* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    145    234     428
    1     0 S   NP   _N1_     1    29.19149    95.81197   -18.81891
    2     1 S   H    _HN1     2     1.02958    95.70833    44.71550
    3     1 S   H    _H1_     3     1.02831    42.06629   153.95471
    4     1 S   H    _H2_     4     1.02781    73.68927   -62.72888
    5     1 S   CT   _CA1     5     1.50060   148.49161  -168.75540
    6     5 S   HC   _HA1     6     1.09589   105.24172    33.24485
    7     5 S   CO3  _C1_     7     1.53678   112.53497   -86.84768
    8     7 S   O2Z  _O11     8     1.26322   115.10255   -44.51201
    9     7 S   O2Z  _O12     9     1.26221   114.80547   134.78817
   10     5 S   CT   _CB1    10     1.53048   107.45723   150.95243
   11    10 S   HC   HB11    11     1.09803   109.08229   -53.66742
   12    10 S   HC   HB12    12     1.09827   110.51447    62.79879
   13    10 S   CT   _CG1    13     1.52955   112.64027  -175.05831
   14    13 S   HC   HG11    14     1.09569   110.01989   -64.89432
   15    13 S   HC   HG12    15     1.09618   110.22838    54.31102
   16    13 S   C    _CD1    16     1.51693   112.28217   174.23969
   17    16 S   O    _OE1    17     1.22747   123.13065   -16.36979
   18    16 S   N    _N2_    18     1.38596   111.80218   164.66288
   19    18 S   H    _HN2    19     1.01564   119.13217     0.20558
   20    18 S   CT1  _CA2    20     1.46230   123.34894  -179.44187
   21    20 S   HC   _HA2    21     1.09716   109.25570   -15.00776
   22    20 S   C    _C2_    22     1.53394   108.62990  -130.95234
   23    22 S   O    _O2_    23     1.23037   122.24288  -152.05173
   24    20 S   CT   _CB2    32     1.53519   111.38645   107.07821
   25    24 S   HC   HB21    33     1.09329   109.22695    59.45892
   26    24 S   HC   HB22    34     1.09500   110.37899   177.71022
   27    22 S   N    _N3_    24     1.38318   113.60136    35.14068
   28    27 S   H    _HN3    25     1.01648   119.41752    -2.70928
   29    24 S   S    _SG2    35     1.82847   111.32162   -62.74554
   30    27 S   CT   _CA3    26     1.45275   123.20159   177.73704
   31    30 S   HC   HA31    27     1.09545   107.42477   -67.29510
   32    30 S   HC   HA32    28     1.09558   108.08952    49.17088
   33    29 S   CT   _C21    36     1.86664   101.55933   154.41001
   34    30 S   CO3  _C3_    29     1.52933   114.08244   171.21933
   35    34 S   O2Z  _O31    30     1.26366   116.04332    -0.75355
   36    34 S   O2Z  _O32    31     1.26423   114.42360   179.32594
   37    33 S   C    _C22    37     1.51966   106.72224   -68.84135
   38    37 S   O    _O36    38     1.22271   124.29498    96.95078
   39    33 S   CT   _C20    75     1.52624   111.68661    62.39736
   40    39 S   HC   _H17    76     1.09568   111.95234   -55.85364
   41    39 S   HC   _H18    77     1.09844   109.50278  -172.16734
   42    37 S   N    _N5_    39     1.40235   106.38975   -84.36086
   43    42 S   CA   _C9_    40     1.42709   123.89579   167.95363
   44    42 S   C    _C15    62     1.39890   111.23540   -12.39083
   45    44 S   O    _O35    63     1.21952   130.74797   165.16527
   46    43 S   CA   _C8_    41     1.41005   120.64557   -23.87211
   47    46 S   HA   _H7_    42     1.08512   118.85346    -4.06732
   48    33 S   CT   _C16    64     1.53220   112.79905  -176.08744
   49    48 S   HC   _H3_    65     1.10429   109.33202  -178.36470
   50    46 S   CA   _C7_    43     1.40826   122.06977   178.00885
   51    48 S   CT   _C17    66     1.51497   113.37111   -59.83383
   52    51 S   HC   _H11    67     1.09634   110.25427  -179.19206
   53    51 S   HC   _H12    68     1.09497   111.97764    63.05334
   54    50 S   CA   _C12    44     1.39703   118.31726     1.35451
   55    51 S   CT   _C18    69     1.53687   108.44899   -59.13271
   56    55 S   HC   _H13    70     1.09777   108.46820   -71.65012
   57    55 S   HC   _H14    71     1.09593   109.63953   172.48916
   58    54 S   CA   _C11    45     1.39243   120.72159    -1.57446
   59    58 S   HA   _H8_    46     1.08644   120.47121  -177.83698
   60    54 S   OS   _O33    49     1.36686   123.09821  -177.44902
