* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    233     442
    1     0 S   NP   _N1_     1    29.51490    96.73359   -18.07220
    2     1 S   H    _HN1     2     1.02958    87.86268    27.41136
    3     1 S   H    _H1_     3     1.02838    53.19304   140.58705
    4     1 S   H    _H2_     4     1.02778    67.81808   -83.40841
    5     1 S   CT   _CA1     5     1.50111   159.68239  -177.82354
    6     5 S   HC   _HA1     6     1.09563   105.27263    24.56143
    7     5 S   CO3  _C1_     7     1.53876   112.39304   -95.80756
    8     7 S   O2Z  _O11     8     1.26377   114.98730   -41.69477
    9     7 S   O2Z  _O12     9     1.26230   115.01737   137.65516
   10     5 S   CT   _CB1    10     1.53125   107.45325   142.70469
   11    10 S   HC   HB11    11     1.09815   109.62254   -48.43798
   12    10 S   HC   HB12    12     1.09818   110.32159    68.22330
   13    10 S   CT   _CG1    13     1.52955   112.52365  -169.44264
   14    13 S   HC   HG11    14     1.09418   110.45326   -58.35271
   15    13 S   HC   HG12    15     1.09643   110.02959    60.52214
   16    13 S   C    _CD1    16     1.51789   112.32965  -179.31101
   17    16 S   O    _OE1    17     1.22716   123.20594   -11.48875
   18    16 S   N    _N2_    18     1.38521   111.63558   169.55304
   19    18 S   H    _HN2    19     1.01672   118.97535    -0.89043
   20    18 S   CT1  _CA2    20     1.46091   123.59386   178.04455
   21    20 S   HC   _HA2    21     1.09713   109.50187   -11.55418
   22    20 S   C    _C2_    22     1.53569   107.99098  -127.12451
   23    22 S   O    _O2_    23     1.23026   122.22626  -146.61945
   24    20 S   CT   _CB2    32     1.53290   111.50962   111.04575
   25    24 S   HC   HB21    33     1.09038   109.42624    53.70430
   26    24 S   HC   HB22    34     1.09521   110.40731   171.14674
   27    22 S   N    _N3_    24     1.38490   113.45032    40.75654
   28    27 S   H    _HN3    25     1.01517   118.92127    -0.93188
   29    24 S   S    _SG2    35     1.82808   112.56680   -70.46286
   30    27 S   CT   _CA3    26     1.45456   123.57257   175.33075
   31    30 S   HC   HA31    27     1.09513   109.39296    21.16455
   32    30 S   HC   HA32    28     1.09499   107.07597   138.17978
   33    29 S   CT   _C18    36     1.86095   101.60492   125.99721
   34    30 S   CO3  _C3_    29     1.52919   113.02290  -102.43189
   35    34 S   O2Z  _O31    30     1.26414   115.38626   -44.91154
   36    34 S   O2Z  _O32    31     1.26354   115.01589   136.00141
   37    33 S   CM   _C5_    37     1.53778   107.96083   -78.82777
   38    33 S   CT   _C13    59     1.53633   106.89759   156.91451
   39    38 S   HC   _H32    60     1.09017   115.89678    90.37058
   40    38 S   HC   _H33    61     1.09661   112.94712   -37.25178
   41    33 S   OS   _O24    62     1.43012   110.16846    45.50299
   42    37 S   CM   _C4_    38     1.35307   130.28079   106.61132
   43    42 S   HC   _H27    39     1.09586   113.93871  -178.95977
   44    37 S   CT   _C20    78     1.52726   114.48132   -72.87915
   45    44 S   HC   _H39    79     1.09448   110.27836   -76.10247
   46    44 S   HC   _H40    80     1.09490   112.73011   164.54668
   47    44 S   HC   _H41    81     1.09371   111.78362    45.04656
   48    42 S   CT   _C15    40     1.50598   138.95721     2.08272
   49    48 S   HC   _H36    41     1.10157   104.38588   136.78528
   50    48 S   CT   _C16    42     1.52555   125.66440    11.08095
   51    50 S   HC   _H37    43     1.09015   111.64987   -50.55722
   52    50 S   CM   _C6_    44     1.50084    98.77381  -158.42385
   53    50 S   CT   _C17    51     1.54263   115.31444    76.35783
   54    53 S   HC   _H38    52     1.09710   108.42082   177.16897
   55    52 S   CO4  _C7_    45     1.47995   107.78321    28.21411
   56    55 S   O    _O20    46     1.21693   127.27200   166.74669
   57    52 S   CM   _C9_    48     1.33573   130.63965  -150.93064
   58    57 S   HC   _H28    49     1.08442   121.35087    -0.80333
   59    57 S   HC   _H29    50     1.08541   121.56193   179.46332
   60    53 S   CT   _C14    53     1.54049   114.58636   -60.26403
   61    60 S   HC   _H34    54     1.09731   108.66063    66.09930
   62    60 S   HC   _H35    55     1.09884   109.05138   177.95694
   63    53 S   OS   _O25    67     1.45128   107.97193    58.94019
   64    48 S   OS   _O23    47     1.44738   107.11492  -111.82772
   65    60 S   CT   _C19    56     1.53034   115.59851   -58.89084
   66    63 S   CO4  _C12    68     1.35910   118.00382   149.34766
   67    66 S   O    _O22    69     1.22212   126.01780     0.77481
   68    65 S   CO4  _C8_    57     1.50736   111.04888   163.04377
