* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    148    229     426
    1     0 S   NP   _N1_     1    28.79930    95.02341   -20.05844
    2     1 S   H    _HN1     2     1.02961    92.34562    45.93676
    3     1 S   H    _H1_     3     1.02834    32.62903   164.45470
    4     1 S   H    _H2_     4     1.02771    85.93014   -62.36620
    5     1 S   CT   _CA1     5     1.50231   142.97944   175.05359
    6     5 S   HC   _HA1     6     1.09579   105.07823    53.06835
    7     5 S   CO3  _C1_     7     1.53869   112.45614   -66.71356
    8     7 S   O2Z  _O11     8     1.26378   114.95924   -36.38962
    9     7 S   O2Z  _O12     9     1.26239   114.95284   142.27711
   10     5 S   CT   _CB1    10     1.53106   107.32706   170.86860
   11    10 S   HC   HB11    11     1.09809   109.21917   -48.88201
   12    10 S   HC   HB12    12     1.09821   110.40420    67.67497
   13    10 S   CT   _CG1    13     1.52969   112.79259  -170.07080
   14    13 S   HC   HG11    14     1.09549   110.17958   -65.03965
   15    13 S   HC   HG12    15     1.09645   110.15570    53.95620
   16    13 S   C    _CD1    16     1.51957   112.38521   173.86084
   17    16 S   O    _OE1    17     1.22709   123.22925   -12.77631
   18    16 S   N    _N2_    18     1.38509   111.57188   168.40417
   19    18 S   H    _HN2    19     1.01570   118.79626    -0.11364
   20    18 S   CT1  _CA2    20     1.46310   123.94178  -178.59863
   21    20 S   HC   _HA2    21     1.09716   109.29302   -18.77560
   22    20 S   C    _C2_    22     1.53583   107.98160  -134.32116
   23    22 S   O    _O2_    23     1.23009   122.42804  -148.56524
   24    20 S   CT   _CB2    32     1.53566   111.31159   103.82577
   25    24 S   HC   HB21    33     1.09375   109.33531    49.80921
   26    24 S   HC   HB22    34     1.09508   110.55126   168.36497
   27    22 S   N    _N3_    24     1.38559   113.38326    38.92968
   28    27 S   H    _HN3    25     1.01532   118.81043    -0.47437
   29    24 S   S    _SG2    35     1.83424   111.87819   -72.79105
   30    27 S   CT   _CA3    26     1.45434   123.52288   175.41636
   31    30 S   HC   HA31    27     1.09521   109.30342    22.96309
   32    30 S   HC   HA32    28     1.09497   107.09444   139.95896
   33    29 S   CT   _C18    36     1.85752   102.17119   152.38828
   34    33 S   OM   _O35    37     1.32078   112.22213    41.71082
   35    30 S   CO3  _C3_    29     1.52911   113.09337  -100.58440
   36    35 S   O2Z  _O31    30     1.26407   115.39923   -44.41636
   37    35 S   O2Z  _O32    31     1.26354   114.98690   136.54535
   38    33 S   CM   _C19    38     1.54643   108.04532   161.76624
   39    38 S   CMA  _C22    39     1.35218   111.01174   119.25594
   40    39 S   OM   _O34    40     1.25374   138.22121   179.91153
   41    38 S   CO4  _C20    76     1.50358   123.15272   -60.76800
   42    41 S   O    _O33    77     1.23278   121.18748    -0.85798
   43    39 S   NE   _N5_    41     1.37071   109.62704     0.80113
   44    43 S   H    _H20    42     1.01019   119.96633   173.36877
   45    41 S   CT   _C21    78     1.50804   119.64649   179.13498
   46    45 S   HC   _H17    79     1.09263   110.43477    62.68629
   47    45 S   HC   _H18    80     1.09266   110.45523   -61.16789
   48    45 S   HC   _H19    81     1.09509   109.05926  -179.20328
   49    33 S   CT   _C17    43     1.59350   115.25325   -84.66771
   50    49 S   HC   _H3_    44     1.09890   111.38479   132.41825
   51    49 S   CT   _C16    45     1.53995   117.60118     5.59720
   52    51 S   HC   _H15    46     1.08686   110.20103    54.25313
   53    51 S   HC   _H16    47     1.09893   110.04203   -62.58306
   54    51 S   C5B  _C14    48     1.50400   114.10524   176.21861
   55    54 S   C5A  _C15    49     1.38256   123.20633    89.11380
   56    55 S   HA   _H13    50     1.08161   130.80557    -0.10653
   57    55 S   NA   _N4_    51     1.36041   108.72344   179.76761
   58    57 S   H    _H14    52     1.01036   124.98333  -179.64227
   59    57 S   C56A _C12    53     1.37361   110.23709    -0.05234
   60    59 S   CA   _C11    54     1.39886   128.41948   179.45500
   61    60 S   HA   _H12    55     1.08511   121.30511    -0.48133
   62    60 S   CA   _C10    56     1.38915   117.85521   179.65395
   63    62 S   HA   _H11    57     1.08651   119.75042   179.65452
   64    62 S   CA   _C9_    58     1.38960   120.41274    -0.77152
   65    64 S   HA   _H10    59     1.08902   118.17688  -179.61794
   66    64 S   CA   _C8_    60     1.41686   122.22624    -0.05935
   67    54 S   C56B _C13    61     1.44734   129.80489   -92.45249
   68    66 S   CT   _C7_    62     1.51755   116.64629  -179.00005
   69    68 S   HC   _H8_    63     1.09791   108.37425    28.96422
   70    68 S   HC   _H9_    64     1.09125   109.38145   143.39774
   71    68 S   CM   _C6_    65     1.50192   113.16213   -92.95979