   61    55 S   CT   _C19    72     1.53887   114.13891    49.06005
   62    61 S   HC   _H15    73     1.09642   108.78506    76.10515
   63    61 S   HC   _H16    74     1.09644   109.13545  -168.62115
   64    43 S   CA   _C10    47     1.39999   121.95626   154.49918
   65    64 S   F    F1__    48     1.34041   121.32907    -3.37057
   66    60 S   CT   _C13    50     1.41036   112.78904   -27.27145
   67    66 S   HC   _H9_    51     1.09561   109.43944   -79.57508
   68    66 S   HC   _H10    52     1.09583   106.90989   164.79633
   69    66 S   C    _C14    53     1.51564   116.75903    44.45940
   70    69 S   O    _O34    54     1.23152   120.49674   148.23789
   71    50 S   N    _N4_    55     1.42767   122.80144  -176.09169
   72    71 S   CT   _C6_    56     1.46395   121.28049     9.06623
   73    72 S   HC   _H5_    57     1.09491   110.38253    34.84212
   74    72 S   HC   _H6_    58     1.09696   108.49718   149.86646
   75    72 S   CZ   _C5_    59     1.46897   111.91922   -90.56232
   76    75 S   CZ   _C4_    60     1.20062   178.66016  -127.55464
   77    76 S   HC   _H4_    61     1.06548   179.64668    29.48157
  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  12   5   4   3
  18   2   1   1  14   5  13   6   5  12  12   9   3  10   4   8
   4  13   8   5   4  11   5   4   3   6   3   7   2   1   1   1
   1   6   4   3   6   2   5   5   3   2   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    48    49    51    61    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    48    49    51    52    53    55    61    62    63    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    64    44    45    48    49    51    61    39    40    41  
   42    43    44    48    39  
   40    41    42    44    48    49    51    55    56    57    61    62    63  
   41    48    55    61    62    63  
   48    55    61    62    63  
   43    46    47    50    58    64    65    44    45    48    49    51  
   46    47    50    54    58    59    64    65    71    44    45    48  
   45    48    49    51    52    53    55    46    64  
   48    49    51  
   47    50    54    58    64    65    60    69    71    72  
   50    54    64    71  
   49    51    52    53    55    56    57    61  
   51    52    53    55  
   54    58    59    64    60    66    69    70    71    72    73    74    75  
   52    53    55    56    57    61    62    63  
   53    55    56    57    61  
   55    56    57    61  
   58    59    64    65    60    66    67    68    69    71    72  
   56    57    61    62    63  
   57    61    62    63  
   61    62    63  
   59    64    65    60    66    71  
   64    65    60  
   66    67    68    69    70    71    64  
   62    63  
   63  
    0  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75  
   71    72  
   72    73    74    75    76  
   73    74    75    76    77  
   74    75    76  
   75    76  
   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  -0.175000   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   3.5000   0.0660   0.007500   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   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   72   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   76   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   77   2.4200   0.0300   0.200000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   490.000  1.335
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    64   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    71   360.000  1.404
   54    58   469.000  1.400
   54    60   450.000  1.364
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   420.000  1.354
   60    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.522
   69    70   570.000  1.229
   69    71   490.000  1.335
   71    72   337.000  1.449
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   390.000  1.470
   75    76   985.000  1.221
   76    77   410.000  1.067
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   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    70.00000  112.33000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    70.00000  116.60000
