49 S   CO4  _C15    42     1.54592   110.38708   -97.78689
   54    53 S   O    _O35    43     1.23012   122.22212   -18.82323
   55    49 S   OH   _O39    76     1.43645   111.21983   145.71375
   56    55 S   HO   _H19    77     0.97490   106.09527    34.45856
   57    53 S   CA   _C7_    44     1.50416   119.04850   161.61637
   58    57 S   CA   _C6_    45     1.39736   120.04072    -7.76281
   59    58 S   CA   _C5_    46     1.42701   119.43028   177.85224
   60    58 S   CT   _C18    65     1.51358   120.33668     0.21761
   61    60 S   HC   _H12    66     1.09825   107.48222    98.22946
   62    60 S   HC   _H13    67     1.09451   110.49153  -146.19538
   63    59 S   CA   _C10    47     1.45097   121.79159     9.18021
   64    59 S   CT   _C4_    61     1.51790   117.41645  -168.93630
   65    64 S   HC   _H5_    62     1.09347   110.65105   -97.35460
   66    64 S   HC   _H6_    63     1.09389   112.67112    23.78024
   67    64 S   HC   _H7_    64     1.09376   110.76059   138.47596
   68    49 S   CT   _C17    68     1.53735   113.11692    24.86855
   69    68 S   HC   _H3_    69     1.10045   108.70789    64.88595
   70    63 S   CA   _C9_    48     1.42828   117.12892   -10.49882
   71    70 S   CA   _C14    49     1.43020   118.62535  -174.94549
   72    57 S   CA   _C8_    58     1.40731   120.93784   172.55247
   73    71 S   CA   _C13    50     1.39058   123.03253    -2.03855
   74    73 S   HA   _H9_    51     1.08595   121.44369  -179.79442
   75    71 S   OH   _O33    56     1.37606   120.45104   178.07898
   76    75 S   HO   _H10    57     0.97162   109.70202   179.73020
   77    72 S   OH   _O34    59     1.37861   120.00395    -2.17232
   78    77 S   HO   _H11    60     0.97221   110.24996     1.56898
   79    73 S   CA   _C12    52     1.37627   119.01791    -1.60827
   80    79 S   HA   _H8_    53     1.08777   118.81967  -177.07511
   81    63 S   CA   _C11    54     1.44440   126.73137   169.43271
   82    81 S   Cl   Cl1_    55     1.74025   124.22092   -10.11593
  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
  17   7   2   1   1  14  16   8  13   5   7   3   2   1   5   3
  12   2   1   1  12   5   5   1  13  15  15   7   3   2  14   5
   2   1   1   1   1  11   9   5   7   4   2   1   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    68    39    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    60    68    69    39    40    43    44    45    46    47    48    50  
   38    41    68    39    40    43    47  
   36    37  
   37  
    0  
   41    42    49    53    68    39    40    43    55    47    48    50    51    52  
   40    43    44    45    46    55    47    41    49    53    58    60    61    62    68    69  
   43    44    45    46    49    60    68    69  
   42    49    53    54    57    60    68    69    55    56    47    48    50  
   49    53    68    55    47  
   44    45    46    49    60    68    69  
   45    46    68  
   46    68  
   68  
   48    50    51    52    49  
   50    51    52  
   53    54    57    58    72    60    61    62    68    69    55    56  
   51    52  
   52  
    0  
   54    57    58    59    70    72    77    60    68    69    55    56  
   57    58    72    68    55  
   56    57    60    68    69  
   68  
   58    59    63    70    71    72    77    78    64    60    61    62    68  
   59    63    70    81    72    77    64    65    66    67    60    61    62    68    69  
   63    70    71    79    81    82    72    64    65    66    67    60    61    62    68  
   61    62    68    69    63    64    72  
   62    68    69  
   68    69  
   70    71    73    79    80    81    82    75    72    77    64    65    66    67  
   65    66    67    70    81  
   66    67  
   67  
    0  
   69  
    0  
   71    73    74    79    81    82    75    76    72    77    78  
   73    74    79    80    81    75    76    72    77  
   77    78    73    75    81  
   74    79    80    81    82    75    76  
   79    80    81    75  
   76    79  
    0  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    47   410.000  1.444
   41    42   745.000  1.250
   41    49   270.000  1.512
   49    53   317.000  1.522
