* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    171    269     492
    1     0 S   NP   _N1_     1    28.69794    94.59717   -17.19952
    2     1 S   H    _HN1     2     1.03097   105.38200    39.70262
    3     1 S   H    _H1_     3     1.02825    40.46582   137.89295
    4     1 S   H    _H2_     4     1.02766    70.15954   -64.52420
    5     1 S   CT   _CA1     5     1.50070   140.20861  -165.84893
    6     5 S   HC   _HA1     6     1.09561   105.29026    23.28233
    7     5 S   CO3  _C1_     7     1.53788   112.21018   -97.15310
    8     7 S   O2Z  _O11     8     1.26349   115.01314   -48.16173
    9     7 S   O2Z  _O12     9     1.26221   114.92785   131.01875
   10     5 S   CT   _CB1    10     1.52988   107.50483   141.27582
   11    10 S   HC   HB11    11     1.09799   109.57794   -48.83588
   12    10 S   HC   HB12    12     1.09679   110.29678    67.93902
   13    10 S   CT   _CG1    13     1.52975   112.77843  -170.27120
   14    13 S   HC   HG11    14     1.09529   110.30809   -57.97665
   15    13 S   HC   HG12    15     1.09596   110.35046    61.15708
   16    13 S   C    _CD1    16     1.51787   111.51079  -179.01981
   17    16 S   O    _OE1    17     1.22763   122.90146   -22.32711
   18    16 S   N    _N2_    18     1.38529   112.05927   158.86482
   19    18 S   H    _HN2    19     1.01563   119.14961     1.85256
   20    18 S   CT1  _CA2    20     1.46198   123.21354  -176.95959
   21    20 S   HC   _HA2    21     1.09731   109.51038   -12.54178
   22    20 S   C    _C2_    22     1.53332   108.09683  -128.39808
   23    22 S   O    _O2_    23     1.23009   122.32992  -142.69227
   24    20 S   CT   _CB2    32     1.53528   111.29397   109.53518
   25    24 S   HC   HB21    33     1.09263   109.36242    58.16014
   26    24 S   HC   HB22    34     1.09535   109.94099   175.99689
   27    22 S   N    _N3_    24     1.38529   113.26118    44.38122
   28    27 S   H    _HN3    25     1.01530   118.92831    -0.33161
   29    24 S   S    _SG2    35     1.83014   111.40353   -65.36282
   30    27 S   CT   _CA3    26     1.45439   123.32015   175.14255
   31    30 S   HC   HA31    27     1.09533   109.06121    27.48325
   32    30 S   HC   HA32    28     1.09490   107.15893   144.47429
   33    29 S   CT   _C10    36     1.92583   103.48409   148.30592
   34    30 S   CO3  _C3_    29     1.52948   113.26976   -95.85896
   35    34 S   O2Z  _O31    30     1.26390   115.48451   -42.38191
   36    34 S   O2Z  _O32    31     1.26367   114.92398   138.54938
   37    33 S   CM   _C15    37     1.55882   103.43111   172.64798
   38    33 S   CT   _C9_    72     1.56846   106.79066    54.24727
   39    38 S   HC   _H16    73     1.09516   110.20839    73.73966
   40    38 S   HC   _H17    74     1.09370   111.47608   -43.56427
   41    37 S   N4   _N5_    38     1.36593   119.62582    96.75122
   42    37 S   CMA  _C16    69     1.53851   120.97613   -73.54803
   43    42 S   OM   _O34    70     1.26297   120.07721  -108.97090
   44    42 S   OM   _O35    71     1.26287   121.65792    72.07665
   45    38 S   NP   _N4_    75     1.55653   118.98640  -163.97338
   46    41 S   C4   _C14    39     1.35409   136.46028  -163.00377
   47    46 S   O    _O33    40     1.20871   134.50899    -5.88157
   48    41 S   C4T  _C12    43     1.44958   126.94709    21.24497
   49    48 S   HC   _H3_    44     1.09779   111.94008    78.01904
   50    45 S   CT   _C5_    76     1.54764   112.40421    75.20343
   51    50 S   HC   _H8_    77     1.09407   108.22930    10.45466
   52    50 S   HC   _H9_    78     1.09368   109.79433  -110.10785
   53    45 S   CT   _C4_    88     1.52018   113.31505   -51.47421
   54    53 S   HC   _H5_    89     1.08982   108.40400   -62.64459
   55    53 S   HC   _H6_    90     1.08958   109.70382    59.71459
   56    53 S   HC   _H7_    91     1.09508   108.22877   178.67500
   57    46 S   C4T  _C13    41     1.56935    89.51034   169.72538
   58    57 S   HC   _H4_    42     1.09470   114.00719   126.56807
   59    48 S   S    _S1_    45     1.80526   110.83458   -49.89890
   60    50 S   CT   _C6_    79     1.51628   105.61437   128.39672
   61    60 S   HC   _H10    80     1.09370   112.06611  -156.39241
   62    60 S   HC   _H11    81     1.09647   110.45152    83.05329
