* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    167    255     489
    1     0 S   NP   _N1_     1    28.82975    95.15653   -19.35336
    2     1 S   H    _HN1     2     1.02780    76.86113   -74.45560
    3     1 S   H    _H1_     3     1.02962    95.62603    33.07396
    4     1 S   H    _H2_     4     1.02839    38.96036   143.35626
    5     1 S   CT   _CA1     5     1.50095   146.60805   174.93988
    6     5 S   HC   _HA1     6     1.09567   105.30059    38.57839
    7     5 S   CO3  _C1_     7     1.53822   112.33846   -81.80762
    8     7 S   O2Z  _O11     8     1.26358   115.01712   -44.88227
    9     7 S   O2Z  _O12     9     1.26230   114.94432   134.47955
   10     5 S   CT   _CB1    10     1.53097   107.45349   156.61395
   11    10 S   HC   HB11    11     1.09817   109.51206   -49.98777
   12    10 S   HC   HB12    12     1.09829   110.34414    66.60897
   13    10 S   CT   _CG1    13     1.52996   112.61303  -171.09942
   14    13 S   HC   HG11    14     1.09538   110.38904   -59.17451
   15    13 S   HC   HG12    15     1.09626   110.14764    59.93743
   16    13 S   C    _CD1    16     1.51779   112.14721  -179.83929
   17    16 S   O    _OE1    17     1.22725   123.17688   -12.51734
   18    16 S   N    _N2_    18     1.38575   111.67717   168.13517
   19    18 S   H    _HN2    19     1.01591   119.04325     1.33060
   20    18 S   CT1  _CA2    20     1.46238   123.45743  -178.23198
   21    20 S   HC   _HA2    21     1.09735   109.43165   -13.26826
   22    20 S   C    _C2_    22     1.53443   108.23212  -128.94897
   23    22 S   O    _O2_    23     1.23012   122.28060  -145.54020
   24    20 S   CT   _CB2    32     1.53683   111.32412   108.88376
   25    24 S   HC   HB21    33     1.09431   108.80252    53.38253
   26    24 S   HC   HB22    34     1.09265   109.91619   172.16298
   27    22 S   N    _N3_    24     1.38519   113.34581    41.82303
   28    27 S   H    _HN3    25     1.01528   118.91320    -0.59248
   29    24 S   S    _SG2    35     1.83044   111.15373   -66.95123
   30    27 S   CT   _CA3    26     1.45450   123.44664   175.16394
   31    30 S   HC   HA31    27     1.09523   109.25040    24.24117
   32    30 S   HC   HA32    28     1.09497   107.12145   141.24010
   33    29 S   CT   _C12    36     1.96145   103.23170  -175.48981
   34    30 S   CO3  _C3_    29     1.52920   113.09084   -99.24818
   35    34 S   O2Z  _O31    30     1.26403   115.38687   -45.03643
   36    34 S   O2Z  _O32    31     1.26353   114.99571   135.89701
   37    33 S   CT   _C11    37     1.54824   108.11160   -46.21072
   38    37 S   HC   _H12    38     1.09474   111.83767   178.66734
   39    37 S   HC   _H13    39     1.09368   111.49496    60.10184
   40    33 S   CT   _C13    71     1.55290   103.47379    76.68791
   41    40 S   HC   _H3_    72     1.09763   106.78609   -48.49847
   42    37 S   CO4  _C10    40     1.51816   112.58912   -63.01210
   43    42 S   O    _O33    41     1.22998   121.02367   162.49542
   44    40 S   NT   _N4_    73     1.48021   111.55575    65.56975
   45    42 S   CM   _C9_    42     1.49171   118.23680   -18.94331
   46    44 S   CT   _C5_    74     1.46134   116.78643    50.93744
   47    46 S   HC   _H7_    75     1.09814   108.72493  -167.88120
   48    46 S   HC   _H8_    76     1.09240   112.25556    76.22027
   49    44 S   CT   _C4_    80     1.45807   114.28980  -175.76247
   50    49 S   HC   _H4_    81     1.09556   110.92415    49.25998
   51    49 S   HC   _H5_    82     1.09483   112.51753   -72.55253
   52    49 S   HC   _H6_    83     1.09587   110.40953   166.88995
   53    45 S   CM   _C8_    43     1.34325   119.04829   -10.27299
   54    53 S   HC   _H11    44     1.08898   117.44125   178.24878
   55    59 S   CT   _C6_    77     1.54934   108.96396   -60.73069
   56    55 S   HC   _H9_    78     1.09662   111.09552  -173.88041
   57    55 S   HC   _H10    79     1.09809   110.65559    70.22841
   58    45 S   OS   _O37    84     1.37974   119.42566   172.21919
   59    33 S   CT   _C7_    45     1.58940   110.27336  -164.08016
   60    58 S   CT   _C24    85     1.42606   110.89445   -76.85472
   61    60 S   HC   _H26    86     1.09384   107.90515  -179.26405
   62    60 S   HC   _H27    87     1.09483   111.61799    62.17101
