* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    145    230     416
    1     0 S   NP   _N1_     1    28.15609    95.34519   -25.60432
    2     1 S   H    _HN1     2     1.02780   109.18155  -117.31740
    3     1 S   H    _H1_     3     1.02956    86.85917    -9.03335
    4     1 S   H    _H2_     4     1.02839    21.36473   152.58511
    5     1 S   CT   _CA1     5     1.50091   126.15396   104.13880
    6     5 S   HC   _HA1     6     1.09569   105.30643    76.35888
    7     5 S   CO3  _C1_     7     1.53862   112.16782   -44.01564
    8     7 S   O2Z  _O11     8     1.26369   115.04498   -49.08450
    9     7 S   O2Z  _O12     9     1.26221   114.90242   130.01418
   10     5 S   CT   _CB1    10     1.53074   107.43526  -165.67022
   11    10 S   HC   HB11    11     1.09829   109.67816   -50.19703
   12    10 S   HC   HB12    12     1.09760   110.22487    66.23934
   13    10 S   CT   _CG1    13     1.53016   112.53113  -171.08771
   14    13 S   HC   HG11    14     1.09589   110.69979   -58.69965
   15    13 S   HC   HG12    15     1.09643   109.80723    60.45619
   16    13 S   C    _CD1    16     1.51775   112.26118  -178.66382
   17    16 S   O    _OE1    17     1.22765   123.29401     5.35438
   18    16 S   N    _N2_    18     1.38550   111.77035  -175.59238
   19    18 S   H    _HN2    19     1.01562   119.16378     5.82517
   20    18 S   CT1  _CA2    20     1.45737   122.68047  -179.29446
   21    20 S   HC   _HA2    21     1.09745   108.66798    26.74616
   22    20 S   C    _C2_    22     1.52878   107.35642   -90.58286
   23    22 S   O    _O2_    23     1.22949   122.91399   -27.24701
   24    20 S   CT   _CB2    32     1.53268   112.48053   149.56127
   25    24 S   HC   HB21    33     1.09616   110.31080    59.11856
   26    24 S   HC   HB22    34     1.09601   109.90658   177.51069
   27    22 S   N    _N3_    24     1.38621   112.37208   155.82407
   28    27 S   H    _HN3    25     1.01489   119.75574     0.38664
   29    24 S   S    _SG2    35     1.82258   111.21784   -61.73625
   30    27 S   CT   _CA3    26     1.45431   122.72019   174.46374
   31    30 S   HC   HA31    27     1.09544   108.85117    32.43583
   32    30 S   HC   HA32    28     1.09475   107.18681   149.60662
   33    29 S   CM   _C24    36     1.73904   100.83783  -166.42984
   34    33 S   Br   Br1_    37     1.87473   115.00152   119.45591
   35    30 S   CO3  _C3_    29     1.53107   113.74174   -90.37489
   36    35 S   O2Z  _O31    30     1.26367   115.95539   -26.72854
   37    35 S   O2Z  _O32    31     1.26430   114.57760   154.07782
   38    33 S   CM   _C23    38     1.34631   121.81125   -62.28688
   39    38 S   HC   _H18    39     1.08777   117.36124     1.80732
   40    38 S   C3T  _C6_    40     1.47295   127.03513  -179.91153
   41    40 S   HC   _H3_    41     1.08862   112.28098   -49.45056
   42    40 S   C3T  _C7_    42     1.51314   121.56930    94.74480
   43    42 S   HC   _H4_    43     1.08803   115.26733  -141.40625
   44    40 S   C3T  _C5_    44     1.51951   122.25559   167.34409
   45    42 S   CO4  _C8_    53     1.48169   124.50216     3.78993
   46    45 S   O    _O33    54     1.22306   121.58367   127.67736
   47    44 S   CT   _C4_    45     1.51098   116.92364   142.24681
   48    47 S   HC   _H6_    46     1.09500   110.32152   153.45537
   49    47 S   HC   _H7_    47     1.09545   112.13287    33.35167
   50    47 S   HC   _H8_    48     1.09499   110.28052   -86.80099
   51    44 S   CT   _C25    49     1.51154   120.83022    -1.61774
   52    51 S   HC   _H19    50     1.09541   110.11932  -159.22921
   53    51 S   HC   _H20    51     1.09525   110.05382    81.78473
   54    51 S   HC   _H21    52     1.09418   113.40421   -38.99711
   55    45 S   OS   _O34    55     1.36126   112.07851   -55.04661
   56    55 S   CT   _C9_    56     1.44542   116.62143  -179.65452
   57    56 S   HC   _H5_    57     1.09773   108.93187    39.97232
   58    56 S   CZ   _C10    58     1.47484   110.44231   -79.83851