   72    71 S   HC   _H7_    66     1.08904   116.44424   -12.03513
   73    71 S   CM   _C5_    67     1.34699   125.59838   167.81098
   74    73 S   CT   _C4_    68     1.50429   120.79762  -179.46186
   75    74 S   HC   _H4_    69     1.09489   110.17960   119.87654
   76    74 S   HC   _H5_    70     1.09485   110.32675  -120.36129
   77    74 S   HC   _H6_    71     1.09509   112.37368    -0.21489
   78    73 S   CT   _C23    72     1.50287   124.45232     1.49750
   79    78 S   HC   _H21    73     1.09513   110.05536   124.22845
   80    78 S   HC   _H22    74     1.09476   110.12483  -116.36314
   81    78 S   HC   _H23    75     1.09333   113.20439     4.42731
  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
  15   7   2   1   1  13   9   4   7   4   7   3   3   2   1   1
   7   4   9   4   3  10   7   4   7   3   8   7   4   6   3   7
   3   7   4   7   4   3  10   3   8   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    49    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    50    51    52    53    54    41    42    45  
   38    39    43    49    50    51    41  
   36    37  
   37  
    0  
   39    40    43    44    49    50    51    41    42    45    46    47    48  
   40    43    44    49    50    51    41    42    45  
   43    44    49    41  
   42    45    46    47    48    43    49  
   45    46    47    48  
   44    49    50    51    52    53    54  
   49    50    51  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    67  
   51    52    53    54  
   52    53    54    55    56    57    59    66    67  
   53    54    55    67  
   54    55    67  
   55    56    57    58    59    60    64    66    67    68  
   56    57    58    59    60    66    67  
   57    58    59    67  
   58    59    60    61    62    66    67  
   59    60    67  
   60    61    62    63    64    66    67    68  
   61    62    63    64    65    66    67  
   62    63    64    67  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   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  -0.175000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   57   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   58   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   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   570.000  1.307
   33    38   317.000  1.510
   33    49   268.000  1.529
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   415.000  1.382
   43    44   434.000  1.010
   43    49   382.000  1.448
   49    50   340.000  1.090
   49    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   295.000  1.494
   54    55   520.000  1.370
   54    67   380.000  1.440
   55    56   367.000  1.080
   55    57   427.000  1.381
   57    58   434.000  1.010
   57    59   428.000  1.380
   59    60   469.000  1.400
   59    67   447.000  1.419
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.404
   66    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   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
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    49    43    80.00000  111.61500
   33    49    50    37.50000  110.70000
   33    49    51    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    75.00000  114.40000
   38    41    42    80.00000  123.72100
   38    41    45    65.00000  118.62400
   39    43    44    50.00000  121.48000
   39    43    49    50.00000  121.00000
   43    39    40   105.00000  113.92000
   43    49    50    35.00000  109.50000
   43    49    51    80.00000  111.61500
   49    33    34    50.00000  109.50000
   49    33    38    70.00000  112.02700
   49    43    44    35.00000  112.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    70.00000  112.62400
   51    49    50    37.50000  110.70000
   51    54    55    55.00000  127.77900
   51    54    67    55.00000  128.73000
   53    51    52    33.00000  107.80000
   54    51    52    45.00000  111.11700
   54    51    53    45.00000  111.11700
   54    55    56    35.00000  130.70000
   54    55    57    70.00000  106.30000
   54    67    59    80.00000  107.43600
   54    67    66    50.00000  134.85500
   55    57    58    35.00000  120.00000
   55    57    59    90.00000  107.14200
   57    55    56    35.00000  121.60000
   57    59    60    70.00000  132.80000
   57    59    67    70.00000  104.40000
   59    57    58    35.00000  123.10000
   59    60    61    35.00000  120.00000
   59    60    62    85.00000  120.00000
   59    67    66    85.00000  116.20000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    68    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    70.00000  112.99600
   67    54    55    80.00000  105.82900
   67    59    60    85.00000  122.70000
   68    66    67    70.00000  120.00000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   45    41    42    80.00000  120.40000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.13850  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    43   0.56750  1.0 1.0