   63    33 S   CT   _C11    46     1.55541   105.69468   -67.48744
   64    63 S   HC   _H18    47     1.09201   112.76604    55.87615
   65    63 S   HC   _H19    48     1.09123   110.77565   174.59376
   66    57 S   N    _N6_    49     1.47866   113.03402  -104.07981
   67    66 S   H    _H20    50     1.01901   119.03719   107.57369
   68    60 S   CT   _C7_    82     1.50891   103.03903   -35.17295
   69    68 S   HC   _H12    83     1.09357   112.52620   165.65519
   70    68 S   HC   _H13    84     1.09629   110.75396   -73.06901
   71    66 S   C    _C17    51     1.37857   122.43875   -64.85996
   72    71 S   O    _O36    52     1.22058   128.49194   -12.70046
   73    45 S   CT   _C8_    85     1.56655   107.87391  -170.61205
   74    73 S   HC   _H14    86     1.09610   108.01779   137.81870
   75    73 S   HC   _H15    87     1.09365   110.21949    18.37323
   76    71 S   CD   _C18    53     1.50742   112.59114   163.33027
   77    76 S   C5B  _C20    54     1.45381   118.54968   -74.25998
   78    76 S   NI   _N7_    63     1.29804   122.47957   105.53748
   79    77 S   C5A  _C21    55     1.38083   126.30539  -175.25864
   80    79 S   HA   _H24    56     1.08070   128.95960     1.07119
   81    78 S   OS   _O37    64     1.40203   111.01321    -0.28255
   82    79 S   SA   _S2_    57     1.71386   110.02161  -178.57894
   83    81 S   CT   _C19    65     1.41913   108.41449   176.71532
   84    83 S   HC   _H21    66     1.09315   108.46225  -178.73051
   85    83 S   HC   _H22    67     1.09402   110.36681    62.30334
   86    83 S   HC   _H23    68     1.09441   110.38889   -59.70244
   87    82 S   CRA  _C22    58     1.72325    90.04051    -0.06256
   88    77 S   N5B  _N8_    59     1.38687   119.36190     5.68200
   89    87 S   NE   _N9_    60     1.34584   120.88142   179.54846
   90    89 S   H    _H25    61     1.01869   121.30381  -178.34153
   91    89 S   H    _H26    62     1.01306   122.43847    -1.15521
  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  17  21   6   5  12   5   1   1  17   9   4  10
   5  15   7   6   8   3   2   1   8   4   4   8   5   4   2   1
   1   6   3   5   4   3   7   3   2   1   1   9   8   7   5   3
   4   5   3   2   1   1   4   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    63    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    59    63    64    65    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    59    63    64    65    42    43    44    38    39    40    45    50    73    53  
   35    36  
   36  
    0  
   41    46    47    57    48    49    59    63    64    65    42    43    44    38    39    40    45  
   39    40    45    50    51    52    60    68    73    74    75    53    54    55    56    41    42    59    63    64    65  
   40    45    50    73    53    63  
   45    50    73    53    63  
   46    47    57    58    48    49    59    63    66    42    43    44  
   43    44    46    48    63  
   44  
    0  
   50    51    52    60    61    62    68    69    70    73    74    75    53    54    55    56    63  
   47    57    58    48    49    59    66    67    71  
   57    58    48    66  
   49    59    63    64    65    66    67    71    57    58  
   59    63    66    57    58  
   51    52    60    61    62    68    69    70    73    74    75    53    54    55    56  
   52    60    61    62    68    73    53  
   60    61    62    68    73    53  
   54    55    56    60    68    73    74    75  
   55    56    73  
   56    73  
   73  
   58    59    63    66    67    71    72    76  
   59    66    67    71  
   63    64    65    66  
   61    62    68    69    70    73    74    75  
   62    68    69    70    73  
   68    69    70    73  
   64    65  
   65  
    0  
   67    71    72    76    77    78  
   71    72    76  
   69    70    73    74    75  
   70    73    74    75  
   73    74    75  
   72    76    77    79    88    78    81  
   76    77    78  
   74    75  
   75  
    0  
   77    79    80    82    87    88    78    81    83  
   79    80    82    87    88    89    78    81  
   81    83    84    85    86    79    88  
   80    82    87    88    89  
   82    87    88  
   83    84    85    86  
