* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    237     442
    1     0 S   NP   _N1_     1    28.77407    93.54798   -22.01719
    2     1 S   H    _HN1     2     1.03211    92.37016    25.11848
    3     1 S   H    _H1_     3     1.02812    25.64776   151.04238
    4     1 S   H    _H2_     4     1.02760    93.41865   -82.94620
    5     1 S   CT   _CA1     5     1.50121   136.54465   149.07345
    6     5 S   HC   _HA1     6     1.09573   105.23328    61.65524
    7     5 S   CO3  _C1_     7     1.53789   112.42081   -58.49360
    8     7 S   O2Z  _O11     8     1.26329   115.12645   -44.70081
    9     7 S   O2Z  _O12     9     1.26267   114.85084   134.47343
   10     5 S   CT   _CB1    10     1.53022   107.40874   179.48909
   11    10 S   HC   HB11    11     1.09811   109.42121   -50.94571
   12    10 S   HC   HB12    12     1.09556   110.14734    65.59212
   13    10 S   CT   _CG1    13     1.52942   113.10670  -172.64358
   14    13 S   HC   HG11    14     1.09591   110.36105   -61.94342
   15    13 S   HC   HG12    15     1.09624   110.15250    57.35343
   16    13 S   C    _CD1    16     1.51865   112.06433   177.56313
   17    16 S   O    _OE1    17     1.22727   123.26581    -9.52568
   18    16 S   N    _N2_    18     1.38587   111.78031   171.44861
   19    18 S   H    _HN2    19     1.01571   119.03775     2.03298
   20    18 S   CT1  _CA2    20     1.46104   123.35581  -179.97202
   21    20 S   HC   _HA2    21     1.09606   109.37477     0.74808
   22    20 S   C    _C2_    22     1.53506   108.76205  -114.54489
   23    22 S   O    _O2_    23     1.23044   122.10566  -145.44286
   24    20 S   CT   _CB2    32     1.53311   111.47433   123.00366
   25    24 S   HC   HB21    33     1.09652   109.72614    59.58477
   26    24 S   HC   HB22    34     1.09566   111.03801   177.08060
   27    22 S   N    _N3_    24     1.38468   113.58423    42.03164
   28    27 S   H    _HN3    25     1.01486   119.00873    -0.69858
   29    24 S   S    _SG2    35     1.82820   114.33280   -60.32386
   30    27 S   CT   _CA3    26     1.45453   123.53533   174.85117
   31    30 S   HC   HA31    27     1.09514   109.39861    21.98744
   32    30 S   HC   HA32    28     1.09501   107.10530   139.02907
   33    29 S   CT   _C22    36     1.82372    99.67458   -67.82358
   34    33 S   HC   _H21    37     1.09498   109.48849   -44.90916
   35    33 S   HC   _H22    38     1.09322   108.73281    70.91046
   36    30 S   CO3  _C3_    29     1.52917   112.91072  -101.57767
   37    36 S   O2Z  _O31    30     1.26421   115.32630   -46.64586
   38    36 S   O2Z  _O32    31     1.26343   115.03382   134.22815
   39    33 S   CM   _C20    39     1.52072   110.15552  -166.01822
   40    39 S   CMA  _C19    40     1.36630   123.27275   -98.62688
   41    40 S   OM   _O39    41     1.26894   125.49448   179.84677
   42    39 S   CT   _C21    77     1.51895   114.07960    82.47931
   43    42 S   HC   _H18    78     1.09386   113.31797  -177.57521
   44    42 S   HC   _H19    79     1.09498   110.33677   -57.22762
   45    40 S   OS   _O37    42     1.41724   111.65964     2.21885
   46    42 S   OH   _O38    80     1.42401   109.58926    62.15390
   47    46 S   HO   _H20    81     0.97199   106.80290   178.32275
   48    45 S   CT   _C8_    43     1.43882   115.59715  -135.34895
   49    48 S   HC   _H3_    44     1.09641   111.33873   -44.81054
   50    48 S   CT   _C7_    45     1.54623   109.02852    78.73899
   51    50 S   HC   _H10    46     1.09882   108.98534   -66.82735
   52    50 S   HC   _H11    47     1.10064   107.87243    46.35271
   53    48 S   CT   _C9_    60     1.52313   107.51886  -164.65169
   54    53 S   HC   _H4_    61     1.10032   108.71875   -55.96383
   55    50 S   CT   _C6_    48     1.55807   115.58139   168.74436
   56    53 S   CM   _C17    62     1.48649   122.88232    68.01482
   57    55 S   CT   _C15    49     1.54049   109.21127    71.40597
   58    57 S   HC   _H14    50     1.09446   112.81806   -52.27325
   59    57 S   HC   _H15    51     1.09708   110.92498    66.17792