   63    60 S   HC   _H28    88     1.09550   110.77530   -61.08815
   64    59 S   CA   _C17    46     1.58489   117.19534   175.66451
   65    64 S   CA   _C16    47     1.42270   125.38421    31.03100
   66    65 S   CA   _C21    48     1.42473   119.68015  -170.08143
   67    66 S   HA   _H18    49     1.08956   119.56345   179.43837
   68    65 S   CT   _C15    65     1.51254   127.23759    19.62211
   69    68 S   HC   _H16    66     1.09388   108.26269    76.85362
   70    68 S   HC   _H17    67     1.10006   108.50002  -171.94909
   71    66 S   CA   _C20    50     1.38567   122.39858    -2.20877
   72    68 S   CT   _C14    68     1.50732   120.37229   -52.33649
   73    72 S   HC   _H14    69     1.09902   107.46501  -176.16799
   74    72 S   HC   _H15    70     1.09631   109.48086   -64.25085
   75    71 S   CA   _C19    51     1.37814   119.09616    -3.27913
   76    71 S   OH   _O34    63     1.36498   120.99180   178.96732
   77    76 S   HO   _H19    64     0.97209   108.91338    -1.81596
   78    64 S   CA   _C18    52     1.43690   119.46629  -148.95356
   79    75 S   OS   _O35    58     1.37179   119.00509  -176.53457
   80    78 S   OS   _O36    53     1.37854   120.20739   -12.59553
   81    79 S   CT   _C22    59     1.42824   110.11474   -99.47724
   82    81 S   HC   _H20    60     1.09406   107.77645   176.58075
   83    81 S   HC   _H21    61     1.09576   111.24911    58.33579
   84    81 S   HC   _H22    62     1.09517   111.37248   -65.16471
   85    80 S   CT   _C23    54     1.42951   111.61972  -107.81441
   86    85 S   HC   _H23    55     1.09416   107.68392   152.03348
   87    85 S   HC   _H24    56     1.09625   112.65114    33.05735
   88    85 S   HC   _H25    57     1.09388   110.28574   -90.49215
  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  13   5   4   3
  24   2   1   1  14   6   5  21   8   7   3  15  10  13   6   5
   5   2   1   1  10   4   6   3   2   5   8   3   2   1   1  13
  13  11   4   7   4   3   7   2   1   1  10   3   1   7   5   4
   3   2   1   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    59    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    53    59    64    72    40    41    44    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    45    53    54    59    64    65    78    68    72    73    74    40    41    44    46    55    56    57    49  
   35    36  
   36  
    0  
   38    39    42    43    45    53    59    64    72    40    41    44    55    58  
   39    42    43    45    59    40  
   42    43    45    59    40  
   41    44    46    47    48    55    49    50    51    52    42    53    59    64    65    68    69    70    72    73    74  
   44    46    49    59    68    72    73    74  
   43    45    53    54    59    58    60  
   45    53    58  
   46    47    48    55    56    57    49    50    51    52    59    68    72    73    74  
   53    54    59    64    55    58    60    61    62    63  
   47    48    55    56    57    49    50    51    52    53    59    64    72  
   48    55    56    57    49    59  
   55    56    57    49    59  
   50    51    52    55    72  
   51    52  
   52  
    0  
   54    59    64    65    78    55    56    57    58    60  
   59    64    55    58  
   56    57    59    64    65    78  
   57    59    64  
   59    64  
   60    61    62    63    59  
   64    65    66    75    78    80    68    72  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    71    75    78    80    85    79    68    69    70    72  
   66    67    71    75    78    80    76    68    69    70    72    73    74  
   67    71    75    78    79    76    77    68    69    70    72  
   71    75    76    68  
   69    70    72    73    74    71    78  
   70    72    73    74  
   72    73    74  
   75    78    80    79    81    76    77  
   73    74  
   74  
    0  
   78    80    85    79    81    82    83    84    76    77  
   77    78    79  
    0  
   80    85    86    87    88    79    81  
   81    82    83    84    80  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   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   268.000  1.529
   33    59   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    45   320.000  1.462