   49    68   268.000  1.529
   49    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    72   469.000  1.400
   58    59   469.000  1.400
   58    60   317.000  1.510
   59    63   469.000  1.400
   59    64   317.000  1.510
   63    70   469.000  1.400
   63    81   469.000  1.400
   70    71   469.000  1.400
   70    72   469.000  1.400
   71    73   469.000  1.400
   71    75   450.000  1.364
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   300.000  1.725
   75    76   553.000  0.945
   72    77   450.000  1.364
   77    78   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    45   434.000  1.010
   43    46   434.000  1.010
   55    56   553.000  0.945
   47    48   570.000  1.229
   47    50   490.000  1.335
   50    51   434.000  1.010
   50    52   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    47    70.00000  119.70000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    49    65.00000  122.18000
   38    47    48    80.00000  125.30000
   38    47    50    80.00000  111.56200
   41    49    53    70.00000  109.06800
   41    49    68    70.00000  112.02700
   41    49    55    90.00000  110.39200
   49    41    42    85.00000  112.85300
   49    53    54    80.00000  120.40000
   49    53    57    65.00000  115.47100
   49    68    60    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    39    58.35000  112.70000
   49    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    72    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    59    63.00000  120.00000
   57    58    60    70.00000  120.00000
   57    72    70    63.00000  120.00000
   57    72    77    70.00000  120.00000
   58    59    63    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    68    70.00000  112.17500
   59    63    70    63.00000  120.00000
   59    63    81    63.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   63    70    71    63.00000  120.00000
   63    70    72    63.00000  120.00000
   63    81    79    63.00000  120.00000
   63    81    82    75.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    75    70.00000  120.00000
   70    72    77    70.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    79    63.00000  120.00000
   71    75    76    35.00000  113.00000
   73    79    80    35.00000  120.00000
   73    79    81    63.00000  120.00000
   79    73    74    35.00000  120.00000
   79    81    82    75.00000  120.00000
   81    63    70    63.00000  120.00000
   81    79    80    35.00000  120.00000
   75    71    73    70.00000  120.00000
   72    57    58    63.00000  120.00000
   72    70    71    63.00000  120.00000
   72    77    78    35.00000  113.00000
   64    59    63    70.00000  120.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   60    58    59    70.00000  120.00000
   60    68    69    37.50000  110.70000
   60    68    39    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    49    53    63.00000  111.10000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    39    40    37.50000  110.70000
   68    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    68    69    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   39    43    46    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    35.00000  109.50000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   55    49    53    90.00000  109.61100
   55    49    68    50.00000  109.50000
   47    38    41    60.00000  120.04000
   47    50    51    35.00000  119.80000
   47    50    52    35.00000  119.80000
   50    47    48    80.00000  122.90000
   52    50    51    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    47   0.09700  1.0 1.0
   29    33    38    47   0.15600 -1.0 2.0
   29    33    38    47  -0.50800  1.0 3.0
   29    33    39    68   0.44750  1.0 1.0
   29    33    39    68  -0.17800 -1.0 2.0
   29    33    39    68   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    38    47    48  -0.64400  1.0 1.0
   33    38    47    48   0.26850 -1.0 2.0
   33    38    47    50   1.59650  1.0 1.0
   33    38    47    50   0.42750 -1.0 2.0
   33    38    47    50  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    45   0.17350  1.0 3.0