   60    56 S   CO4  _C16    63     1.48717   105.78883   155.72333
   61    60 S   O    _O36    64     1.21733   127.28381   161.89534
   62    56 S   CM   _C18    66     1.33373   131.36760   -22.89502
   63    62 S   HC   _H16    67     1.08464   121.19120    -0.89065
   64    62 S   HC   _H17    68     1.08520   121.53436   179.54030
   65    55 S   CM   _C5_    72     1.53325   105.94419  -172.98194
   66    65 S   HC   _H9_    73     1.09068   115.33178   -65.98397
   67    57 S   OS   _O34    52     1.44352   113.63743  -173.87804
   68    80 S   OS   _O35    65     1.43566   114.39473  -173.80188
   69    65 S   CM   _C4_    74     1.33907   128.51038   112.60069
   70    69 S   HC   _H7_    75     1.08554   119.93572  -179.30931
   71    69 S   HC   _H8_    76     1.08249   123.10545    -0.01978
   72    67 S   CO4  _C14    53     1.35407   124.64726    33.22910
   73    72 S   O    _O33    54     1.22714   120.69495   172.43361
   74    72 S   CM   _C12    55     1.48205   116.83372    -8.94246
   75    55 S   CT   _C11    56     1.55789   111.29661   -47.39429
   76    75 S   HC   _H6_    57     1.09971   109.20892   -69.41140
   77    74 S   CM   _C13    69     1.34376   117.01737  -168.92223
   78    77 S   HC   _H12    70     1.08577   120.82374   178.77763
   79    77 S   HC   _H13    71     1.08524   122.75585    -1.29815
   80    75 S   CT   _C10    58     1.53836   110.73214    48.18365
   81    80 S   HC   _H5_    59     1.10024   109.99872    66.44034
  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   6   5   4   3
  10   4   3   2   1   1   9  10   3   5   3   2  10   1   1  16
   8  17   6   5  14   7  17   9  12   5   4   8   3   4   1   1
   9   4   5   5   3   1   1   8   3   7   6   3   3   1   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    42    43    44    46  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    45    48    42    43    44    46    47  
   41    45    48    49    50    53    42    43    44    46  
   45    48    42  
   43    44    46    47    45  
   44    46    47  
   46    47  
   48    49    50    51    52    55    80    53    54    56  
   47  
    0  
   49    50    51    52    55    57    75    80    81    53    54    56    60    68    62    65  
   50    51    52    55    80    53    54    56  
   51    52    55    57    58    59    67    74    75    76    80    53    54    56    65    66    69  
   52    55    57    75    53    65  
   55    57    75    53    65  
   54    56    60    61    68    62    63    64    55    74    75    76    80    81  
   56    60    68    62    75    80    81  
   57    58    59    67    72    74    75    76    80    81    68    77    65    66    69    70    71  
   60    61    68    62    63    64    75    80    81  
   58    59    67    72    73    74    75    76    80    65    66    69  
   59    67    72    75    65  
   67    72    75    65  
   61    68    62    63    64    75    80    81  
   68    62    80  
   63    64    68    80  
   64  
    0  
   66    69    70    71    67    74    75    76    80  
   69    70    71    75  
   72    73    74    75    77  
   74    75    76    80    81  
   70    71    75  
   71  
    0  
   73    74    75    76    80    77    78    79  
   74    75    77  
   75    76    80    81    77    78    79  
   76    80    81    77    78    79  
   80    81    77  
   78    79    80  
   79  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    57   268.000  1.529
   55    75   268.000  1.529
   55    65   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    67   320.000  1.410
   67    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   317.000  1.510
   74    77   549.000  1.340
   75    76   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    53   268.000  1.529
   80    68   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    60   320.000  1.462
   56    62   549.000  1.340
   60    61   570.000  1.229
   60    68   214.000  1.327
   62    63   340.000  1.080
   62    64   340.000  1.080
   77    78   340.000  1.080
