* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    140    216     411
    1     0 S   NP   _N1_     1    28.49209    97.74469   -19.50060
    2     1 S   H    _HN1     2     1.02955    69.01170    -5.87997
    3     1 S   H    _H1_     3     1.02840    50.74611   130.28437
    4     1 S   H    _H2_     4     1.02787    89.27674  -115.77460
    5     1 S   CT   _CA1     5     1.50101   156.57534    87.40050
    6     5 S   HC   _HA1     6     1.09590   105.22514    93.64207
    7     5 S   CO3  _C1_     7     1.53952   112.14838   -26.27954
    8     7 S   O2Z  _O11     8     1.26333   115.04297   -51.26363
    9     7 S   O2Z  _O12     9     1.26321   115.04244   127.85840
   10     5 S   CT   _CB1    10     1.53241   107.33803  -148.78680
   11    10 S   HC   HB11    11     1.09808   109.55065   -52.46572
   12    10 S   HC   HB12    12     1.09803   110.46027    64.26927
   13    10 S   CT   _CG1    13     1.52820   112.22289  -173.51817
   14    13 S   HC   HG11    14     1.09305   109.70833   -63.68414
   15    13 S   HC   HG12    15     1.09643   110.01974    55.33779
   16    13 S   C    _CD1    16     1.51728   113.06720   176.78667
   17    16 S   O    _OE1    17     1.22721   123.35276     4.56553
   18    16 S   N    _N2_    18     1.38635   111.54448  -175.98775
   19    18 S   H    _HN2    19     1.01550   118.85511     5.53212
   20    18 S   CT1  _CA2    20     1.45711   122.99877   178.77635
   21    20 S   HC   _HA2    21     1.09715   108.77809    27.72999
   22    20 S   C    _C2_    22     1.52934   106.92974   -89.48982
   23    22 S   O    _O2_    23     1.22961   122.89172   -28.48284
   24    20 S   CT   _CB2    32     1.53279   112.51010   151.13741
   25    24 S   HC   HB21    33     1.09483   110.54089    56.95794
   26    24 S   HC   HB22    34     1.09567   110.11198   174.37071
   27    22 S   N    _N3_    24     1.38610   112.42296   154.53366
   28    27 S   H    _HN3    25     1.01493   119.75425     0.78285
   29    24 S   S    _SG2    35     1.82862   111.84669   -67.03015
   30    27 S   CT   _CA3    26     1.45438   122.72355   175.20213
   31    30 S   HC   HA31    27     1.09545   108.83822    32.43022
   32    30 S   HC   HA32    28     1.09476   107.20381   149.54541
   33    29 S   CT   _C16    36     1.84290   100.38311   125.19019
   34    33 S   HC   _H3_    37     1.09717   106.99231    45.23753
   35    30 S   CO3  _C3_    29     1.53069   113.65988   -90.48869
   36    35 S   O2Z  _O31    30     1.26371   115.84916   -30.60390
   37    35 S   O2Z  _O32    31     1.26417   114.66527   150.24579
   38    33 S   CA   _C17    38     1.51959   111.27287   -74.56167
   39    33 S   CT   _C15    50     1.53981   108.40624   160.89053
   40    39 S   HC   _H12    51     1.09739   111.04200   -57.92195
   41    39 S   HC   _H13    52     1.09562   110.84999    60.91353
   42    38 S   CA   _C18    39     1.40487   119.61993   112.34139
   43    42 S   HA   _H14    40     1.08757   120.40097     0.11014
   44    39 S   CO4  _C14    53     1.52023   110.75083  -176.37636
   45    44 S   O    _O34    54     1.22777   122.79878    56.16108
   46    42 S   CA   _C19    41     1.39563   120.79471  -179.43768
   47    46 S   HA   _H15    42     1.08615   119.89429   179.15744
   48    44 S   CA   _C12    55     1.48057   118.05575  -119.77510
   49    46 S   CA   _C20    43     1.39005   119.60182    -0.06853
   50    48 S   CA   _C11    56     1.39680   120.53236   -55.30673
   51    49 S   CA   _C21    44     1.39115   120.71423    -1.26517
   52    51 S   HA   _H16    45     1.08635   120.88471  -179.42291
   53    49 S   OH   _O35    48     1.36589   118.32408   177.91362
   54    53 S   HO   _H18    49     0.97671   108.41189  -165.07124
   55    50 S   CA   _C10    57     1.39348   120.30315   176.51418
   56    55 S   HA   _H10    58     1.08649   120.23964  -179.65113
   57    50 S   OH   _O36    80     1.36808   119.94948    -4.34073
   58    57 S   HO   _H19    81     0.97253   109.04887  -179.26193
   59    38 S   CA   _C22    46     1.40527   121.87930   -68.03510
   60    59 S   HA   _H17    47     1.08713   120.70087     0.39017