   87    88    89    90    91  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   78   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   79   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   81   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   83   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   88   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   89   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   90   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   91   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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  1.510
   33    63   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    57   250.000  1.540
   57    58   340.000  1.090
   57    48   268.000  1.529
   57    66   337.000  1.449
   48    49   340.000  1.090
   48    59   200.000  1.824
   59    63   222.000  1.810
   63    64   340.000  1.090
   63    65   340.000  1.090
   66    67   434.000  1.010
   66    71   490.000  1.335
   71    72   570.000  1.229
   71    76   270.000  1.486
   76    77   305.000  1.466
   76    78   500.000  1.261
   77    79   520.000  1.370
   77    88   410.000  1.394
   79    80   367.000  1.080
   79    82   265.000  1.745
   82    87   250.000  1.765
   87    88   488.000  1.335
   87    89   420.000  1.385
   89    90   434.000  1.010
   89    91   434.000  1.010
   78    81   320.000  1.394
   81    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   367.000  1.471
   45    50   367.000  1.471
   45    73   367.000  1.471
   45    53   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   29    33    63    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    63    59    75.00000  111.63000
   33    63    64    37.50000  110.70000
   33    63    65    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    80.00000  111.20000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    57    95.00000   92.72400
   41    48    57   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    59    80.00000  108.62000
   46    57    58    40.00000  113.37500
   46    57    48   100.00000   86.36000
   46    57    66    75.00000  110.24000
   57    46    47    60.00000  136.58000
   57    48    49    37.50000  110.70000
   57    48    59    65.00000  119.05700
   57    66    67    38.00000  118.40000
   57    66    71    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    57    58    37.50000  110.70000
   48    59    63    85.00000   99.86700
   59    48    49    45.00000  109.41400
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   63    33    37    70.00000  112.02700
   65    63    64    33.00000  107.80000
   66    57    58    50.00000  112.01000
   66    57    48    80.00000  110.05700
   66    71    72    80.00000  122.90000
   66    71    76    75.00000  109.57000
   71    66    67    35.00000  119.80000
   71    76    77    75.00000  114.44000
   71    76    78    65.00000  123.79500
   76    71    72    80.00000  120.45000
   76    77    79    60.00000  121.09900
   76    77    88    60.00000  126.00000
   76    78    81   100.00000  109.52600
   77    79    80    35.00000  130.70000
   77    79    82    80.00000  111.29200
   77    88    87    70.00000  110.00000
   79    82    87   120.00000   89.04400
   82    79    80    40.00000  122.38200
   82    87    88    80.00000  114.57700
   82    87    89    70.00000  122.29500
   87    89    90    35.00000  113.50000
   87    89    91    35.00000  113.50000
   88    77    79    70.00000  111.00000
   89    87    88    75.00000  125.31200
   91    89    90    35.00000  109.00000
   78    76    77    65.00000  124.33800
   78    81    83   110.00000  106.71400
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    63    58.35000  112.70000
   38    45    50    75.00000  113.01200
   38    45    73    75.00000  113.01200
   38    45    53    75.00000  113.01200
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    60    80.00000  111.20000
   45    73    68    80.00000  111.20000
   45    73    74    35.00000  109.50000
   45    73    75    35.00000  109.50000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    56    35.00000  109.50000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    68    58.35000  112.70000