   33    39    43    46   0.17350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    47   0.09700  1.0 1.0
   34    33    38    47   0.15600 -1.0 2.0
   34    33    38    47  -0.50800  1.0 3.0
   34    33    39    68   0.62750  1.0 1.0
   34    33    39    68  -0.30950 -1.0 2.0
   34    33    39    68   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    68   0.34400  1.0 1.0
   38    33    39    68   0.09450 -1.0 2.0
   38    33    39    68   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    49    53  -0.51250  1.0 1.0
   38    41    49    53  -0.88800 -1.0 2.0
   38    41    49    53   0.08850  1.0 3.0
   38    41   -49    68   0.09850  1.0 1.0
   38    41   -49    68   0.15250 -1.0 2.0
   38    41   -49    68  -0.50650  1.0 3.0
   38    41    49    55   0.67800  1.0 1.0
   38    41    49    55   0.47050 -1.0 2.0
   38    41    49    55  -0.62500  1.0 3.0
   38    47    50    51   2.56700 -1.0 2.0
   38    47    50    52   2.56700 -1.0 2.0
   41    38    47    48   1.00000 -1.0 2.0
   41    38    47    50   0.49500  1.0 1.0
   41    38    47    50   1.31600 -1.0 2.0
   41    38    47    50  -0.02300  1.0 3.0
   41    49    53    54   0.30150 -1.0 2.0
   41    49    53    57   0.65300  1.0 1.0
   41    49    53    57  -0.03850 -1.0 2.0
   41    49    53    57   0.33900  1.0 3.0
   41    49    68    60   0.34400  1.0 1.0
   41    49    68    60   0.09450 -1.0 2.0
   41    49    68    60   0.11100  1.0 3.0
   41    49    68    69   0.15000  1.0 3.0
   41    49    68    39   0.34400  1.0 1.0
   41    49    68    39   0.09450 -1.0 2.0
   41    49    68    39   0.11100  1.0 3.0
   41    49    55    56  -0.07800  1.0 1.0
   41    49    55    56  -0.21500 -1.0 2.0
   41    49    55    56  -0.03150  1.0 3.0
   42    41    49    53   0.09700  1.0 1.0
   42    41    49    53   0.15600 -1.0 2.0
   42    41    49    53  -0.50800  1.0 3.0
   42    41    49    68   0.09700  1.0 1.0
   42    41    49    68   0.15600 -1.0 2.0
   42    41    49    68  -0.50800  1.0 3.0
   42    41    49    55   0.09700  1.0 1.0
   42    41    49    55   0.15600 -1.0 2.0
   42    41    49    55  -0.50800  1.0 3.0
   49    53    57    58   2.26350  1.0 1.0
   49    53    57    58   0.76750 -1.0 2.0
   49    53    57    58   0.22500  1.0 3.0
   49    53    57    72   2.26350  1.0 1.0
   49    53    57    72   0.76750 -1.0 2.0
   49    53    57    72   0.22500  1.0 3.0
   49    68   -39    33   0.56750  1.0 1.0
   49    68   -39    33  -0.07550 -1.0 2.0
   49    68   -39    33   0.20000  1.0 3.0
   49    68    39    40   0.15000  1.0 3.0
   49    68    39    43   1.36600  1.0 1.0
   49    68    39    43  -0.11450 -1.0 2.0
   49    68    39    43   0.24250  1.0 3.0
   53    49    68    60  -0.95700  1.0 1.0
   53    49    68    60  -0.18200 -1.0 2.0
   53    49    68    60   0.29450  1.0 3.0
   53    49    68    69  -0.11250  1.0 3.0
   53    49    68    39  -0.95700  1.0 1.0
   53    49    68    39  -0.18200 -1.0 2.0
   53    49    68    39   0.29450  1.0 3.0
   53    49    55    56   0.91850  1.0 1.0
   53    49    55    56   0.57950  1.0 3.0
   53    57    58    59   3.62500 -1.0 2.0
   53    57   -58    60   3.62500 -1.0 2.0
   53    57    72    70   3.62500 -1.0 2.0
   53    57    72    77   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    72   1.05000 -1.0 2.0
   57    58    59    63   3.62500 -1.0 2.0
   57    58    59    64   3.62500 -1.0 2.0
   57    58    60    61   0.00000  1.0 1.0
   57    58    60    62   0.00000  1.0 1.0
   57    58    60    68   0.04150 -1.0 2.0
   57    72    77    78   0.84100 -1.0 2.0
   58    57    72    70   3.62500 -1.0 2.0
   58    57    72    77   3.62500 -1.0 2.0
   58    59   -63    70   3.62500 -1.0 2.0
   58    59    63    81   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    67   0.00000  1.0 1.0
   58    60   -68    49  -0.03700  1.0 1.0
   58    60   -68    49   0.37200 -1.0 2.0
   58    60   -68    49  -0.47300  1.0 3.0
   58    60    68    69   0.43200  1.0 3.0
   58    60    68    39  -0.03700  1.0 1.0
   58    60    68    39   0.37200 -1.0 2.0
   58    60    68    39  -0.47300  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    60    68   0.04150 -1.0 2.0