   61    55 S   CA   _C9_    59     1.39719   119.58033     0.00000
   62    61 S   CA   _C8_    60     1.40424   121.48212     1.25757
   63    61 S   OH   _O37    78     1.36999   119.30449  -178.90747
   64    63 S   HO   _H20    79     0.97209   109.06906     0.95900
   65    48 S   CA   _C13    61     1.40435   119.76033   123.05817
   66    62 S   CT   _C7_    64     1.51519   121.01664  -178.21096
   67    66 S   HC   _H8_    65     1.09780   109.43860  -143.45572
   68    66 S   HC   _H9_    66     1.09396   110.22989   -29.95899
   69    65 S   OH   _O33    62     1.37241   121.55002     2.89124
   70    69 S   HO   _H11    63     0.97264   109.57904     9.73621
   71    66 S   CM   _C6_    67     1.50513   112.10599    96.12829
   72    71 S   HC   _H7_    68     1.09004   113.92805    70.61680
   73    71 S   CM   _C5_    69     1.34672   128.40239  -110.22406
   74    73 S   CT   _C4_    70     1.50634   120.30559  -179.83929
   75    74 S   HC   _H4_    71     1.09493   110.24892   120.74152
   76    74 S   HC   _H5_    72     1.09497   110.24051  -119.41845
   77    74 S   HC   _H6_    73     1.09468   112.46166     0.66969
   78    73 S   CT   _C23    74     1.50208   125.44508     0.64285
   79    78 S   HC   _H21    75     1.09517   110.01991   119.54326
   80    78 S   HC   _H22    76     1.09517   110.03222  -121.22187
   81    78 S   HC   _H23    77     1.09124   113.73493    -0.87492
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  11
   6   9   5   3   2   1   9   4   3   1   1   1   9  11   3   1
   6   8   4   3   1   1  10   3   8   7   3   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    51    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    51    52    59    60    39    40    41    44  
   40    41    44    45    48    50    65    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    49    51    59    60    53  
   46    47    49    59  
   45    48    50    55    62    65    69    57  
   48    50    65  
   47    49    51    52    59    53    54  
   49    51    53  
   50    55    56    61    62    65    69    70    66    57    58  
   51    52    59    60    53    54  
   55    56    61    62    65    69    63    57    58  
   52    59    60    53    54  
   59    60    53  
   54    59  
    0  
   56    61    62    65    66    63    64    57    58  
   61    62    63    57  
   58    61    65  
    0  
   60  
    0  
   62    65    69    66    67    68    71    63    64  
   65    69    70    66    67    68    71    72    73    63    64  
   64    65    66  
    0  
   69    70    66    67    68    71  
   67    68    71    72    73    74    78    69  
   68    71    72    73  
   71    72    73  
   70  
    0  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    60   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   310.000  1.470
   48    50   469.000  1.400
   48    65   469.000  1.400
   50    55   469.000  1.400
   50    57   450.000  1.364
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    65   469.000  1.400
   62    66   317.000  1.510
   65    69   450.000  1.364
   69    70   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   63    64   553.000  0.945
   57    58   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    51    63.00000  120.00000
   38    59    60    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    51    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    59    63.00000  120.00000
   49    53    54    35.00000  113.00000
   51    59    60    35.00000  120.00000
   59    38    42    63.00000  120.00000
   59    51    52    35.00000  120.00000
   53    49    51    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    60.00000  119.52600
   44    48    65    60.00000  119.52600
   48    44    45    75.00000  123.78400
   48    50    55    63.00000  120.00000
   48    50    57    70.00000  120.00000
   48    65    62    63.00000  120.00000
   48    65    69    70.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    61    63.00000  120.00000
   50    57    58    35.00000  113.00000
   55    61    62    63.00000  120.00000
   55    61    63    70.00000  120.00000
   61    55    56    35.00000  120.00000