   52    50    51    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    52    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    73    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   70    68    69    33.00000  107.80000
   73    45    50    75.00000  113.01200
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   53    45    50    75.00000  113.01200
   53    45    73    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    63    59   0.56750  1.0 1.0
   29    33    63    59  -0.07550 -1.0 2.0
   29    33    63    59   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    65   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.47100  1.0 1.0
   33    38    45    73   0.47100  1.0 1.0
   33    38    45    53   0.47100  1.0 1.0
   37    33    63    59   0.56750  1.0 1.0
   37    33    63    59  -0.07550 -1.0 2.0
   37    33    63    59   0.20000  1.0 3.0
   37    33    63    64   0.15000  1.0 3.0
   37    33    63    65   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45  -0.47300  1.0 1.0
   37    33    38    45   0.29700 -1.0 2.0
   37    33    38    45   0.83300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    57   3.00000 -1.0 2.0
   37    41   -48    57   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    59   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    57    58   0.00000  1.0 1.0
   41    46   -57    48   3.00000 -1.0 2.0
   41    46    57    66   0.00000  1.0 1.0
   41    48    59    63   0.01700  1.0 1.0
   41    48    59    63  -0.23550 -1.0 2.0
   41    48    59    63   0.21350  1.0 3.0
   46    41   -48    57   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    59   0.00000  1.0 1.0
   46    57   -48    41   3.00000 -1.0 2.0
   46    57   -48    49   0.15000  1.0 3.0
   46    57   -48    59   0.00000  1.0 1.0
   46    57    66    67   0.00000  1.0 1.0
   46    57    66    71  -0.42300  1.0 1.0
   46    57    66    71  -0.07000 -1.0 2.0
   46    57    66    71   0.04150  1.0 3.0
   47    46    57    58   0.00000  1.0 1.0
   47    46    57    48  -0.11250  1.0 1.0
   47    46    57    48   0.11400 -1.0 2.0
   47    46    57    48  -0.28950  1.0 3.0
   47    46    57    66   0.30150 -1.0 2.0
   57    48    59    63   0.25150  1.0 1.0
   57    48    59    63  -1.17200 -1.0 2.0
   57    48    59    63   0.53050  1.0 3.0
   57    66    71    72   3.04450 -1.0 2.0
   57    66    71    76   1.49850  1.0 1.0
   57    66    71    76   1.53950 -1.0 2.0
   58    57   -48    41   0.15000  1.0 3.0
   58    57    48    49   0.15000  1.0 3.0
   58    57    48    59   0.00000  1.0 1.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    71   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    57   3.00000 -1.0 2.0
   48    57    66    67   0.00000  1.0 1.0
   48    57    66    71  -0.43950  1.0 1.0
   48    57    66    71  -0.08100 -1.0 2.0
   48    57    66    71   0.03350  1.0 3.0
   48    59   -63    33  -0.25000 -1.0 2.0
   48    59   -63    33  -0.01800  1.0 3.0
   48    59    63    64   0.32350  1.0 3.0
   48    59    63    65   0.32350  1.0 3.0
   49    48    59    63   0.00000  1.0 1.0
   63    33   -37    41  -0.93550  1.0 1.0
   63    33   -37    41   0.38900 -1.0 2.0
   63    33   -37    41   0.16950  1.0 3.0
   63    33    37    42   0.09850  1.0 1.0
   63    33    37    42   0.15250 -1.0 2.0
   63    33    37    42  -0.50650  1.0 3.0
   63    33    38    39   0.15000  1.0 3.0
   63    33    38    40   0.15000  1.0 3.0
   63    33    38    45   1.36600  1.0 1.0
   63    33    38    45  -0.11450 -1.0 2.0
   63    33    38    45   0.24250  1.0 3.0
   66    57   -48    41   2.20050  1.0 1.0
   66    57   -48    41   0.63450 -1.0 2.0
   66    57   -48    41  -0.91300  1.0 3.0
   66    57    48    49   0.15000  1.0 3.0
   66    57    48    59   0.00000  1.0 1.0
   66    71    76    77   1.50000 -1.0 2.0
   66    71    76    78   1.50000 -1.0 2.0
   67    66    71    72   2.45000 -1.0 2.0
   67    66    71    76   2.56700 -1.0 2.0
   71    76    77    79   0.30050 -1.0 2.0
   71    76    77    79   0.16600  1.0 3.0
   71    76    77    88   0.30050 -1.0 2.0
   71    76    77    88   0.16600  1.0 3.0
   71    76    78    81   6.00000 -1.0 2.0
   72    71    76    77   1.00000 -1.0 2.0