   77    79   340.000  1.080
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    71   340.000  1.080
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   320.000  1.410
   46    47   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    45    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    90.00000  110.39200
   40    45    48    90.00000  111.18400
   45    40    41    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    50    50.00000  109.50000
   45    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    53    80    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    58.35000  112.70000
   50    55    75    58.35000  112.70000
   50    55    65    70.00000  112.02700
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    67    50.00000  109.50000
   55    75    74    70.00000  112.02700
   55    75    76    37.50000  110.70000
   55    75    80    58.35000  112.70000
   55    65    66    35.00000  117.00000
   55    65    69    70.00000  124.00000
   57    67    72    83.00000  116.90000
   59    57    58    33.00000  107.80000
   67    57    58    35.00000  109.50000
   67    57    59    35.00000  109.50000
   67    72    73    83.00000  123.40000
   67    72    74    90.00000  111.29400
   72    74    75    65.00000  116.34900
   72    74    77    65.00000  118.96000
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  109.50000
   74    75    80    70.00000  112.02700
   74    77    78    35.00000  120.00000
   74    77    79    35.00000  120.00000
   75    55    57    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    53    58.35000  112.70000
   75    80    68    50.00000  109.50000
   80    75    76    37.50000  110.70000
   80    53    54    37.50000  110.70000
   80    53    56    70.00000  112.02700
   80    68    60    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    80    81    37.50000  110.70000
   53    56    60    65.00000  116.34900
   53    56    62    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    60    61    80.00000  123.72100
   56    60    68    90.00000  111.29400
   56    62    63    35.00000  120.00000
   56    62    64    35.00000  120.00000
   68    80    81    35.00000  109.50000
   68    80    53    50.00000  109.50000
   68    60    61    83.00000  123.40000
   62    56    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   77    74    75    70.00000  124.00000
   79    77    78    35.00000  117.00000
   65    55    57    70.00000  112.02700
   65    55    75    70.00000  112.02700
   65    69    70    35.00000  120.00000
   65    69    71    35.00000  120.00000
   69    65    66    35.00000  120.00000
   71    69    70    35.00000  117.00000
   42    39    40    70.00000  124.00000
   42    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.18000  1.0 1.0
   33    39    42    46   0.16450 -1.0 2.0
   33    39    42    46   0.04450  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    45    48  -2.26850  1.0 1.0
   39    40    45    48   3.39050 -1.0 2.0
   39    42    46    47  -0.07800  1.0 1.0
   39    42    46    47  -0.21500 -1.0 2.0
   39    42    46    47  -0.03150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    46   0.67800  1.0 1.0
   40    39    42    46   0.47050 -1.0 2.0
   40    39    42    46  -0.62500  1.0 3.0
   40    45    48    49   0.08050  1.0 3.0
   40    45    48    50  -0.46850  1.0 1.0
   40    45    48    50   0.09300 -1.0 2.0
   40    45    48    50  -0.12850  1.0 3.0
   40    45    48    53  -0.46850  1.0 1.0
   40    45    48    53   0.09300 -1.0 2.0
   40    45    48    53  -0.12850  1.0 3.0
   41    40    45    48   2.00000 -1.0 2.0
   45    48    50    51   0.23400  1.0 3.0
   45    48    50    52   0.23400  1.0 3.0
   45    48    50    55   0.62750  1.0 1.0
   45    48    50    55  -0.30950 -1.0 2.0
   45    48    50    55   0.27300  1.0 3.0
   45    48    53    80   0.62750  1.0 1.0
   45    48    53    80  -0.30950 -1.0 2.0
   45    48    53    80   0.27300  1.0 3.0
   45    48    53    54   0.23400  1.0 3.0
   45    48    53    56   0.61850  1.0 1.0