   61    62    65    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    64    35.00000  113.00000
   62    65    69    70.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    71    70.00000  112.99600
   65    48    50    63.00000  120.00000
   65    69    70    35.00000  113.00000
   66    62    65    70.00000  120.00000
   66    71    72    35.00000  117.00000
   66    71    73    70.00000  124.00000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   63    61    62    70.00000  120.00000
   57    50    55    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    51   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.05850 -1.0 2.0
   33    39    44    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    59    51   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46   -49    51   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    51    52   3.62500 -1.0 2.0
   46    49    51    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    51   -59    38   3.62500 -1.0 2.0
   49    51    59    60   3.62500 -1.0 2.0
   51    49    53    54   0.84100 -1.0 2.0
   52    51    59    38   3.62500 -1.0 2.0
   52    51    59    60   3.62500 -1.0 2.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    49    51    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    50   2.26350  1.0 1.0
   39    44    48    50   0.76750 -1.0 2.0
   39    44    48    50   0.22500  1.0 3.0
   39    44    48    65   2.26350  1.0 1.0
   39    44    48    65   0.76750 -1.0 2.0
   39    44    48    65   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    55   3.62500 -1.0 2.0
   44    48    50    57   3.62500 -1.0 2.0
   44    48    65    62   3.62500 -1.0 2.0
   44    48    65    69   3.62500 -1.0 2.0
   45    44    48    50   1.05000 -1.0 2.0
   45    44    48    65   1.05000 -1.0 2.0
   48    50    55    56   3.62500 -1.0 2.0
   48    50    55    61   3.62500 -1.0 2.0
   48    50    57    58   0.84100 -1.0 2.0
   48    65    69    70   0.84100 -1.0 2.0
   50    48    65    62   3.62500 -1.0 2.0
   50    48    65    69   3.62500 -1.0 2.0
   50    55   -61    62   3.62500 -1.0 2.0
   50    55    61    63   3.62500 -1.0 2.0
   55    50    57    58   0.84100 -1.0 2.0
   55    61    62    65   3.62500 -1.0 2.0
   55    61    62    66   3.62500 -1.0 2.0
   55    61    63    64   0.84100 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    55    61    63   3.62500 -1.0 2.0
   61    62   -65    48   3.62500 -1.0 2.0
   61    62    65    69   3.62500 -1.0 2.0
   61    62    66    67   0.00000  1.0 1.0
   61    62    66    68   0.00000  1.0 1.0
   61    62    66    71   0.18050 -1.0 2.0
   62    61    63    64   0.84100 -1.0 2.0
   62    65    69    70   0.84100 -1.0 2.0
   62    66    71    72   0.00000  1.0 1.0
   62    66    71    73   1.44450  1.0 1.0
   62    66    71    73   0.06600 -1.0 2.0
   62    66    71    73   0.29250  1.0 3.0
   65    48   -50    55   3.62500 -1.0 2.0
   65    48    50    57   3.62500 -1.0 2.0
   65    62    66    67   0.00000  1.0 1.0
   65    62    66    68   0.00000  1.0 1.0
   65    62    66    71   0.18050 -1.0 2.0
   66    62    65    48   3.62500 -1.0 2.0
   66    62    65    69   3.62500 -1.0 2.0
   66    71    73    74   7.00000 -1.0 2.0
   66    71    73    78   7.00000 -1.0 2.0
   67    66    71    72   0.33100  1.0 3.0
   67    66    71    73   0.00000  1.0 1.0
   68    66    71    72   0.33100  1.0 3.0
   68    66    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   63    61    62    65   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   57    50    55    56   3.62500 -1.0 2.0
   57    50    55    61   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   51    53    49    46   4.00000 -1.0 2.0
   59    52    51    49   1.10000 -1.0 2.0
   51    60    59    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    65    48    44   4.00000 -1.0 2.0
   55    57    50    48   4.00000 -1.0 2.0
   61    56    55    50   1.10000 -1.0 2.0
   62    63    61    55   4.00000 -1.0 2.0
   65    66    62    61   4.00000 -1.0 2.0
   62    69    65    48   4.00000 -1.0 2.0
   66    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