   59    58 S   NZ   _N4_    59     1.16067   179.56076    22.98166
   60    56 S   CA   _C11    60     1.51483   107.52171   157.60370
   61    60 S   CA   _C12    61     1.40302   120.16835  -115.00326
   62    61 S   HA   _H9_    62     1.08755   120.51860    -0.54104
   63    61 S   CA   _C13    63     1.39660   120.67354   179.00949
   64    63 S   HA   _H10    64     1.08648   119.88991  -179.51665
   65    63 S   CA   _C14    65     1.39331   120.19075     0.23573
   66    65 S   HA   _H11    66     1.08650   119.76551  -179.57756
   67    65 S   CA   _C15    67     1.39420   119.77570     0.67551
   68    60 S   CA   _C16    68     1.40430   121.17666    64.05545
   69    68 S   HA   _H12    69     1.08599   119.53809    -0.31341
   70    67 S   OS   _O35    70     1.37742   116.86331  -178.14470
   71    70 S   CA   _C17    71     1.37721   117.68785  -138.72129
   72    71 S   CA   _C18    72     1.39857   122.71215    48.29257
   73    72 S   HA   _H13    73     1.08618   121.09789    -1.55192
   74    72 S   CA   _C19    74     1.39501   119.67572   178.00208
   75    74 S   HA   _H14    75     1.08671   120.07607   179.59122
   76    74 S   CA   _C20    76     1.39476   120.06788    -0.90784
   77    76 S   HA   _H15    77     1.08553   119.84123  -179.53186
   78    76 S   CA   _C21    78     1.39463   120.17322    -0.07402
   79    78 S   HA   _H16    79     1.08631   119.93657  -179.76593
   80    71 S   CA   _C22    80     1.39645   116.93973  -135.42284
   81    80 S   HA   _H17    81     1.08646   120.44258     2.32364
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   7   3   2   1   1   9   4  15   6  14   6  11   8   2   7   3
   2   1   3   2   1   1   7  10   5   4   1   9   8   4   6   3
   6   3   6   3   1   7   9   8   4   6   3   5   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    51    45  
   40    41    42    44  
   41    42    43    44    47    48    49    50    51    52    53    54    45    46    55  
   42    43    44    47    51    45  
   43    44    47    48    49    50    51    52    53    54    45    46    55    56  
   44    47    51    45    46    55  
   47    48    49    50    51    52    53    54    45    46    55  
   46    55    56    57    58    60    47    51  
   55    56  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    68  
   57    58    59    60    61    62    63    67    68    69  
   58    59    60    61    68  
   59    60    61    68  
   60  
   61    62    63    64    65    67    68    69    70  
   62    63    64    65    66    67    68    69  
   63    64    65    68  
   64    65    66    67    68    70  
   65    66    67  
   66    67    68    69    70    71  
   67    68    70  
   68    69    70    71    72    80  
   69    70    71  
   70  
   71    72    73    74    78    80    81  
   72    73    74    75    76    78    79    80    81  
   73    74    75    76    77    78    80    81  
   74    75    76    80  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.187000   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   59   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   60   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   240.000  1.763
   33    34   165.000  1.979
   33    38   549.000  1.340
   38    39   340.000  1.080
   38    40   305.000  1.480
   40    41   340.000  1.088
   40    42   260.000  1.509
   40    44   260.000  1.509
   42    43   340.000  1.088
   42    44   260.000  1.509
   42    45   290.000  1.496
   44    47   275.000  1.510
   44    51   275.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   570.000  1.229
   45    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   390.000  1.470
   56    60   317.000  1.510
   58    59   650.000  1.157
   60    61   469.000  1.400
   60    68   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    70   450.000  1.364
   68    69   367.000  1.080
   70    71   450.000  1.364
   71    72   469.000  1.400
   71    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    65.00000  121.00000
