* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    239     431
    1     0 S   NP   _N1_     1    30.96087    99.67763   -24.62658
    2     1 S   H    _HN1     2     1.03474   156.17488   -94.46415
    3     1 S   H    _H1_     3     1.02850    53.35022   -50.58616
    4     1 S   H    _H2_     4     1.02752    69.87972   177.47245
    5     1 S   CT   _CA1     5     1.50083    90.64475    65.26336
    6     5 S   HC   _HA1     6     1.09547   104.85161   128.19342
    7     5 S   CO3  _C1_     7     1.53635   113.33872     7.61883
    8     7 S   O2Z  _O11     8     1.26401   115.08675   -32.72904
    9     7 S   O2Z  _O12     9     1.26230   115.01889   146.60642
   10     5 S   CT   _CB1    10     1.53006   107.42751  -113.34639
   11    10 S   HC   HB11    11     1.09552   109.45986   -39.31387
   12    10 S   HC   HB12    12     1.09834   110.53409    76.35815
   13    10 S   CT   _CG1    13     1.53214   112.93280  -161.70096
   14    13 S   HC   HG11    14     1.09532   111.07257   -92.12440
   15    13 S   HC   HG12    15     1.09564   111.21479    27.21172
   16    13 S   C    _CD1    16     1.51527   109.16476   147.75267
   17    16 S   O    _OE1    17     1.22807   121.84211    84.15529
   18    16 S   N    _N2_    18     1.38524   112.52003   -92.08615
   19    18 S   H    _HN2    19     1.01627   119.12849    -7.31802
   20    18 S   CT1  _CA2    20     1.46134   123.70746   171.52773
   21    20 S   HC   _HA2    21     1.09722   109.16325   -10.55581
   22    20 S   C    _C2_    22     1.53823   108.76889  -126.10719
   23    22 S   O    _O2_    23     1.23075   122.11883  -156.24000
   24    20 S   CT   _CB2    32     1.53374   111.75658   111.90864
   25    24 S   HC   HB21    33     1.09262   109.75129    58.26651
   26    24 S   HC   HB22    34     1.09550   110.19612   175.50281
   27    22 S   N    _N3_    24     1.38357   113.96898    30.73327
   28    27 S   H    _HN3    25     1.01442   119.08630    -2.72893
   29    24 S   S    _SG2    35     1.83074   111.58799   -66.45324
   30    27 S   CT   _CA3    26     1.45323   123.45831   177.92453
   31    30 S   HC   HA31    27     1.09552   107.27717   -68.04524
   32    30 S   HC   HA32    28     1.09555   108.12776    48.28864
   33    29 S   CT   _C21    36     1.90373   102.53136   132.28112
   34    30 S   CO3  _C3_    29     1.53059   114.36919   170.32254
   35    34 S   O2Z  _O31    30     1.26436   116.33586    -6.19581
   36    34 S   O2Z  _O32    31     1.26408   114.45023   173.91556
   37    33 S   CO4  _C22    37     1.54613   104.23095   -72.45460
   38    37 S   O    _O37    38     1.23868   120.57210    76.07197
   39    33 S   CT   _C20    69     1.55747   106.59395   166.50667
   40    39 S   OM   _O39    70     1.32286   111.14065  -174.77854
   41    39 S   HC   _H4_    71     1.10154   107.02126   -44.24011
   42    33 S   C    _C23    74     1.55109   107.04354    47.91778
   43    42 S   O    _O38    75     1.23056   123.39166  -121.56093
   44    37 S   CT   _C16    39     1.55239   119.47978  -101.27685
   45    42 S   N    _N4_    76     1.37845   115.31395    59.15859
   46    45 S   H    _H13    77     1.01369   122.27185    -1.12274
   47    45 S   H    _H14    78     1.01328   120.36303   179.07359
   48    44 S   CMA  _C15    40     1.55702   115.07996  -100.54593
   49    48 S   OM   _O35    41     1.26683   111.41568   -40.66634
   50    44 S   OH   _O40    72     1.44993   102.95868   144.04632
   51    50 S   HO   _H15    73     0.97473   106.06033    72.18437
   52    48 S   CM   _C7_    42     1.36150   118.56002   140.12804
   53    52 S   CM   _C6_    43     1.45902   124.60720     2.58740
   54    53 S   CM   _C5_    44     1.35410   121.28121  -162.85713
   55    53 S   CT   _C18    62     1.51169   114.23423    18.11791
   56    55 S   HC   _H11    63     1.09779   109.28456    71.67244