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  121.96500
   37    42    44    70.00000  121.37400
   42    37    38    80.00000  122.90000
   42    43    46    70.00000  119.01900
   42    43    64    70.00000  119.01900
   42    44    45    80.00000  122.90000
   42    44    48    70.00000  116.60000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   43    64    58    63.00000  120.00000
   43    64    65    80.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    71    70.00000  119.01900
   50    46    47    35.00000  120.00000
   50    54    58    63.00000  120.00000
   50    54    60    70.00000  120.00000
   50    71    69    65.00000  121.96500
   50    71    72    70.00000  121.06000
   54    58    59    35.00000  120.00000
   54    58    64    63.00000  120.00000
   54    60    66    75.00000  111.00000
   58    64    65    80.00000  120.00000
   64    43    46    63.00000  120.00000
   64    58    59    35.00000  120.00000
   60    54    58    70.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    90.00000  108.55600
   66    69    70    80.00000  120.40000
   66    69    71    70.00000  116.60000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    50.00000  121.90000
   71    50    54    70.00000  119.01900
   71    69    70    80.00000  122.90000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    80.00000  111.92500
   72    75    76    30.00000  179.48800
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  108.50000
   75    72    74    35.00000  108.50000
   75    76    77    20.00000  179.85100
   44    42    43    65.00000  121.96500
   44    48    49    35.00000  109.50000
   44    48    51    63.00000  111.10000
   48    33    37    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    39    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    48    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.76000  1.0 1.0
   33    37    42    43   4.11600 -1.0 2.0
   33    37   -42    44   2.45000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.56750  1.0 1.0
   33    48    51    55  -0.07550 -1.0 2.0
   33    48    51    55   0.20000  1.0 3.0
   37    33   -48    44   0.11950  1.0 1.0
   37    33   -48    44   0.20300 -1.0 2.0
   37    33   -48    44  -0.70800  1.0 3.0
   37    33    48    49  -0.11250  1.0 3.0
   37    33    48    51  -0.95700  1.0 1.0
   37    33    48    51  -0.18200 -1.0 2.0
   37    33    48    51   0.29450  1.0 3.0
   37    33    39    61  -0.95700  1.0 1.0
   37    33    39    61  -0.18200 -1.0 2.0
   37    33    39    61   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    46   1.00100  1.0 1.0
   37    42    43    46   0.85050 -1.0 2.0
   37    42    43    64   1.00100  1.0 1.0
   37    42    43    64   0.85050 -1.0 2.0
   37    42    44    45   2.22250 -1.0 2.0
   37    42   -44    48   2.45000 -1.0 2.0
   38    37    42    43   0.04000 -1.0 2.0
   38    37    42    44   2.22250 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    64    58   3.62500 -1.0 2.0
   42    43    64    65   3.62500 -1.0 2.0
   42    44   -48    33   1.39750  1.0 1.0
   42    44   -48    33  -0.07950 -1.0 2.0
   42    44   -48    33  -0.18750  1.0 3.0
   42    44    48    49   0.00000  1.0 1.0
   42    44    48    51   1.39750  1.0 1.0
   42    44    48    51  -0.07950 -1.0 2.0
   42    44    48    51  -0.18750  1.0 3.0
   43    42    44    45   0.04000 -1.0 2.0
   43    42    44    48   0.76000  1.0 1.0
   43    42    44    48   4.11600 -1.0 2.0
   43    46    50    54   3.62500 -1.0 2.0
   43    46    50    71   3.62500 -1.0 2.0
   46    43    64    58   3.62500 -1.0 2.0
   46    43    64    65   3.62500 -1.0 2.0
   46    50   -54    58   3.62500 -1.0 2.0
   46    50    54    60   3.62500 -1.0 2.0
   46    50    71    69   1.00100  1.0 1.0
   46    50    71    69   0.85050 -1.0 2.0
   46    50    71    72   0.81400  1.0 1.0
   46    50    71    72   1.55550 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    71   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54    58    64   3.62500 -1.0 2.0
   50    54    60    66   1.63200 -1.0 2.0
   50    71    72    73   0.00000  1.0 1.0
   50    71    72    74   0.00000  1.0 1.0