   45    48    53    56  -0.22750 -1.0 2.0
   45    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.56750  1.0 1.0
   48    50    55    57  -0.07550 -1.0 2.0
   48    50    55    57   0.20000  1.0 3.0
   48    50    55    75   0.56750  1.0 1.0
   48    50    55    75  -0.07550 -1.0 2.0
   48    50    55    75   0.20000  1.0 3.0
   48    50    55    65   0.34400  1.0 1.0
   48    50    55    65   0.09450 -1.0 2.0
   48    50    55    65   0.11100  1.0 3.0
   48    53    56    60   0.09700  1.0 1.0
   48    53    56    60   0.15600 -1.0 2.0
   48    53    56    60  -0.50800  1.0 3.0
   48    53    56    62   0.09850  1.0 1.0
   48    53    56    62   0.15250 -1.0 2.0
   48    53    56    62  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    80   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    80   0.56750  1.0 1.0
   50    48    53    80  -0.07550 -1.0 2.0
   50    48    53    80   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    59   0.15000  1.0 3.0
   50    55    57    67   0.62750  1.0 1.0
   50    55    57    67  -0.30950 -1.0 2.0
   50    55    57    67   0.27300  1.0 3.0
   50    55    75    74   0.34400  1.0 1.0
   50    55    75    74   0.09450 -1.0 2.0
   50    55    75    74   0.11100  1.0 3.0
   50    55    75    76   0.15000  1.0 3.0
   50    55   -75    80   0.56750  1.0 1.0
   50    55   -75    80  -0.07550 -1.0 2.0
   50    55   -75    80   0.20000  1.0 3.0
   50    55    65    66   0.00000  1.0 1.0
   50    55    65    69   0.09850  1.0 1.0
   50    55    65    69   0.15250 -1.0 2.0
   50    55    65    69  -0.50650  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    75   0.15000  1.0 3.0
   51    50    55    65   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    75   0.15000  1.0 3.0
   52    50    55    65   0.15000  1.0 3.0
   55    57    67    72  -0.25900  1.0 1.0
   55    57    67    72  -0.47000 -1.0 2.0
   55    57    67    72   0.11750  1.0 3.0
   55    75    80    81   0.15000  1.0 3.0
   55    75    80    53   0.56750  1.0 1.0
   55    75    80    53  -0.07550 -1.0 2.0
   55    75    80    53   0.20000  1.0 3.0
   55    75    80    68   0.62750  1.0 1.0
   55    75    80    68  -0.30950 -1.0 2.0
   55    75    80    68   0.27300  1.0 3.0
   55    65    69    70   7.00000 -1.0 2.0
   55    65    69    71   7.00000 -1.0 2.0
   57    55    75    74   0.34400  1.0 1.0
   57    55    75    74   0.09450 -1.0 2.0
   57    55    75    74   0.11100  1.0 3.0
   57    55    75    76   0.15000  1.0 3.0
   57    55    75    80   0.56750  1.0 1.0
   57    55    75    80  -0.07550 -1.0 2.0
   57    55    75    80   0.20000  1.0 3.0
   57    55    65    66   0.00000  1.0 1.0
   57    55    65    69   0.09850  1.0 1.0
   57    55    65    69   0.15250 -1.0 2.0
   57    55    65    69  -0.50650  1.0 3.0
   57    67    72    73   3.00000 -1.0 2.0
   57    67   -72    74   2.00000 -1.0 2.0
   58    57    67    72   0.08050  1.0 3.0
   59    57    67    72   0.08050  1.0 3.0
   67    72    74    75  -0.15000  1.0 1.0
   67    72    74    75   0.89550 -1.0 2.0
   67    72    74    75  -0.06900  1.0 3.0
   67    72    74    77  -0.56150  1.0 1.0
   67    72    74    77   2.19150 -1.0 2.0
   72    74   -75    55   0.09700  1.0 1.0
   72    74   -75    55   0.15600 -1.0 2.0
   72    74   -75    55  -0.50800  1.0 3.0
   72    74    75    76   0.15000  1.0 3.0
   72    74    75    80   0.09700  1.0 1.0
   72    74    75    80   0.15600 -1.0 2.0
   72    74    75    80  -0.50800  1.0 3.0
   72    74    77    78   7.00000 -1.0 2.0
   72    74    77    79   7.00000 -1.0 2.0
   73    72    74    75  -0.64400  1.0 1.0
   73    72    74    75   0.26850 -1.0 2.0
   73    72    74    77   1.00000 -1.0 2.0
   74    75    80    81   0.15000  1.0 3.0
   74    75    80    53   0.34400  1.0 1.0
   74    75    80    53   0.09450 -1.0 2.0
   74    75    80    53   0.11100  1.0 3.0
   74    75    80    68   0.61850  1.0 1.0
   74    75    80    68  -0.22750 -1.0 2.0
   74    75    80    68   0.15300  1.0 3.0
   75    55    57    58   0.15000  1.0 3.0
   75    55    57    59   0.15000  1.0 3.0