   57    55 S   HC   _H12    64     1.09451   112.44758  -170.59866
   58    54 S   CA   _C10    45     1.50018   119.51198     7.84222
   59    54 S   CT   _C4_    58     1.50658   121.05880  -168.63308
   60    59 S   HC   _H5_    59     1.09389   111.19025   -91.99454
   61    59 S   HC   _H6_    60     1.09534   111.93713    28.63781
   62    59 S   HC   _H7_    61     1.09512   111.51139   144.82524
   63    44 S   CT   _C17    65     1.53645   110.65219    32.12591
   64    63 S   HC   _H3_    66     1.09967   108.82705    69.38723
   65    58 S   CA   _C9_    46     1.41642   118.03950   -23.80264
   66    63 S   CO4  _C19    67     1.53194   114.98678   -48.34934
   67    66 S   O    _O36    68     1.23746   120.35818  -163.74362
   68    52 S   CO4  _C8_    47     1.49971   119.76448   177.76927
   69    68 S   O    _O34    48     1.22459   124.15884   -31.61626
   70    65 S   CA   _C14    49     1.40730   121.36351  -174.34480
   71    70 S   CA   _C13    50     1.38706   120.50661    -2.06355
   72    71 S   HA   _H9_    51     1.08628   120.67898  -179.50981
   73    70 S   OH   _O33    56     1.36940   123.65424   179.15605
   74    73 S   HO   _H10    57     0.97428   108.88001    -2.39097
   75    71 S   CA   _C12    52     1.38747   119.33819    -1.68016
   76    75 S   HA   _H8_    53     1.08809   118.60110  -176.99176
   77    58 S   CA   _C11    54     1.41576   125.41716   156.61084
   78    77 S   Cl   Cl1_    55     1.73451   124.21075    -9.83821
  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  11   5   4   3
  16   2   1   1  17   6  11   5   4   6   3  14   2   1   1  13
   5   6   1  12  16  15   9   4   3  14   5   2   1   1   3   2
  10   1   1   5   1   7   7   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    66    39    40    41    42    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    63    66    67    39    40    41    50    42    43    45    46    47  
   35    36  
   36  
    0  
   38    44    48    49    52    55    63    64    66    39    40    41    50    51    42    43    45  
   44    48    63    39    50    42  
   40    41    42    43    45    44    55    63    64    66    67  
   41    42    63    66    67  
   42    63    66    67  
   43    45    46    47    44    66  
   45    46    47  
   48    49    52    53    68    55    56    57    63    64    66    67    50    51  
   46    47  
   47  
    0  
   49    52    53    54    65    68    69    55    63    64    66    50    51  
   52    53    68    63    50  
   51    52    55    63    64    66  
   63  
   53    54    58    65    68    69    70    59    55    56    57    63  
   54    58    65    68    69    77    59    60    61    62    55    56    57    63    64    66  
   58    65    68    70    75    77    78    59    60    61    62    55    56    57    63  
   56    57    63    64    66    67    58    59    68  
   57    63    64    66  
   63    64    66  
   65    68    69    70    71    75    76    77    78    73    59    60    61    62  
   60    61    62    65    77  
   61    62  
   62  
    0  
   64    66    67  
   66    67  
   68    69    70    71    72    75    77    78    73    74  
   67  
    0  
   69    70    71    77    73  
   70  
   71    72    75    76    77    73    74  
   72    75    76    77    78    73    74  
   75    76    77    73  
   74    75  
    0  
   76    77    78  
   77    78  
   78  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    48   270.000  1.512
   44    63   268.000  1.529
   44    50   320.000  1.410
   48    49   745.000  1.250
   48    52   465.000  1.376
   52    53   380.000  1.444
   52    68   320.000  1.462
   53    54   549.000  1.340
   53    55   317.000  1.510
   54    58   320.000  1.460
   54    59   317.000  1.510
   58    65   469.000  1.400
   58    77   469.000  1.400
   65    68   310.000  1.470
