* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    144    219     417
    1     0 S   NP   _N1_     1    28.80183    95.75779   -24.71327
    2     1 S   H    _HN1     2     1.02792   113.74667  -101.96667
    3     1 S   H    _H1_     3     1.02948    76.94060     2.58785
    4     1 S   H    _H2_     4     1.02827    30.58553   172.90881
    5     1 S   CT   _CA1     5     1.50125   127.79086   108.44194
    6     5 S   HC   _HA1     6     1.09575   105.16788    88.71180
    7     5 S   CO3  _C1_     7     1.53767   112.42331   -31.49094
    8     7 S   O2Z  _O11     8     1.26374   115.00881   -43.48555
    9     7 S   O2Z  _O12     9     1.26234   114.93342   135.49710
   10     5 S   CT   _CB1    10     1.53057   107.39965  -153.35049
   11    10 S   HC   HB11    11     1.09840   109.31653   -49.60482
   12    10 S   HC   HB12    12     1.09811   110.48389    66.97867
   13    10 S   CT   _CG1    13     1.53018   112.64556  -170.55302
   14    13 S   HC   HG11    14     1.09573   110.70679   -67.08833
   15    13 S   HC   HG12    15     1.09670   109.72776    52.16814
   16    13 S   C    _CD1    16     1.51816   112.01163   172.61324
   17    16 S   O    _OE1    17     1.22757   123.19291    10.96848
   18    16 S   N    _N2_    18     1.38647   111.82373  -169.02336
   19    18 S   H    _HN2    19     1.01582   119.00983     0.99465
   20    18 S   CT1  _CA2    20     1.46219   123.35295   176.77172
   21    20 S   HC   _HA2    21     1.09741   109.25910     6.73024
   22    20 S   C    _C2_    22     1.53655   108.91981  -108.76914
   23    22 S   O    _O2_    23     1.23083   122.22215  -149.38404
   24    20 S   CT   _CB2    32     1.53345   111.64906   128.66140
   25    24 S   HC   HB21    33     1.09527   109.91904    57.07408
   26    24 S   HC   HB22    34     1.09514   110.07730   176.11043
   27    22 S   N    _N3_    24     1.38308   113.86497    38.14879
   28    27 S   H    _HN3    25     1.01551   119.59590    -3.34989
   29    24 S   S    _SG2    35     1.82805   111.41302   -64.07529
   30    27 S   CT   _CA3    26     1.45284   123.29619   177.15758
   31    30 S   HC   HA31    27     1.09547   107.51482   -64.68892
   32    30 S   HC   HA32    28     1.09555   107.99496    51.77157
   33    29 S   CT   _C12    36     1.85123    99.94837  -174.96729
   34    33 S   HC   _H4_    37     1.09647   105.02413    45.25502
   35    30 S   CO3  _C3_    29     1.52979   114.03151   173.76087
   36    35 S   O2Z  _O31    30     1.26384   116.06730    -0.67840
   37    35 S   O2Z  _O32    31     1.26424   114.42081   179.38706
   38    33 S   CM   _C11    38     1.50443   108.01598   -70.03509
   39    38 S   HC   _H14    39     1.08885   116.60059    89.21715
   40    38 S   CMA  _C10    40     1.34699   124.29810   -92.60678
   41    40 S   OM   _O33    41     1.26143   129.73528  -178.63398
   42    40 S   CT   _C9_    42     1.52618   118.37925     2.87868
   43    42 S   HC   _H12    43     1.10018   107.03677   101.25175
   44    42 S   HC   _H13    44     1.10177   110.23302  -145.24377
   45    42 S   CT   _C8_    45     1.55325   117.75756   -23.46674
   46    45 S   HC   _H3_    46     1.10018   108.38992  -120.58255
   47    33 S   CT   _C7_    47     1.57289   116.81116   165.24053
   48    47 S   CA   _C13    48     1.55259   107.63281  -163.00405
   49    47 S   CT   _C6_    67     1.55709   113.18206   -43.00831
   50    49 S   HC   _H10    68     1.09528   112.27589   -15.79559
   51    49 S   HC   _H11    69     1.09763   112.43157  -135.48372
   52    48 S   CA   _C14    49     1.40678   119.61222    72.12452
   53    52 S   HA   _H15    50     1.08829   120.30337     0.61294
   54    49 S   CT   _C5_    70     1.52436   106.92322   106.79610
   55    54 S   HC   _H8_    71     1.09789   108.92594   108.20308
   56    54 S   HC   _H9_    72     1.09491   111.35806  -132.86548