   45    53   549.000  1.340
   45    58   440.000  1.360
   53    54   340.000  1.080
   53    59   317.000  1.510
   59    64   317.000  1.510
   59    55   268.000  1.529
   64    65   469.000  1.400
   64    78   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    75   469.000  1.400
   71    76   450.000  1.364
   75    78   469.000  1.400
   75    79   450.000  1.364
   78    80   450.000  1.364
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   79    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    40   268.000  1.529
   40    41   340.000  1.090
   40    44   382.000  1.448
   44    46   382.000  1.448
   44    49   382.000  1.448
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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  111.63000
   29    33    59    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    59    53    70.00000  112.02700
   33    59    64    70.00000  112.17500
   33    59    55    58.35000  112.70000
   33    40    72    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    56.20000  109.47000
   37    42    43    80.00000  120.40000
   37    42    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    53    65.00000  118.96000
   42    45    58    85.00000  116.28000
   45    42    43    80.00000  123.72100
   45    53    54    35.00000  120.00000
   45    53    59    70.00000  124.00000
   45    58    60    90.00000  111.18400
   53    59    64    70.00000  112.99600
   53    59    55    70.00000  112.02700
   59    33    37    58.35000  112.70000
   59    53    54    35.00000  117.00000
   59    64    65    70.00000  120.00000
   59    64    78    70.00000  120.00000
   59    55    46    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   64    65    66    63.00000  120.00000
   64    65    68    70.00000  120.00000
   64    78    75    63.00000  120.00000
   64    78    80    70.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    71    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    72    70.00000  112.17500
   66    71    75    63.00000  120.00000
   66    71    76    70.00000  120.00000
   71    66    67    35.00000  120.00000
   71    75    78    63.00000  120.00000
   71    75    79    70.00000  120.00000
   71    76    77    35.00000  113.00000
   75    78    80    70.00000  120.00000
   75    79    81    75.00000  111.00000
   78    64    65    63.00000  120.00000
   78    80    85    75.00000  111.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   79    75    78    70.00000  120.00000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    71    75    70.00000  120.00000
   68    65    66    70.00000  120.00000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    40    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    40    41    37.50000  110.70000
   72    40    44    56.20000  109.47000
   74    72    73    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    59    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    72    74    37.50000  110.70000
   40    44    46    51.80000  107.20000
   40    44    49    51.80000  107.20000
   44    40    41    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    55    56.20000  109.47000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   48    46    47    33.00000  107.80000
   55    59    64    70.00000  112.17500
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   57    55    56    33.00000  107.80000
   49    44    46    51.80000  107.20000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   58    45    53    80.00000  120.01400
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    59    53   0.56750  1.0 1.0
   29    33    59    53  -0.07550 -1.0 2.0
   29    33    59    53   0.20000  1.0 3.0
   29    33    59    64   0.56750  1.0 1.0
   29    33    59    64  -0.07550 -1.0 2.0
   29    33    59    64   0.20000  1.0 3.0
   29    33    59    55   0.44750  1.0 1.0
   29    33    59    55  -0.17800 -1.0 2.0
   29    33    59    55   0.20200  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    45   0.65300  1.0 1.0
   33    37    42    45  -0.03850 -1.0 2.0
   33    37    42    45   0.33900  1.0 3.0
   33    59    64    65   0.04150 -1.0 2.0
   33    59    64    78   0.04150 -1.0 2.0