   69    68 S   O    _O21    58     1.22382   124.81290    61.41817
   70    65 S   CT   _C22    63     1.52199   113.15031   -71.35104
   71    70 S   HC   _H45    64     1.09506   111.22582    65.12439
   72    70 S   HC   _H46    65     1.09489   111.57579   -56.56759
   73    70 S   HC   _H47    66     1.09654   110.88751  -176.69121
   74    66 S   CM   _C11    70     1.48951   109.31359  -179.12553
   75    74 S   CM   _C10    71     1.34136   117.42960  -178.25920
   76    75 S   HC   _H30    72     1.08557   120.95365  -179.90513
   77    75 S   HC   _H31    73     1.08537   122.48057     0.13562
   78    74 S   CT   _C21    74     1.49810   120.06860     1.93866
   79    78 S   HC   _H42    75     1.09501   110.59663   -60.97595
   80    78 S   HC   _H43    76     1.09509   110.57675    59.50367
   81    78 S   HC   _H44    77     1.09535   111.88978   179.24437
  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  10   5   4   3
  17   2   1   1  16  10   5   4  13  13   5   4   2   1   1  12
   6  16   8  10  14   6   5   2   3   1   1  11   5   4   6   1
   6   9   3   5   1   3   2   1   1   7   6   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    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    65    68    38    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    60    65    68    69    38    39    40    41    70    44    45    46    47  
   35    36  
   36  
    0  
   42    43    48    49    50    64    65    68    38    39    40    41    44    45    46    47  
   39    40    41    70    44    42    60    65    68    69  
   40    41    65    68    69  
   41    65    68    69  
   70    71    72    73    44    42    53    60    61    62    65    68    69  
   43    48    49    50    51    52    55    64    53    44    45    46    47  
   48    49    50    64    44  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    52    55    56    64    57    53    54    60    63  
   50    51    52    55    64    53  
   51    52    55    56    64    57    58    59    53    54    60    61    62    65    63    66  
   52    55    64    57    53    54    60    63  
   55    56    64    57    58    59    53    54    60    63  
   54    60    61    62    65    68    70    63    66    67    74    55    57    64  
   60    61    62    65    63    66  
   56    64    57    58    59  
   64    57  
   58    59    64  
   59  
    0  
   61    62    65    68    69    70    71    72    73    63    66  
   62    65    68    70    63  
   65    68    70    63  
   66    67    74    75    78    65  
    0  
   68    69    70    71    72    73  
   67    74    75    76    77    78    79    80    81  
   74    75    78  
   69    70    71    72    73  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   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  -0.316400   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   0.417900   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   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    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  1.510
   33    38   268.000  1.529
   33    41   320.000  1.410
   37    42   549.000  1.340
   37    44   317.000  1.510
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    64   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    64   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    68   317.000  1.522
   65    41   320.000  1.410
   65    70   268.000  1.529
   68    69   570.000  1.229
   68    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   63    66   214.000  1.327
   66    67   570.000  1.229
   66    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    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  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    38    68    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    65    60.00000  109.50000
   37    42    43    35.00000  120.00000
   37    42    48    70.00000  124.00000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    64    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.02700
   48    50    53    58.35000  112.70000
   48    64    55    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    52    55    65.00000  116.34900
   50    52    57    70.00000  124.00000
   50    53    54    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    53    63    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    64    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   64    48    49    35.00000  109.50000
   64    48    50    50.00000  109.50000
   64    55    56    83.00000  123.40000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    65    58.35000  112.70000