   75    55   -57    67   0.62750  1.0 1.0
   75    55   -57    67  -0.30950 -1.0 2.0
   75    55   -57    67   0.27300  1.0 3.0
   75    55    65    66   0.00000  1.0 1.0
   75    55    65    69   0.09850  1.0 1.0
   75    55    65    69   0.15250 -1.0 2.0
   75    55    65    69  -0.50650  1.0 3.0
   75    74    77    78   7.00000 -1.0 2.0
   75    74    77    79   7.00000 -1.0 2.0
   75    80   -53    48   0.56750  1.0 1.0
   75    80   -53    48  -0.07550 -1.0 2.0
   75    80   -53    48   0.20000  1.0 3.0
   75    80    53    54   0.15000  1.0 3.0
   75    80    53    56   0.34400  1.0 1.0
   75    80    53    56   0.09450 -1.0 2.0
   75    80    53    56   0.11100  1.0 3.0
   75    80    68    60  -0.25900  1.0 1.0
   75    80    68    60  -0.47000 -1.0 2.0
   75    80    68    60   0.11750  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    53   0.15000  1.0 3.0
   76    75    80    68   0.23400  1.0 3.0
   80    53   -56    60   0.09700  1.0 1.0
   80    53   -56    60   0.15600 -1.0 2.0
   80    53   -56    60  -0.50800  1.0 3.0
   80    53    56    62   0.09850  1.0 1.0
   80    53    56    62   0.15250 -1.0 2.0
   80    53    56    62  -0.50650  1.0 3.0
   81    80    53    48   0.15000  1.0 3.0
   81    80    53    54   0.15000  1.0 3.0
   81    80    53    56   0.15000  1.0 3.0
   81    80    68    60   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48   -50    55   0.56750  1.0 1.0
   53    48   -50    55  -0.07550 -1.0 2.0
   53    48   -50    55   0.20000  1.0 3.0
   53    80   -68    60  -0.25900  1.0 1.0
   53    80   -68    60  -0.47000 -1.0 2.0
   53    80   -68    60   0.11750  1.0 3.0
   53    56    60    61  -0.64400  1.0 1.0
   53    56    60    61   0.26850 -1.0 2.0
   53    56   -60    68  -0.15000  1.0 1.0
   53    56   -60    68   0.89550 -1.0 2.0
   53    56   -60    68  -0.06900  1.0 3.0
   53    56    62    63   7.00000 -1.0 2.0
   53    56    62    64   7.00000 -1.0 2.0
   54    53    56    60   0.15000  1.0 3.0
   54    53    56    62   0.00000  1.0 1.0
   56    60   -68    80   2.00000 -1.0 2.0
   60    56    62    63   7.00000 -1.0 2.0
   60    56    62    64   7.00000 -1.0 2.0
   61    60    68    80   3.00000 -1.0 2.0
   68    80    53    48   0.62750  1.0 1.0
   68    80    53    48  -0.30950 -1.0 2.0
   68    80    53    48   0.27300  1.0 3.0
   68    80    53    54   0.23400  1.0 3.0
   68    80   -53    56   0.61850  1.0 1.0
   68    80   -53    56  -0.22750 -1.0 2.0
   68    80   -53    56   0.15300  1.0 3.0
   62    56    60    61   1.00000 -1.0 2.0
   62    56    60    68  -0.56150  1.0 1.0
   62    56    60    68   2.19150 -1.0 2.0
   77    74    75    55   0.09850  1.0 1.0
   77    74    75    55   0.15250 -1.0 2.0
   77    74    75    55  -0.50650  1.0 3.0
   77    74    75    76   0.00000  1.0 1.0
   77    74    75    80   0.09850  1.0 1.0
   77    74    75    80   0.15250 -1.0 2.0
   77    74    75    80  -0.50650  1.0 3.0
   65    55    57    58   0.15000  1.0 3.0
   65    55    57    59   0.15000  1.0 3.0
   65    55    57    67   0.61850  1.0 1.0
   65    55    57    67  -0.22750 -1.0 2.0
   65    55    57    67   0.15300  1.0 3.0
   65    55    75    74   0.31000  1.0 1.0
   65    55    75    74   0.14700 -1.0 2.0
   65    55    75    74   0.07550  1.0 3.0
   65    55    75    76   0.15000  1.0 3.0
   65    55    75    80   0.34400  1.0 1.0
   65    55    75    80   0.09450 -1.0 2.0
   65    55    75    80   0.11100  1.0 3.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    71   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47   0.19450  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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    45    40    39  15.00000 -1.0 2.0
   67    74    72    73  10.50000 -1.0 2.0
   72    75    74    77   1.10000 -1.0 2.0
   53    60    56    62   1.10000 -1.0 2.0
   56    68    60    61  10.50000 -1.0 2.0
   63    64    62    56   1.10000 -1.0 2.0
   78    79    77    74   1.10000 -1.0 2.0
   55    66    65    69  15.00000 -1.0 2.0
   70    71    69    65  15.00000 -1.0 2.0
END