   57    52 S   CA   _C15    51     1.39747   121.64359  -179.28045
   58    57 S   HA   _H16    52     1.08541   117.63907  -179.63043
   59    45 S   NT   _N4_    73     1.47751   112.22854   121.25890
   60    57 S   CA   _C16    53     1.39510   120.32950     0.61612
   61    59 S   CT   _C4_    74     1.45955   113.77264    70.53183
   62    61 S   HC   _H5_    75     1.09430   111.39535   -63.87117
   63    61 S   HC   _H6_    76     1.09583   110.18686   178.21908
   64    61 S   HC   _H7_    77     1.09603   112.32825    57.56543
   65    60 S   CA   _C17    54     1.40522   119.25207     0.38257
   66    60 S   OS   _O35    62     1.37297   124.67841   179.97202
   67    48 S   CA   _C18    55     1.40538   123.02986  -105.84002
   68    67 S   HA   _H17    56     1.08338   119.14690    -0.51662
   69    65 S   OS   _O34    57     1.37473   115.73251   179.35502
   70    66 S   CT   _C20    63     1.42219   117.29027     0.43924
   71    70 S   HC   _H21    64     1.09430   107.73930   179.71884
   72    70 S   HC   _H22    65     1.09497   111.15855    61.99373
   73    70 S   HC   _H23    66     1.09495   111.13486   -62.57899
   74    69 S   CT   _C19    58     1.42248   117.40081  -174.92580
   75    74 S   HC   _H18    59     1.09430   107.71203   177.04057
   76    74 S   HC   _H19    60     1.09510   111.26557    59.30810
   77    74 S   HC   _H20    61     1.09487   111.05701   -65.36451
  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
  17   7   2   1   1  10   4   8   4  10   5   4  16   6  15  14
   9   5   4   8   4   7   3   2   7   3   4  10   3   2   1   1
   9   6   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    48    52    67    49    50    51    54    59  
   38    39    40    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    49  
   40    41    42    47  
   41    42    43    44    45    46    47    59  
   42    43    44    45  
   43    44    45    46    47    48    49    54    59    61  
   44    45    46    47    59  
   45    46    47    59  
   46    47    48    52    67    49    50    51    54    55    56    59    61    62    63    64  
   47    48    49    54    59    61  
   48    52    53    57    65    67    68    49    50    51    54    55    56    59    61  
   52    53    57    58    60    65    67    68    69    49    50    51    54    59  
   50    51    54    55    56    59    61    52    67  
   51    54    55    56    59  
   54    55    56    59  
   53    57    58    60    65    67    68    66  
   57    58    60    67  
   55    56    59    61    62    63    64  
   56    59    61  
   59    61  
   58    60    65    67    69    66    70  
   60    65    66  
   61    62    63    64  
   65    67    68    69    74    66    70    71    72    73  
   62    63    64  
   63    64  
   64  
    0  
   67    68    69    74    75    76    77    66    70  
   70    71    72    73    67    69  
   68    69    74  
   69  
   74    75    76    77  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   0.107500   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   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    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    47   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    59   382.000  1.448
   47    48   317.000  1.510
   47    49   268.000  1.529
   48    52   469.000  1.400
   48    67   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    65   469.000  1.400
   60    66   450.000  1.364
   65    67   469.000  1.400
   65    69   450.000  1.364
   67    68   367.000  1.080
   69    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   66    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   382.000  1.448
   59    61   382.000  1.448