   53    63    66    83.00000  116.90000
   60    53    54    37.50000  110.70000
   60    65    68    63.00000  111.10000
   60    65    41    50.00000  109.50000
   60    65    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    68    69    80.00000  120.40000
   65    68    38    70.00000  116.00000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    38    39    35.00000  109.50000
   68    38    40    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    68    69    80.00000  120.40000
   40    38    39    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    38    50.00000  109.50000
   41    65    68    90.00000  108.74100
   70    65    68    63.00000  111.10000
   70    65    41    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   63    53    54    35.00000  109.50000
   63    53    60    50.00000  109.50000
   63    66    67    83.00000  123.40000
   63    66    74    90.00000  111.29400
   66    74    75    65.00000  118.96000
   66    74    78    65.00000  116.34900
   74    66    67    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   44    37    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    38    68   0.56750  1.0 1.0
   29    33    38    68  -0.07550 -1.0 2.0
   29    33    38    68   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    41    65   0.14700  1.0 1.0
   29    33    41    65  -1.16150 -1.0 2.0
   29    33    41    65   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   37    33    38    68  -0.98800  1.0 1.0
   37    33    38    68   0.48800 -1.0 2.0
   37    33    38    68   0.76800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    41    65  -0.77900  1.0 1.0
   37    33    41    65  -0.36900 -1.0 2.0
   37    33    41    65   0.40400  1.0 3.0
   37    42    48    49   0.00000  1.0 1.0
   37    42    48    50   0.09850  1.0 1.0
   37    42    48    50   0.15250 -1.0 2.0
   37    42    48    50  -0.50650  1.0 3.0
   37    42    48    64   0.39000  1.0 1.0
   37    42    48    64  -0.05800 -1.0 2.0
   37    42    48    64  -0.55150  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    47   0.00000  1.0 1.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    52   0.31000  1.0 1.0
   42    48    50    52   0.14700 -1.0 2.0
   42    48    50    52   0.07550  1.0 3.0
   42    48    50    53   0.34400  1.0 1.0
   42    48    50    53   0.09450 -1.0 2.0
   42    48    50    53   0.11100  1.0 3.0
   42    48    64    55  -0.82050  1.0 1.0
   42    48    64    55   0.00600 -1.0 2.0
   42    48    64    55   0.04400  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    64   0.00000  1.0 1.0
   48    50   -52    55   0.09700  1.0 1.0
   48    50   -52    55   0.15600 -1.0 2.0
   48    50   -52    55  -0.50800  1.0 3.0
   48    50    52    57   0.09850  1.0 1.0
   48    50    52    57   0.15250 -1.0 2.0
   48    50    52    57  -0.50650  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    60   0.56750  1.0 1.0
   48    50    53    60  -0.07550 -1.0 2.0
   48    50    53    60   0.20000  1.0 3.0
   48    50    53    63   0.62750  1.0 1.0
   48    50    53    63  -0.30950 -1.0 2.0
   48    50    53    63   0.27300  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    53   0.15000  1.0 3.0
   49    48    64    55   0.08050  1.0 3.0
   50    48   -64    55  -0.25900  1.0 1.0
   50    48   -64    55  -0.47000 -1.0 2.0
   50    48   -64    55   0.11750  1.0 3.0
   50    52    55    56  -0.64400  1.0 1.0
   50    52    55    56   0.26850 -1.0 2.0
   50    52   -55    64  -0.15000  1.0 1.0
   50    52   -55    64   0.89550 -1.0 2.0
   50    52   -55    64  -0.06900  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    59   7.00000 -1.0 2.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    65   0.56750  1.0 1.0
   50    53    60    65  -0.07550 -1.0 2.0
   50    53    60    65   0.20000  1.0 3.0
   50    53    63    66  -0.25900  1.0 1.0
   50    53    63    66  -0.47000 -1.0 2.0
   50    53    63    66   0.11750  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    53    63   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    60   0.34400  1.0 1.0
   52    50    53    60   0.09450 -1.0 2.0
   52    50    53    60   0.11100  1.0 3.0
   52    50    53    63   0.61850  1.0 1.0
   52    50    53    63  -0.22750 -1.0 2.0
   52    50    53    63   0.15300  1.0 3.0
   52    55   -64    48   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   56    55    64    48   3.00000 -1.0 2.0
   64    48    50    51   0.23400  1.0 3.0
   64    48   -50    52   0.61850  1.0 1.0
   64    48   -50    52  -0.22750 -1.0 2.0
   64    48   -50    52   0.15300  1.0 3.0
   64    48    50    53   0.62750  1.0 1.0
   64    48    50    53  -0.30950 -1.0 2.0