   29    33    38    65.00000  122.11800
   33    38    39    35.00000  120.00000
   33    38    40    55.00000  125.06700
   38    33    34    65.00000  115.01300
   38    40    41    40.00000  112.45000
   38    40    42    60.00000  120.58800
   38    40    44    60.00000  120.58800
   40    38    39    40.00000  117.24000
   40    42    43    37.50000  117.20000
   40    42    44    10.00000   60.00500
   40    42    45    65.00000  117.18000
   40    44    42    10.00000   60.00500
   40    44    47    60.00000  120.94000
   40    44    51    60.00000  120.94000
   42    40    41    37.50000  117.20000
   42    44    47    60.00000  120.94000
   42    44    51    60.00000  120.94000
   42    45    46    75.00000  121.36600
   42    45    55    81.00000  111.40000
   44    40    41    37.50000  117.20000
   44    40    42    10.00000   60.00500
   44    42    43    37.50000  117.20000
   44    47    48    45.00000  109.38400
   44    47    49    45.00000  109.38400
   44    47    50    45.00000  109.38400
   44    51    52    45.00000  109.38400
   44    51    53    45.00000  109.38400
   44    51    54    45.00000  109.38400
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    44    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    42    43    40.00000  116.18000
   45    42    44    65.00000  117.18000
   45    55    56    83.00000  116.90000
   55    45    46    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  109.17800
   55    56    60    85.00000  111.85700
   56    58    59   150.00000  180.00000
   56    60    61    70.00000  120.00000
   56    60    68    70.00000  120.00000
   58    56    57    35.00000  108.50000
   60    56    57    35.00000  109.50000
   60    56    58    70.00000  111.71400
   60    61    62    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    68    67    63.00000  120.00000
   60    68    69    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    70    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    70    71    85.00000  114.70000
   68    60    61    63.00000  120.00000
   70    67    68    70.00000  120.00000
   70    71    72    70.00000  120.00000
   70    71    80    70.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    80    78    63.00000  120.00000
   71    80    81    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   80    71    72    63.00000  120.00000
   80    78    79    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.09850  1.0 1.0
   33    38    40    42   0.15250 -1.0 2.0
   33    38    40    42  -0.50650  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40   -42    44   0.34400  1.0 1.0
   38    40   -42    44   0.09450 -1.0 2.0
   38    40   -42    44   0.11100  1.0 3.0
   38    40    42    45  -0.98800  1.0 1.0
   38    40    42    45   0.48800 -1.0 2.0
   38    40    42    45   0.76800  1.0 3.0
   38    40   -44    42   0.34400  1.0 1.0
   38    40   -44    42   0.09450 -1.0 2.0
   38    40   -44    42   0.11100  1.0 3.0
   38    40    44    47   0.34400  1.0 1.0
   38    40    44    47   0.09450 -1.0 2.0
   38    40    44    47   0.11100  1.0 3.0
   38    40    44    51   0.34400  1.0 1.0
   38    40    44    51   0.09450 -1.0 2.0
   38    40    44    51   0.11100  1.0 3.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   40    42   -44    47   0.07850  1.0 1.0
   40    42   -44    47  -0.03950 -1.0 2.0
   40    42   -44    47   0.67350  1.0 3.0
   40    42   -44    51   0.07850  1.0 1.0
   40    42   -44    51  -0.03950 -1.0 2.0
   40    42   -44    51   0.67350  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    55   0.36750  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    50   0.15000  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    54   0.15000  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40   -42    44   0.15000  1.0 3.0
   41    40    42    45   0.15000  1.0 3.0
   41    40   -44    42   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   42    40   -44    47   0.07850  1.0 1.0