   29    33    49    43  -0.07550 -1.0 2.0
   29    33    49    43   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.44750  1.0 1.0
   29    33    49    51  -0.17800 -1.0 2.0
   29    33    49    51   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    45   0.25700  1.0 1.0
   33    38    41    45   0.66200 -1.0 2.0
   33    38    41    45   0.04450  1.0 3.0
   33    49    51    52   0.15000  1.0 3.0
   33    49    51    53   0.15000  1.0 3.0
   33    49    51    54  -0.03700  1.0 1.0
   33    49    51    54   0.37200 -1.0 2.0
   33    49    51    54  -0.47300  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    49    43   2.03850  1.0 1.0
   34    33    49    43  -0.40600 -1.0 2.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    51   0.62750  1.0 1.0
   34    33    49    51  -0.30950 -1.0 2.0
   34    33    49    51   0.27300  1.0 3.0
   38    33   -49    43   0.21700  1.0 1.0
   38    33   -49    43   0.68550 -1.0 2.0
   38    33   -49    43  -0.27950  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51   0.34400  1.0 1.0
   38    33    49    51   0.09450 -1.0 2.0
   38    33    49    51   0.11100  1.0 3.0
   38    39    43    44   1.00000 -1.0 2.0
   38    39   -43    49  -0.54700  1.0 1.0
   38    39   -43    49   1.23000 -1.0 2.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.00000  1.0 1.0
   38    41    45    48   0.00000  1.0 1.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    45  -0.33500  1.0 1.0
   39    38    41    45   1.06600 -1.0 2.0
   39    38    41    45  -0.14000  1.0 3.0
   39    43   -49    33   0.25450  1.0 1.0
   39    43   -49    33  -0.61700 -1.0 2.0
   39    43   -49    33  -0.23550  1.0 3.0
   39    43    49    50   0.00000  1.0 1.0
   39    43    49    51   0.25450  1.0 1.0
   39    43    49    51  -0.61700 -1.0 2.0
   39    43    49    51  -0.23550  1.0 3.0
   40    39    43    44   1.00000 -1.0 2.0
   40    39    43    49   1.00000 -1.0 2.0
   43    49    51    52   0.22950  1.0 3.0
   43    49    51    53   0.22950  1.0 3.0
   43    49    51    54   0.08550  1.0 1.0
   43    49    51    54   1.07500 -1.0 2.0
   43    49    51    54  -0.10950  1.0 3.0
   44    43    49    33   0.00000  1.0 1.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   49    33   -38    39   0.09850  1.0 1.0
   49    33   -38    39   0.15250 -1.0 2.0
   49    33   -38    39  -0.50650  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   49    51    54    55   0.04150 -1.0 2.0
   49    51    54    67   0.04150 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.43200  1.0 3.0
   51    54    55    56   3.62500 -1.0 2.0
   51    54    55    57   3.62500 -1.0 2.0
   51    54    67    59   3.62500 -1.0 2.0
   51    54    67    66   3.62500 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    67   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    67   0.00000  1.0 1.0
   54    55    57    58   1.40000 -1.0 2.0
   54    55   -57    59   3.62500 -1.0 2.0
   55    54   -67    59   3.50000 -1.0 2.0
   55    54    67    66   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57   -59    67   3.62500 -1.0 2.0
   56    55    57    58   2.00000 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59    60    62   3.62500 -1.0 2.0
   57    59   -67    54   3.00000 -1.0 2.0
   57    59    67    66   3.00000 -1.0 2.0
   58    57    59    60   1.52500 -1.0 2.0
   58    57    59    67   1.52500 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60    62    64   3.62500 -1.0 2.0
   60    59    67    54   3.00000 -1.0 2.0
   60    59    67    66   3.00000 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62   -64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    68   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    54   3.62500 -1.0 2.0
   64    66   -67    59   3.50000 -1.0 2.0
   64    66    68    69   0.00000  1.0 1.0
   64    66    68    70   0.00000  1.0 1.0
   64    66    68    71   0.18050 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    73   1.44450  1.0 1.0
   66    68    71    73   0.06600 -1.0 2.0
   66    68    71    73   0.29250  1.0 3.0
   67    54    55    56   3.62500 -1.0 2.0
   67    54   -55    57   3.62500 -1.0 2.0
   67    59    60    61   3.62500 -1.0 2.0
   67    59   -60    62   3.62500 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.18050 -1.0 2.0
   68    66    67    54   3.62500 -1.0 2.0
   68    66    67    59   3.62500 -1.0 2.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    48   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   44    39    43    49   1.00000 -1.0 2.0
   55    67    54    51   4.00000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   58    55    57    59   1.00000 -1.0 2.0
   60    67    59    57   4.00000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    68    66    64   4.00000 -1.0 2.0
   59    66    67    54   4.00000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