   65    70   469.000  1.400
   68    69   570.000  1.229
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   73    74   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    66   317.000  1.522
   66    67   570.000  1.229
   66    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   50    51   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    47   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    66    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    45    70.00000  116.60000
   37    44    48    70.00000  109.06800
   37    44    63    63.00000  111.10000
   37    44    50    90.00000  109.61100
   44    37    38    80.00000  120.40000
   44    48    49    85.00000  112.85300
   44    48    52    65.00000  122.18000
   44    63    55    58.35000  112.70000
   44    63    64    37.50000  110.70000
   44    63    66    63.00000  111.10000
   44    50    51    55.00000  108.50000
   48    52    53    70.00000  117.34000
   48    52    68    60.00000  125.92000
   52    48    49    65.00000  137.10300
   52    53    54    70.00000  123.01800
   52    53    55    70.00000  124.00000
   52    68    65    65.00000  117.02400
   52    68    69    80.00000  123.72100
   53    54    58    60.00000  123.20500
   53    54    59    70.00000  124.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.02700
   54    58    65    60.00000  120.93500
   54    58    77    60.00000  120.93500
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   58    65    68    60.00000  119.52600
   58    65    70    63.00000  120.00000
   58    77    75    63.00000  120.00000
   58    77    78    75.00000  120.00000
   65    68    69    75.00000  123.78400
   65    70    71    63.00000  120.00000
   65    70    73    70.00000  120.00000
   68    52    53    65.00000  118.96000
   70    65    68    60.00000  119.52600
   70    71    72    35.00000  120.00000
   70    71    75    63.00000  120.00000
   70    73    74    35.00000  113.00000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    58    65    63.00000  120.00000
   77    75    76    35.00000  120.00000
   73    70    71    70.00000  120.00000
   59    54    58    65.00000  118.87000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    53    54    70.00000  124.00000
   55    63    64    37.50000  110.70000
   55    63    66    63.00000  111.10000
   57    55    56    33.00000  107.80000
   63    44    48    70.00000  112.02700
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    66    67    80.00000  120.40000
   63    66    39    70.00000  116.00000
   66    63    64    35.00000  109.50000
   66    39    40    90.00000  108.74100
   66    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    66    67    80.00000  120.40000
   41    39    40    45.00000  125.66300
   50    44    48    90.00000  110.39200
   50    44    63    50.00000  109.50000
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    45    46    35.00000  119.80000
   42    45    47    35.00000  119.80000
   45    42    43    80.00000  122.90000
   47    45    46    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    45   0.00000  1.0 1.0
   33    37    44    48   0.65300  1.0 1.0
   33    37    44    48  -0.03850 -1.0 2.0
   33    37    44    48   0.33900  1.0 3.0
   33    37    44    63   0.60050  1.0 1.0
   33    37    44    63   0.05600 -1.0 2.0
   33    37    44    63   0.26150  1.0 3.0
   33    37    44    50   0.55300  1.0 1.0
   33    37    44    50   1.25850 -1.0 2.0
   33    37    44    50  -0.23600  1.0 3.0
   33    42    45    46   2.45000 -1.0 2.0
   33    42    45    47   2.45000 -1.0 2.0
   37    33    39    66   0.11950  1.0 1.0
   37    33    39    66   0.20300 -1.0 2.0
   37    33    39    66  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    45   0.00000  1.0 1.0
   37    44    48    49   0.09700  1.0 1.0