   64    48    50    53   0.27300  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    64  -0.56150  1.0 1.0
   57    52    55    64   2.19150 -1.0 2.0
   53    50    52    55   0.09700  1.0 1.0
   53    50    52    55   0.15600 -1.0 2.0
   53    50    52    55  -0.50800  1.0 3.0
   53    50    52    57   0.09850  1.0 1.0
   53    50    52    57   0.15250 -1.0 2.0
   53    50    52    57  -0.50650  1.0 3.0
   53    60    65    68  -0.95700  1.0 1.0
   53    60    65    68  -0.18200 -1.0 2.0
   53    60    65    68   0.29450  1.0 3.0
   53    60    65    41   0.62750  1.0 1.0
   53    60    65    41  -0.30950 -1.0 2.0
   53    60    65    41   0.27300  1.0 3.0
   53    60    65    70   0.56750  1.0 1.0
   53    60    65    70  -0.07550 -1.0 2.0
   53    60    65    70   0.20000  1.0 3.0
   53    63    66    67   3.00000 -1.0 2.0
   53    63    66    74   2.00000 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    65   0.15000  1.0 3.0
   54    53    63    66   0.08050  1.0 3.0
   60    53    63    66  -0.25900  1.0 1.0
   60    53    63    66  -0.47000 -1.0 2.0
   60    53    63    66   0.11750  1.0 3.0
   60    65    68    69   0.30150 -1.0 2.0
   60    65    68    38   0.60050  1.0 1.0
   60    65    68    38   0.05600 -1.0 2.0
   60    65    68    38   0.26150  1.0 3.0
   60    65    41    33   0.06250  1.0 1.0
   60    65    41    33  -0.01100 -1.0 2.0
   60    65    41    33   0.28050  1.0 3.0
   60    65    70    71   0.15000  1.0 3.0
   60    65    70    72   0.15000  1.0 3.0
   60    65    70    73   0.15000  1.0 3.0
   61    60    65    68  -0.11250  1.0 3.0
   61    60    65    41   0.23400  1.0 3.0
   61    60    65    70   0.15000  1.0 3.0
   62    60    65    68  -0.11250  1.0 3.0
   62    60    65    41   0.23400  1.0 3.0
   62    60    65    70   0.15000  1.0 3.0
   65    68   -38    33   0.60050  1.0 1.0
   65    68   -38    33   0.05600 -1.0 2.0
   65    68   -38    33   0.26150  1.0 3.0
   65    68    38    39   0.00000  1.0 1.0
   65    68    38    40   0.00000  1.0 1.0
   68    65   -41    33  -1.11000  1.0 1.0
   68    65   -41    33   0.50250 -1.0 2.0
   68    65   -41    33   0.47450  1.0 3.0
   68    65    70    71  -0.11250  1.0 3.0
   68    65    70    72  -0.11250  1.0 3.0
   68    65    70    73  -0.11250  1.0 3.0
   69    68    38    33   0.30150 -1.0 2.0
   69    68    38    39   0.00000  1.0 1.0
   69    68    38    40   0.00000  1.0 1.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33   -41    65   0.06250  1.0 1.0
   38    33   -41    65  -0.01100 -1.0 2.0
   38    33   -41    65   0.28050  1.0 3.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    37    44   0.09700  1.0 1.0
   41    33    37    44   0.15600 -1.0 2.0
   41    33    37    44  -0.50800  1.0 3.0
   41    33   -38    68  -0.09450  1.0 1.0
   41    33   -38    68  -1.12950 -1.0 2.0
   41    33   -38    68   0.54000  1.0 3.0
   41    33    38    39   0.23400  1.0 3.0
   41    33    38    40   0.23400  1.0 3.0
   41    65    68    69   0.30150 -1.0 2.0
   41    65   -68    38   0.55300  1.0 1.0
   41    65   -68    38   1.25850 -1.0 2.0
   41    65   -68    38  -0.23600  1.0 3.0
   41    65    70    71   0.23400  1.0 3.0
   41    65    70    72   0.23400  1.0 3.0
   41    65    70    73   0.23400  1.0 3.0
   70    65    68    69   0.30150 -1.0 2.0
   70    65    68    38   0.60050  1.0 1.0
   70    65    68    38   0.05600 -1.0 2.0
   70    65    68    38   0.26150  1.0 3.0
   70    65    41    33   0.06250  1.0 1.0
   70    65    41    33  -0.01100 -1.0 2.0
   70    65    41    33   0.28050  1.0 3.0
   63    53    60    61   0.23400  1.0 3.0
   63    53    60    62   0.23400  1.0 3.0
   63    53    60    65   0.62750  1.0 1.0
   63    53    60    65  -0.30950 -1.0 2.0
   63    53    60    65   0.27300  1.0 3.0
   63    66    74    75  -0.56150  1.0 1.0
   63    66    74    75   2.19150 -1.0 2.0
   63    66    74    78  -0.15000  1.0 1.0
   63    66    74    78   0.89550 -1.0 2.0
   63    66    74    78  -0.06900  1.0 3.0
   66    74    75    76   7.00000 -1.0 2.0
   66    74    75    77   7.00000 -1.0 2.0
   66    74    78    79   0.15000  1.0 3.0
   66    74    78    80   0.15000  1.0 3.0
   66    74    78    81   0.15000  1.0 3.0
   67    66    74    75   1.00000 -1.0 2.0
   67    66    74    78  -0.64400  1.0 1.0
   67    66    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    48   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   50    55    52    57   1.10000 -1.0 2.0
   52    64    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   65    38    68    69  10.50000 -1.0 2.0
   63    74    66    67  10.50000 -1.0 2.0
   66    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