   50    71    72    75   0.17850 -1.0 2.0
   54    50    71    69   1.00100  1.0 1.0
   54    50    71    69   0.85050 -1.0 2.0
   54    50    71    72   0.81400  1.0 1.0
   54    50    71    72   1.55550 -1.0 2.0
   54    58   -64    43   3.62500 -1.0 2.0
   54    58    64    65   3.62500 -1.0 2.0
   54    60    66    67   0.08050  1.0 3.0
   54    60    66    68   0.08050  1.0 3.0
   54    60   -66    69  -0.25600  1.0 1.0
   54    60   -66    69  -0.40050 -1.0 2.0
   54    60   -66    69   0.34700  1.0 3.0
   58    54    60    66   1.63200 -1.0 2.0
   59    58    64    43   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   64    43    46    47   3.62500 -1.0 2.0
   64    43   -46    50   3.62500 -1.0 2.0
   60    54    58    59   3.62500 -1.0 2.0
   60    54    58    64   3.62500 -1.0 2.0
   60    66    69    70   0.30150 -1.0 2.0
   60    66    69    71   0.00000  1.0 1.0
   66    69   -71    50   0.76000  1.0 1.0
   66    69   -71    50   4.11600 -1.0 2.0
   66    69    71    72   1.49850  1.0 1.0
   66    69    71    72   1.53950 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.00000  1.0 1.0
   69    71    72    73   0.00000  1.0 1.0
   69    71    72    74   0.00000  1.0 1.0
   69    71    72    75  -0.42300  1.0 1.0
   69    71    72    75  -0.07000 -1.0 2.0
   69    71    72    75   0.04150  1.0 3.0
   70    69    71    50   0.04000 -1.0 2.0
   70    69    71    72   3.04450 -1.0 2.0
   71    50    54    58   3.62500 -1.0 2.0
   71    50   -54    60   3.62500 -1.0 2.0
   71    72    75    76   0.00000  1.0 1.0
   72    75    76    77   0.00000  1.0 1.0
   73    72    75    76   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    64   1.00100  1.0 1.0
   44    42    43    64   0.85050 -1.0 2.0
   44    48    51    52  -0.11250  1.0 3.0
   44    48    51    53  -0.11250  1.0 3.0
   44    48    51    55  -0.95700  1.0 1.0
   44    48    51    55  -0.18200 -1.0 2.0
   44    48    51    55   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.30150 -1.0 2.0
   48    33    37    38   0.30150 -1.0 2.0
   48    33   -37    42   1.39750  1.0 1.0
   48    33   -37    42  -0.07950 -1.0 2.0
   48    33   -37    42  -0.18750  1.0 3.0
   48    33    39    61   0.56750  1.0 1.0
   48    33    39    61  -0.07550 -1.0 2.0
   48    33    39    61   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    61   0.56750  1.0 1.0
   48    51   -55    61  -0.07550 -1.0 2.0
   48    51   -55    61   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    63   0.15000  1.0 3.0
   51    55    61    39   0.56750  1.0 1.0
   51    55    61    39  -0.07550 -1.0 2.0
   51    55    61    39   0.20000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    61   0.15000  1.0 3.0
   55    61   -39    33   0.56750  1.0 1.0
   55    61   -39    33  -0.07550 -1.0 2.0
   55    61   -39    33   0.20000  1.0 3.0
   55    61    39    40   0.15000  1.0 3.0
   55    61    39    41   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    39   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    39   0.15000  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    41   0.15000  1.0 3.0
   63    61    39    33   0.15000  1.0 3.0
   63    61    39    40   0.15000  1.0 3.0
   63    61    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   1.39750  1.0 1.0
   39    33    37    42  -0.07950 -1.0 2.0
   39    33    37    42  -0.18750  1.0 3.0
   39    33    48    44  -0.95700  1.0 1.0
   39    33    48    44  -0.18200 -1.0 2.0
   39    33    48    44   0.29450  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33   -48    51   0.56750  1.0 1.0
   39    33   -48    51  -0.07550 -1.0 2.0
   39    33   -48    51   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    37    42    43   1.00000 -1.0 2.0
   46    64    43    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   54    71    50    46   4.00000 -1.0 2.0
   58    60    54    50   4.00000 -1.0 2.0
   64    59    58    54   1.10000 -1.0 2.0
   58    65    64    43   4.00000 -1.0 2.0
   66    71    69    70  10.50000 -1.0 2.0
   72    69    71    50   1.00000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
END