   37    44    48    49   0.15600 -1.0 2.0
   37    44    48    49  -0.50800  1.0 3.0
   37    44    48    52  -0.51250  1.0 1.0
   37    44    48    52  -0.88800 -1.0 2.0
   37    44    48    52   0.08850  1.0 3.0
   37    44    63    55  -0.95700  1.0 1.0
   37    44    63    55  -0.18200 -1.0 2.0
   37    44    63    55   0.29450  1.0 3.0
   37    44    63    64  -0.11250  1.0 3.0
   37    44   -63    66   0.11950  1.0 1.0
   37    44   -63    66   0.20300 -1.0 2.0
   37    44   -63    66  -0.70800  1.0 3.0
   37    44    50    51   0.91850  1.0 1.0
   37    44    50    51   0.57950  1.0 3.0
   38    37    44    48   0.30150 -1.0 2.0
   38    37    44    63   0.30150 -1.0 2.0
   38    37    44    50   0.30150 -1.0 2.0
   44    48    52    53   7.00000 -1.0 2.0
   44    48    52    68   7.00000 -1.0 2.0
   44    63    66    67   0.30150 -1.0 2.0
   44    63    66    39   0.60050  1.0 1.0
   44    63    66    39   0.05600 -1.0 2.0
   44    63    66    39   0.26150  1.0 3.0
   48    44    63    55   0.34400  1.0 1.0
   48    44    63    55   0.09450 -1.0 2.0
   48    44    63    55   0.11100  1.0 3.0
   48    44    63    64   0.15000  1.0 3.0
   48    44    63    66  -0.98800  1.0 1.0
   48    44    63    66   0.48800 -1.0 2.0
   48    44    63    66   0.76800  1.0 3.0
   48    44    50    51  -0.07800  1.0 1.0
   48    44    50    51  -0.21500 -1.0 2.0
   48    44    50    51  -0.03150  1.0 3.0
   48    52    53    54   0.28850  1.0 1.0
   48    52    53    54   2.61350 -1.0 2.0
   48    52    53    54   0.78400  1.0 3.0
   48    52   -53    55  -0.18600  1.0 3.0
   48    52    68    65  -1.65800  1.0 1.0
   48    52    68    65   0.77650 -1.0 2.0
   48    52    68    69   1.00000 -1.0 2.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    68   7.00000 -1.0 2.0
   52    53    54    58   7.00000 -1.0 2.0
   52    53    54    59   7.00000 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    57   0.00000  1.0 1.0
   52    53    55    63   0.98200  1.0 1.0
   52    53    55    63  -0.11900 -1.0 2.0
   52    53    55    63   0.24250  1.0 3.0
   53    52    68    65  -1.65800  1.0 1.0
   53    52    68    65   0.77650 -1.0 2.0
   53    52    68    69   1.00000 -1.0 2.0
   53    54   -58    65   0.15800  1.0 1.0
   53    54   -58    65   1.85350 -1.0 2.0
   53    54   -58    65  -0.48700  1.0 3.0
   53    54    58    77   0.15800  1.0 1.0
   53    54    58    77   1.85350 -1.0 2.0
   53    54    58    77  -0.48700  1.0 3.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    62   0.00000  1.0 1.0
   53    55   -63    44   0.34400  1.0 1.0
   53    55   -63    44   0.09450 -1.0 2.0
   53    55   -63    44   0.11100  1.0 3.0
   53    55    63    64   0.15000  1.0 3.0
   53    55    63    66  -0.98800  1.0 1.0
   53    55    63    66   0.48800 -1.0 2.0
   53    55    63    66   0.76800  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    63   0.09850  1.0 1.0
   54    53    55    63   0.15250 -1.0 2.0
   54    53    55    63  -0.50650  1.0 3.0
   54    58    65    68   3.62500 -1.0 2.0
   54    58    65    70   3.62500 -1.0 2.0
   54    58    77    75   3.62500 -1.0 2.0
   54    58    77    78   3.62500 -1.0 2.0
   58    54    59    60   0.77000  1.0 3.0
   58    54    59    61   0.77000  1.0 3.0
   58    54    59    62   0.77000  1.0 3.0
   58    65   -68    52  -0.11500  1.0 1.0
   58    65   -68    52   1.10450 -1.0 2.0
   58    65   -68    52  -0.48050  1.0 3.0
   58    65    68    69   1.05000 -1.0 2.0
   58    65    70    71   3.62500 -1.0 2.0
   58    65    70    73   3.62500 -1.0 2.0
   65    58    77    75   3.62500 -1.0 2.0
   65    58    77    78   3.62500 -1.0 2.0
   65    70    71    72   3.62500 -1.0 2.0
   65    70   -71    75   3.62500 -1.0 2.0
   65    70    73    74   0.84100 -1.0 2.0
   68    52   -53    54  -0.18600  1.0 3.0
   68    52    53    55   1.08500 -1.0 2.0
   68    65    70    71   3.62500 -1.0 2.0