   72    71    76    78   1.00000 -1.0 2.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77    79    82   3.62500 -1.0 2.0
   76    77    88    87   3.62500 -1.0 2.0
   76    78    81    83   1.50000 -1.0 2.0
   77    76    78    81   6.00000 -1.0 2.0
   77    79   -82    87   3.62500 -1.0 2.0
   79    77   -88    87   2.40000 -1.0 2.0
   79    82   -87    88   3.62500 -1.0 2.0
   79    82    87    89   3.62500 -1.0 2.0
   80    79    82    87   3.62500 -1.0 2.0
   82    87   -88    77   3.62500 -1.0 2.0
   82    87    89    90   0.47600 -1.0 2.0
   82    87    89    91   0.47600 -1.0 2.0
   88    77    79    80   3.62500 -1.0 2.0
   88    77   -79    82   3.62500 -1.0 2.0
   88    87    89    90   1.75000 -1.0 2.0
   88    87    89    91   1.75000 -1.0 2.0
   89    87    88    77   3.62500 -1.0 2.0
   78    76    77    79   1.02250 -1.0 2.0
   78    76    77    88   1.02250 -1.0 2.0
   78    81    83    84   0.37500  1.0 3.0
   78    81    83    85   0.37500  1.0 3.0
   78    81    83    86   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    63    59   0.44750  1.0 1.0
   38    33    63    59  -0.17800 -1.0 2.0
   38    33    63    59   0.20200  1.0 3.0
   38    33    63    64   0.15000  1.0 3.0
   38    33    63    65   0.15000  1.0 3.0
   38    45    50    51   0.15000  1.0 3.0
   38    45    50    52   0.15000  1.0 3.0
   38    45    50    60   0.47100  1.0 1.0
   38    45    73    68   0.47100  1.0 1.0
   38    45    73    74   0.15000  1.0 3.0
   38    45    73    75   0.15000  1.0 3.0
   38    45    53    54   0.15000  1.0 3.0
   38    45    53    55   0.15000  1.0 3.0
   38    45    53    56   0.15000  1.0 3.0
   39    38    45    50   0.15000  1.0 3.0
   39    38    45    73   0.15000  1.0 3.0
   39    38    45    53   0.15000  1.0 3.0
   40    38    45    50   0.15000  1.0 3.0
   40    38    45    73   0.15000  1.0 3.0
   40    38    45    53   0.15000  1.0 3.0
   45    50    60    61   0.19200  1.0 3.0
   45    50    60    62   0.19200  1.0 3.0
   45    50   -60    68   1.36600  1.0 1.0
   45    50   -60    68  -0.11450 -1.0 2.0
   45    50   -60    68   0.24250  1.0 3.0
   50    45   -73    68   0.47100  1.0 1.0
   50    45    73    74   0.15000  1.0 3.0
   50    45    73    75   0.15000  1.0 3.0
   50    45    53    54   0.15000  1.0 3.0
   50    45    53    55   0.15000  1.0 3.0
   50    45    53    56   0.15000  1.0 3.0
   50    60    68    69   0.15000  1.0 3.0
   50    60    68    70   0.15000  1.0 3.0
   50    60   -68    73   0.56750  1.0 1.0
   50    60   -68    73  -0.07550 -1.0 2.0
   50    60   -68    73   0.20000  1.0 3.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    68   0.15000  1.0 3.0
   52    50    60    61   0.15000  1.0 3.0
   52    50    60    62   0.15000  1.0 3.0
   52    50    60    68   0.15000  1.0 3.0
   60    68   -73    45   1.36600  1.0 1.0
   60    68   -73    45  -0.11450 -1.0 2.0
   60    68   -73    45   0.24250  1.0 3.0
   60    68    73    74   0.15000  1.0 3.0
   60    68    73    75   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    73   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    73   0.15000  1.0 3.0
   69    68    73    45   0.19200  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   70    68    73    45   0.19200  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   73    45    50    51   0.15000  1.0 3.0
   73    45    50    52   0.15000  1.0 3.0
   73    45   -50    60   0.47100  1.0 1.0
   73    45    53    54   0.15000  1.0 3.0
   73    45    53    55   0.15000  1.0 3.0
   73    45    53    56   0.15000  1.0 3.0
   53    45    50    51   0.15000  1.0 3.0
   53    45    50    52   0.15000  1.0 3.0
   53    45    50    60   0.47100  1.0 1.0
   53    45    73    68   0.47100  1.0 1.0
   53    45    73    74   0.15000  1.0 3.0
   53    45    73    75   0.15000  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    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    57    46    47  10.50000 -1.0 2.0
   67    71    66    57   1.00000 -1.0 2.0
   66    76    71    72  10.50000 -1.0 2.0
   71    77    76    78  10.50000 -1.0 2.0
   79    88    77    76   4.00000 -1.0 2.0
   82    80    79    77   1.10000 -1.0 2.0
   88    89    87    82   4.00000 -1.0 2.0
   91    87    89    90   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
END