   33    59    55    46   0.56750  1.0 1.0
   33    59    55    46  -0.07550 -1.0 2.0
   33    59    55    46   0.20000  1.0 3.0
   33    59    55    56   0.15000  1.0 3.0
   33    59    55    57   0.15000  1.0 3.0
   33    40   -44    46   0.23450  1.0 1.0
   33    40   -44    46   0.02050 -1.0 2.0
   33    40   -44    46   0.25250  1.0 3.0
   33    40    44    49   0.58650  1.0 1.0
   33    40    44    49   0.12600 -1.0 2.0
   33    40    44    49   0.33350  1.0 3.0
   37    33    59    53   0.34400  1.0 1.0
   37    33    59    53   0.09450 -1.0 2.0
   37    33    59    53   0.11100  1.0 3.0
   37    33    59    64  -0.03700  1.0 1.0
   37    33    59    64   0.37200 -1.0 2.0
   37    33    59    64  -0.47300  1.0 3.0
   37    33    59    55   0.56750  1.0 1.0
   37    33    59    55  -0.07550 -1.0 2.0
   37    33    59    55   0.20000  1.0 3.0
   37    33    40    72   0.56750  1.0 1.0
   37    33    40    72  -0.07550 -1.0 2.0
   37    33    40    72   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   1.53400  1.0 1.0
   37    33    40    44  -0.09950 -1.0 2.0
   37    33    40    44   0.05700  1.0 3.0
   37    42   -45    53  -0.33500  1.0 1.0
   37    42   -45    53   1.06600 -1.0 2.0
   37    42   -45    53  -0.14000  1.0 3.0
   37    42    45    58   0.32450 -1.0 2.0
   37    42    45    58   0.17400  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    45   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    45   0.00000  1.0 1.0
   42    45    53    54   7.00000 -1.0 2.0
   42    45    53    59   7.00000 -1.0 2.0
   42    45    58    60   0.15100 -1.0 2.0
   43    42    45    53   1.00000 -1.0 2.0
   43    42    45    58  -0.11900  1.0 1.0
   43    42    45    58   0.76850 -1.0 2.0
   43    42    45    58   0.14100  1.0 3.0
   45    53   -59    33   0.09850  1.0 1.0
   45    53   -59    33   0.15250 -1.0 2.0
   45    53   -59    33  -0.50650  1.0 3.0
   45    53    59    64   1.44450  1.0 1.0
   45    53    59    64   0.06600 -1.0 2.0
   45    53    59    64   0.29250  1.0 3.0
   45    53    59    55   0.09850  1.0 1.0
   45    53    59    55   0.15250 -1.0 2.0
   45    53    59    55  -0.50650  1.0 3.0
   45    58    60    61   0.08050  1.0 3.0
   45    58    60    62   0.08050  1.0 3.0
   45    58    60    63   0.08050  1.0 3.0
   53    45    58    60  -2.26850  1.0 1.0
   53    45    58    60   3.39050 -1.0 2.0
   53    59    64    65   0.18050 -1.0 2.0
   53    59    64    78   0.18050 -1.0 2.0
   53    59    55    46   0.34400  1.0 1.0
   53    59    55    46   0.09450 -1.0 2.0
   53    59    55    46   0.11100  1.0 3.0
   53    59    55    56   0.15000  1.0 3.0
   53    59    55    57   0.15000  1.0 3.0
   54    53    59    33   0.00000  1.0 1.0
   54    53    59    64   0.00000  1.0 1.0
   54    53    59    55   0.00000  1.0 1.0
   59    33    37    38   0.15000  1.0 3.0
   59    33    37    39   0.15000  1.0 3.0
   59    33   -37    42  -0.95700  1.0 1.0
   59    33   -37    42  -0.18200 -1.0 2.0
   59    33   -37    42   0.29450  1.0 3.0
   59    33    40    72   0.56750  1.0 1.0
   59    33    40    72  -0.07550 -1.0 2.0
   59    33    40    72   0.20000  1.0 3.0
   59    33    40    41   0.15000  1.0 3.0
   59    33    40    44   1.53400  1.0 1.0
   59    33    40    44  -0.09950 -1.0 2.0
   59    33    40    44   0.05700  1.0 3.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    68   3.62500 -1.0 2.0
   59    64    78    75   3.62500 -1.0 2.0
   59    64    78    80   3.62500 -1.0 2.0
   64    59    55    46  -0.03700  1.0 1.0
   64    59    55    46   0.37200 -1.0 2.0
   64    59    55    46  -0.47300  1.0 3.0
   64    59    55    56   0.43200  1.0 3.0
   64    59    55    57   0.43200  1.0 3.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    71   3.62500 -1.0 2.0
   64    65    68    69   0.00000  1.0 1.0
   64    65    68    70   0.00000  1.0 1.0
   64    65    68    72   0.04150 -1.0 2.0
   64    78    80    85   1.63200 -1.0 2.0
   65    64    78    75   3.62500 -1.0 2.0
   65    64    78    80   3.62500 -1.0 2.0
   65    66   -71    75   3.62500 -1.0 2.0
   65    66    71    76   3.62500 -1.0 2.0
   65    68    72    73   0.43200  1.0 3.0
   65    68    72    74   0.43200  1.0 3.0
   65    68    72    40  -0.03700  1.0 1.0
   65    68    72    40   0.37200 -1.0 2.0