   68    65    70    73   3.62500 -1.0 2.0
   70    65    68    52  -0.11500  1.0 1.0
   70    65    68    52   1.10450 -1.0 2.0
   70    65    68    52  -0.48050  1.0 3.0
   70    65    68    69   1.05000 -1.0 2.0
   70    71    75    76   3.62500 -1.0 2.0
   70    71    75    77   3.62500 -1.0 2.0
   71    70    73    74   0.84100 -1.0 2.0
   71    75   -77    58   3.62500 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   76    75    77    58   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    58    65    68   3.62500 -1.0 2.0
   77    58   -65    70   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    75   3.62500 -1.0 2.0
   59    54    58    65  -0.02500  1.0 1.0
   59    54    58    65  -0.32150 -1.0 2.0
   59    54    58    65  -0.01500  1.0 3.0
   59    54    58    77  -0.02500  1.0 1.0
   59    54    58    77  -0.32150 -1.0 2.0
   59    54    58    77  -0.01500  1.0 3.0
   55    53    54    58   7.00000 -1.0 2.0
   55    53    54    59   7.00000 -1.0 2.0
   55    63    66    67   0.30150 -1.0 2.0
   55    63    66    39   0.60050  1.0 1.0
   55    63    66    39   0.05600 -1.0 2.0
   55    63    66    39   0.26150  1.0 3.0
   56    55    63    44   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    66  -0.11250  1.0 3.0
   57    55    63    44   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    66  -0.11250  1.0 3.0
   63    44    48    49   0.09700  1.0 1.0
   63    44    48    49   0.15600 -1.0 2.0
   63    44    48    49  -0.50800  1.0 3.0
   63    44   -48    52   0.09850  1.0 1.0
   63    44   -48    52   0.15250 -1.0 2.0
   63    44   -48    52  -0.50650  1.0 3.0
   63    44    50    51  -0.11600  1.0 1.0
   63    44    50    51  -0.09450 -1.0 2.0
   63    44    50    51   0.21250  1.0 3.0
   63    66   -39    33   0.60050  1.0 1.0
   63    66   -39    33   0.05600 -1.0 2.0
   63    66   -39    33   0.26150  1.0 3.0
   63    66    39    40   0.55300  1.0 1.0
   63    66    39    40   1.25850 -1.0 2.0
   63    66    39    40  -0.23600  1.0 3.0
   63    66    39    41   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    39   0.00000  1.0 1.0
   67    66    39    33   0.30150 -1.0 2.0
   67    66    39    40   0.30150 -1.0 2.0
   67    66    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    45   1.39750  1.0 1.0
   39    33    42    45  -0.07950 -1.0 2.0
   39    33    42    45  -0.18750  1.0 3.0
   50    44    48    49   0.09700  1.0 1.0
   50    44    48    49   0.15600 -1.0 2.0
   50    44    48    49  -0.50800  1.0 3.0
   50    44    48    52   0.67800  1.0 1.0
   50    44    48    52   0.47050 -1.0 2.0
   50    44    48    52  -0.62500  1.0 3.0
   50    44    63    55   0.86500  1.0 1.0
   50    44    63    55  -0.17500 -1.0 2.0
   50    44    63    55   0.20800  1.0 3.0
   50    44    63    64   0.23400  1.0 3.0
   50    44    63    66  -0.09450  1.0 1.0
   50    44    63    66  -1.12950 -1.0 2.0
   50    44    63    66   0.54000  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    66   0.11950  1.0 1.0
   42    33    39    66   0.20300 -1.0 2.0
   42    33    39    66  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    47   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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    49    48    52   1.10000 -1.0 2.0
   53    68    52    48   1.10000 -1.0 2.0
   52    55    53    54   1.10000 -1.0 2.0
   58    59    54    53   1.10000 -1.0 2.0
   65    77    58    54   4.00000 -1.0 2.0
   68    70    65    58   4.00000 -1.0 2.0
   52    65    68    69  10.50000 -1.0 2.0
   71    73    70    65   4.00000 -1.0 2.0
   75    72    71    70   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   75    78    77    58   4.00000 -1.0 2.0
   63    39    66    67  10.50000 -1.0 2.0
   33    45    42    43  10.50000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
END