   59    63    70    71   3.62500 -1.0 2.0
   59    63    70    72   3.62500 -1.0 2.0
   59    63    81    79   3.62500 -1.0 2.0
   59    63    81    82   3.62500 -1.0 2.0
   63    59    64    65   0.00000  1.0 1.0
   63    59    64    66   0.00000  1.0 1.0
   63    59    64    67   0.00000  1.0 1.0
   63    70    71    73   3.62500 -1.0 2.0
   63    70    71    75   3.62500 -1.0 2.0
   63    70   -72    57   3.62500 -1.0 2.0
   63    70    72    77   3.62500 -1.0 2.0
   70    63    81    79   3.62500 -1.0 2.0
   70    63    81    82   3.62500 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71   -73    79   3.62500 -1.0 2.0
   70    71    75    76   0.84100 -1.0 2.0
   70    72    77    78   0.84100 -1.0 2.0
   71    70    72    57   3.62500 -1.0 2.0
   71    70    72    77   3.62500 -1.0 2.0
   71    73    79    80   3.62500 -1.0 2.0
   71    73    79    81   3.62500 -1.0 2.0
   73    71    75    76   0.84100 -1.0 2.0
   73    79   -81    63   3.62500 -1.0 2.0
   73    79    81    82   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    81   3.62500 -1.0 2.0
   80    79    81    63   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    63   -70    71   3.62500 -1.0 2.0
   81    63    70    72   3.62500 -1.0 2.0
   75    71    73    74   3.62500 -1.0 2.0
   75    71    73    79   3.62500 -1.0 2.0
   72    57   -58    59   3.62500 -1.0 2.0
   72    57    58    60   3.62500 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    75   3.62500 -1.0 2.0
   64    59    63    70   3.62500 -1.0 2.0
   64    59    63    81   3.62500 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   60    68    39    33   0.56750  1.0 1.0
   60    68    39    33  -0.07550 -1.0 2.0
   60    68    39    33   0.20000  1.0 3.0
   60    68    39    40   0.15000  1.0 3.0
   60    68    39    43   1.36600  1.0 1.0
   60    68    39    43  -0.11450 -1.0 2.0
   60    68    39    43   0.24250  1.0 3.0
   61    60    68    49   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    39   0.15000  1.0 3.0
   62    60    68    49   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    39   0.15000  1.0 3.0
   68    49    53    54   0.30150 -1.0 2.0
   68    49   -53    57   0.05850 -1.0 2.0
   68    49   -53    57   0.17250  1.0 3.0
   68    49    55    56  -0.11600  1.0 1.0
   68    49    55    56  -0.09450 -1.0 2.0
   68    49    55    56   0.21250  1.0 3.0
   68    39    43    44   0.17350  1.0 3.0
   68    39    43    45   0.17350  1.0 3.0
   68    39    43    46   0.17350  1.0 3.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    40   0.15000  1.0 3.0
   69    68    39    43   0.19200  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    47   0.09700  1.0 1.0
   39    33    38    47   0.15600 -1.0 2.0
   39    33    38    47  -0.50800  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    45   0.13050  1.0 3.0
   40    39    43    46   0.13050  1.0 3.0
   55    49    53    54   0.30150 -1.0 2.0
   55    49    53    57   0.65300  1.0 1.0
   55    49    53    57  -0.03850 -1.0 2.0
   55    49    53    57   0.33900  1.0 3.0
   55    49    68    60   0.86500  1.0 1.0
   55    49    68    60  -0.17500 -1.0 2.0
   55    49    68    60   0.20800  1.0 3.0
   55    49    68    69   0.23400  1.0 3.0
   55    49    68    39   0.86500  1.0 1.0
   55    49    68    39  -0.17500 -1.0 2.0
   55    49    68    39   0.20800  1.0 3.0
   47    38    41    42   7.00000 -1.0 2.0
   47    38    41    49   7.00000 -1.0 2.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    52   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    47    38    41   1.10000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   58    72    57    53   4.00000 -1.0 2.0
   59    60    58    57   4.00000 -1.0 2.0
   63    64    59    58   4.00000 -1.0 2.0
   70    81    63    59   4.00000 -1.0 2.0
   71    72    70    63   4.00000 -1.0 2.0
   73    75    71    70   4.00000 -1.0 2.0
   79    74    73    71   1.10000 -1.0 2.0
   81    80    79    73   1.10000 -1.0 2.0
   79    82    81    63   4.00000 -1.0 2.0
   70    77    72    57   4.00000 -1.0 2.0
   38    50    47    48  10.50000 -1.0 2.0
   52    47    50    51   1.00000 -1.0 2.0
END