   65    68    72    40  -0.47300  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    72   0.04150 -1.0 2.0
   66    71    75    78   3.62500 -1.0 2.0
   66    71    75    79   3.62500 -1.0 2.0
   66    71    76    77   0.84100 -1.0 2.0
   67    66    71    75   3.62500 -1.0 2.0
   67    66    71    76   3.62500 -1.0 2.0
   71    75   -78    64   3.62500 -1.0 2.0
   71    75    78    80   3.62500 -1.0 2.0
   71    75    79    81   1.63200 -1.0 2.0
   75    71    76    77   0.84100 -1.0 2.0
   75    78    80    85   1.63200 -1.0 2.0
   75    79    81    82   0.08050  1.0 3.0
   75    79    81    83   0.08050  1.0 3.0
   75    79    81    84   0.08050  1.0 3.0
   78    64   -65    66   3.62500 -1.0 2.0
   78    64    65    68   3.62500 -1.0 2.0
   78    75    79    81   1.63200 -1.0 2.0
   78    80    85    86   0.08050  1.0 3.0
   78    80    85    87   0.08050  1.0 3.0
   78    80    85    88   0.08050  1.0 3.0
   79    75    78    64   3.62500 -1.0 2.0
   79    75    78    80   3.62500 -1.0 2.0
   76    71    75    78   3.62500 -1.0 2.0
   76    71    75    79   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    71   3.62500 -1.0 2.0
   68    72    40    33   0.56750  1.0 1.0
   68    72    40    33  -0.07550 -1.0 2.0
   68    72    40    33   0.20000  1.0 3.0
   68    72    40    41   0.15000  1.0 3.0
   68    72    40    44   1.53400  1.0 1.0
   68    72    40    44  -0.09950 -1.0 2.0
   68    72    40    44   0.05700  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    40   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    40   0.15000  1.0 3.0
   72    40    44    46   0.23450  1.0 1.0
   72    40    44    46   0.02050 -1.0 2.0
   72    40    44    46   0.25250  1.0 3.0
   72    40    44    49   0.23450  1.0 1.0
   72    40    44    49   0.02050 -1.0 2.0
   72    40    44    49   0.25250  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    41   0.15000  1.0 3.0
   73    72    40    44   0.15000  1.0 3.0
   74    72    40    33   0.15000  1.0 3.0
   74    72    40    41   0.15000  1.0 3.0
   74    72    40    44   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    59    53   0.34400  1.0 1.0
   40    33    59    53   0.09450 -1.0 2.0
   40    33    59    53   0.11100  1.0 3.0
   40    33    59    64  -0.03700  1.0 1.0
   40    33    59    64   0.37200 -1.0 2.0
   40    33    59    64  -0.47300  1.0 3.0
   40    33    59    55   0.56750  1.0 1.0
   40    33    59    55  -0.07550 -1.0 2.0
   40    33    59    55   0.20000  1.0 3.0
   40    44    46    47   0.28000  1.0 3.0
   40    44    46    48   0.28000  1.0 3.0
   40    44   -46    55   0.23450  1.0 1.0
   40    44   -46    55   0.02050 -1.0 2.0
   40    44   -46    55   0.25250  1.0 3.0
   40    44    49    50   0.28000  1.0 3.0
   40    44    49    51   0.28000  1.0 3.0
   40    44    49    52   0.28000  1.0 3.0
   41    40    44    46   0.28000  1.0 3.0
   41    40    44    49   0.28000  1.0 3.0
   44    46   -55    59   1.53400  1.0 1.0
   44    46   -55    59  -0.09950 -1.0 2.0
   44    46   -55    59   0.05700  1.0 3.0
   44    46    55    56   0.15000  1.0 3.0
   44    46    55    57   0.15000  1.0 3.0
   46    44    49    50   0.28000  1.0 3.0
   46    44    49    51   0.28000  1.0 3.0
   46    44    49    52   0.28000  1.0 3.0
   47    46    55    59   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   48    46    55    59   0.15000  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    57   0.15000  1.0 3.0
   55    59    64    65   0.04150 -1.0 2.0
   55    59    64    78   0.04150 -1.0 2.0
   49    44    46    47   0.28000  1.0 3.0
   49    44    46    48   0.28000  1.0 3.0
   49    44    46    55   0.58650  1.0 1.0
   49    44    46    55   0.12600 -1.0 2.0
   49    44    46    55   0.33350  1.0 3.0
   58    45    53    54   7.00000 -1.0 2.0
   58    45    53    59   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
   42    58    45    53   1.10000 -1.0 2.0
   59    54    53    45   1.10000 -1.0 2.0
   65    78    64    59   4.00000 -1.0 2.0
   66    68    65    64   4.00000 -1.0 2.0
   71    67    66    65   1.10000 -1.0 2.0
   75    76    71    66   4.00000 -1.0 2.0
   78    79    75    71   4.00000 -1.0 2.0
   75    80    78    64   4.00000 -1.0 2.0
END