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    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    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    58.35000  112.70000
   33    47    48    70.00000  112.17500
   33    47    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    59    56.20000  109.47000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    70.00000  112.17500
   45    47    49    58.35000  112.70000
   45    59    54    51.80000  107.20000
   45    59    61    51.80000  107.20000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    45    46    37.50000  110.70000
   47    48    52    70.00000  120.00000
   47    48    67    70.00000  120.00000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    58.35000  112.70000
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    67    65    63.00000  120.00000
   48    67    68    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    60    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    60    65    63.00000  120.00000
   57    60    66    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    65    67    63.00000  120.00000
   60    65    69    70.00000  120.00000
   60    66    70    75.00000  111.00000
   65    67    68    35.00000  120.00000
   65    69    74    75.00000  111.00000
   67    48    52    63.00000  120.00000
   69    65    67    70.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    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
   66    60    65    70.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   49    47    48    70.00000  112.17500
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    59    56.20000  109.47000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    59    61    51.80000  107.20000
   56    54    55    33.00000  107.80000
   59    45    46    35.00000  109.50000
   59    45    47    56.20000  109.47000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    45   0.44750  1.0 1.0
   29    33    47    45  -0.17800 -1.0 2.0
   29    33    47    45   0.20200  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    48    52   0.04150 -1.0 2.0
   33    47    48    67   0.04150 -1.0 2.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    54   0.56750  1.0 1.0
   33    47    49    54  -0.07550 -1.0 2.0
   33    47    49    54   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.43200  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48   0.21200  1.0 1.0
   38    33    47    48   0.16900 -1.0 2.0
   38    33    47    48  -1.15100  1.0 3.0
   38    33    47    49   0.34400  1.0 1.0
   38    33    47    49   0.09450 -1.0 2.0
   38    33    47    49   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    59   0.59950  1.0 1.0
   40    42    45    59  -0.21400 -1.0 2.0
   40    42    45    59   0.56200  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45   -47    33   0.56750  1.0 1.0
   42    45   -47    33  -0.07550 -1.0 2.0
   42    45   -47    33   0.20000  1.0 3.0
   42    45    47    48  -0.03700  1.0 1.0
   42    45    47    48   0.37200 -1.0 2.0
   42    45    47    48  -0.47300  1.0 3.0
   42    45    47    49   0.56750  1.0 1.0
   42    45    47    49  -0.07550 -1.0 2.0
   42    45    47    49   0.20000  1.0 3.0
   42    45    59    54   0.23450  1.0 1.0
   42    45    59    54   0.02050 -1.0 2.0
   42    45    59    54   0.25250  1.0 3.0
   42    45    59    61   0.58650  1.0 1.0
   42    45    59    61   0.12600 -1.0 2.0
   42    45    59    61   0.33350  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    59   0.15000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    59   0.15000  1.0 3.0
   45    47    48    52   0.04150 -1.0 2.0
   45    47    48    67   0.04150 -1.0 2.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   45    47   -49    54   0.56750  1.0 1.0
   45    47   -49    54  -0.07550 -1.0 2.0
   45    47   -49    54   0.20000  1.0 3.0
   45    59    61    62   0.28000  1.0 3.0