   42    40   -44    47  -0.03950 -1.0 2.0
   42    40   -44    47   0.67350  1.0 3.0
   42    40   -44    51   0.07850  1.0 1.0
   42    40   -44    51  -0.03950 -1.0 2.0
   42    40   -44    51   0.67350  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.15000  1.0 3.0
   42    44    51    52   0.15000  1.0 3.0
   42    44    51    53   0.15000  1.0 3.0
   42    44    51    54   0.15000  1.0 3.0
   42    45    55    56   1.63150  1.0 1.0
   42    45    55    56   2.92000 -1.0 2.0
   43    42   -44    40   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42    45    46   0.50000  1.0 3.0
   43    42    45    55   0.00000  1.0 1.0
   44    40   -42    43   0.15000  1.0 3.0
   44    40   -42    45  -0.95700  1.0 1.0
   44    40   -42    45  -0.18200 -1.0 2.0
   44    40   -42    45   0.29450  1.0 3.0
   44    42    45    46   0.30150 -1.0 2.0
   44    42    45    55   0.36750  1.0 3.0
   47    44    51    52   0.15000  1.0 3.0
   47    44    51    53   0.15000  1.0 3.0
   47    44    51    54   0.15000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    50   0.15000  1.0 3.0
   45    42   -44    40  -0.95700  1.0 1.0
   45    42   -44    40  -0.18200 -1.0 2.0
   45    42   -44    40   0.29450  1.0 3.0
   45    42    44    47  -0.95700  1.0 1.0
   45    42    44    47  -0.18200 -1.0 2.0
   45    42    44    47   0.29450  1.0 3.0
   45    42    44    51  -0.95700  1.0 1.0
   45    42    44    51  -0.18200 -1.0 2.0
   45    42    44    51   0.29450  1.0 3.0
   45    55    56    57   0.08050  1.0 3.0
   45    55    56    58  -0.24150  1.0 1.0
   45    55    56    58  -0.46200 -1.0 2.0
   45    55    56    58   0.11700  1.0 3.0
   45    55    56    60  -0.43900 -1.0 2.0
   45    55    56    60   0.14100  1.0 3.0
   46    45    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.00000  1.0 1.0
   55    56    60    61   0.64500  1.0 1.0
   55    56    60    61   0.14800 -1.0 2.0
   55    56    60    61   0.20650  1.0 3.0
   55    56    60    68   0.64500  1.0 1.0
   55    56    60    68   0.14800 -1.0 2.0
   55    56    60    68   0.20650  1.0 3.0
   56    60    61    62   3.62500 -1.0 2.0
   56    60    61    63   3.62500 -1.0 2.0
   56    60    68    67   3.62500 -1.0 2.0
   56    60    68    69   3.62500 -1.0 2.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    68   0.00000  1.0 1.0
   58    56    60    61   0.04300 -1.0 2.0
   58    56    60    68   0.04300 -1.0 2.0
   60    56    58    59   0.00000  1.0 1.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    68    67   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63   -65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    70   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67   -68    60   3.62500 -1.0 2.0
   65    67    68    69   3.62500 -1.0 2.0
   65    67    70    71   0.47150 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    70   3.62500 -1.0 2.0
   67    70    71    72   0.47150 -1.0 2.0
   67    70    71    80   0.47150 -1.0 2.0
   68    60    61    62   3.62500 -1.0 2.0
   68    60   -61    63   3.62500 -1.0 2.0
   68    67    70    71   0.47150 -1.0 2.0
   70    67    68    60   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71    72    74   3.62500 -1.0 2.0
   70    71    80    78   3.62500 -1.0 2.0
   70    71    80    81   3.62500 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    80    78   3.62500 -1.0 2.0
   72    71    80    81   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    71   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    71   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    71    72    73   3.62500 -1.0 2.0
   80    71   -72    74   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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   61    68    60    56   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    70    67    65   4.00000 -1.0 2.0
   67    69    68    60   1.10000 -1.0 2.0
   72    80    71    70   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    71   1.10000 -1.0 2.0
END