   45    59    61    63   0.28000  1.0 3.0
   45    59    61    64   0.28000  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    48   0.43200  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    59    54   0.28000  1.0 3.0
   46    45    59    61   0.28000  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    45   -59    54   0.23450  1.0 1.0
   47    45   -59    54   0.02050 -1.0 2.0
   47    45   -59    54   0.25250  1.0 3.0
   47    45    59    61   0.58650  1.0 1.0
   47    45    59    61   0.12600 -1.0 2.0
   47    45    59    61   0.33350  1.0 3.0
   47    48    52    53   3.62500 -1.0 2.0
   47    48    52    57   3.62500 -1.0 2.0
   47    48    67    65   3.62500 -1.0 2.0
   47    48    67    68   3.62500 -1.0 2.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49   -54    59   1.53400  1.0 1.0
   47    49   -54    59  -0.09950 -1.0 2.0
   47    49   -54    59   0.05700  1.0 3.0
   48    47    49    50   0.43200  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    47    49    54  -0.03700  1.0 1.0
   48    47    49    54   0.37200 -1.0 2.0
   48    47    49    54  -0.47300  1.0 3.0
   48    52    57    58   3.62500 -1.0 2.0
   48    52    57    60   3.62500 -1.0 2.0
   52    48    67    65   3.62500 -1.0 2.0
   52    48    67    68   3.62500 -1.0 2.0
   52    57   -60    65   3.62500 -1.0 2.0
   52    57    60    66   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    60   3.62500 -1.0 2.0
   57    60    65    67   3.62500 -1.0 2.0
   57    60    65    69   3.62500 -1.0 2.0
   57    60    66    70   1.63200 -1.0 2.0
   58    57    60    65   3.62500 -1.0 2.0
   58    57    60    66   3.62500 -1.0 2.0
   60    65   -67    48   3.62500 -1.0 2.0
   60    65    67    68   3.62500 -1.0 2.0
   60    65    69    74   1.63200 -1.0 2.0
   60    66    70    71   0.08050  1.0 3.0
   60    66    70    72   0.08050  1.0 3.0
   60    66    70    73   0.08050  1.0 3.0
   65    60    66    70   1.63200 -1.0 2.0
   65    69    74    75   0.08050  1.0 3.0
   65    69    74    76   0.08050  1.0 3.0
   65    69    74    77   0.08050  1.0 3.0
   67    48    52    53   3.62500 -1.0 2.0
   67    48   -52    57   3.62500 -1.0 2.0
   67    65    69    74   1.63200 -1.0 2.0
   69    65    67    48   3.62500 -1.0 2.0
   69    65    67    68   3.62500 -1.0 2.0
   66    60    65    67   3.62500 -1.0 2.0
   66    60    65    69   3.62500 -1.0 2.0
   49    47    48    52   0.04150 -1.0 2.0
   49    47    48    67   0.04150 -1.0 2.0
   49    54   -59    45   0.23450  1.0 1.0
   49    54   -59    45   0.02050 -1.0 2.0
   49    54   -59    45   0.25250  1.0 3.0
   49    54    59    61   0.58650  1.0 1.0
   49    54    59    61   0.12600 -1.0 2.0
   49    54    59    61   0.33350  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    59   0.15000  1.0 3.0
   54    59    61    62   0.28000  1.0 3.0
   54    59    61    63   0.28000  1.0 3.0
   54    59    61    64   0.28000  1.0 3.0
   55    54    59    45   0.28000  1.0 3.0
   55    54    59    61   0.28000  1.0 3.0
   56    54    59    45   0.28000  1.0 3.0
   56    54    59    61   0.28000  1.0 3.0
   59    45    47    33   1.53400  1.0 1.0
   59    45    47    33  -0.09950 -1.0 2.0
   59    45    47    33   0.05700  1.0 3.0
   59    45    47    48   0.83750  1.0 1.0
   59    45    47    48   0.32200 -1.0 2.0
   59    45    47    48   0.70600  1.0 3.0
   59    45   -47    49   1.53400  1.0 1.0
   59    45   -47    49  -0.09950 -1.0 2.0
   59    45   -47    49   0.05700  1.0 3.0
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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   52    67    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   60    58    57    52   1.10000 -1.0 2.0
   65    66    60    57   4.00000 -1.0 2.0
   67    69    65    60   4.00000 -1.0 2.0
   65    68    67    48   1.10000 -1.0 2.0
END
