* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    164    253     471
    1     0 S   NP   _N1_     1    28.87519    95.78692   -23.64596
    2     1 S   H    _HN1     2     1.02954    72.16820    33.24698
    3     1 S   H    _H1_     3     1.02832    38.35131  -172.21039
    4     1 S   H    _H2_     4     1.02775   104.60693   -71.72018
    5     1 S   CT   _CA1     5     1.50117   139.19147   134.05303
    6     5 S   HC   _HA1     6     1.09573   105.20362    91.53550
    7     5 S   CO3  _C1_     7     1.53787   112.43106   -28.68158
    8     7 S   O2Z  _O11     8     1.26370   114.99532   -42.54320
    9     7 S   O2Z  _O12     9     1.26236   114.94765   136.57730
   10     5 S   CT   _CB1    10     1.53086   107.43352  -150.49421
   11    10 S   HC   HB11    11     1.09841   109.37753   -50.04465
   12    10 S   HC   HB12    12     1.09814   110.43014    66.55183
   13    10 S   CT   _CG1    13     1.53009   112.62279  -171.04711
   14    13 S   HC   HG11    14     1.09578   110.63572   -65.61681
   15    13 S   HC   HG12    15     1.09670   109.79610    53.64478
   16    13 S   C    _CD1    16     1.51781   112.18660   174.09011
   17    16 S   O    _OE1    17     1.22705   123.13760     7.32611
   18    16 S   N    _N2_    18     1.38551   111.69241  -172.93647
   19    18 S   H    _HN2    19     1.01613   118.84208    -1.38423
   20    18 S   CT1  _CA2    20     1.46243   123.61654   177.17742
   21    20 S   HC   _HA2    21     1.09538   108.89086   -17.95334
   22    20 S   C    _C2_    22     1.53337   108.00513  -132.71757
   23    22 S   O    _O2_    23     1.22984   122.59409  -146.91390
   24    20 S   CT   _CB2    32     1.53311   111.76579   104.60306
   25    24 S   HC   HB21    33     1.09619   109.89743    50.30328
   26    24 S   HC   HB22    34     1.09523   111.72388   168.64079
   27    22 S   N    _N3_    24     1.38408   113.17898    40.78489
   28    27 S   H    _HN3    25     1.01659   119.45087    -3.69888
   29    24 S   S    _SG2    35     1.82691   112.64019   -69.40144
   30    27 S   CT   _CA3    26     1.45256   123.17455   176.57326
   31    30 S   HC   HA31    27     1.09556   107.65538   -59.80176
   32    30 S   HC   HA32    28     1.09548   107.80943    56.61494
   33    29 S   CT   _C23    36     1.83093    99.43397   -82.32735
   34    33 S   HC   _H3_    37     1.09494   107.19422   -76.99790
   35    33 S   HC   _H4_    38     1.08978   107.93411    38.86094
   36    30 S   CO3  _C3_    29     1.52933   114.07118   178.47248
   37    36 S   O2Z  _O31    30     1.26370   116.04375    -1.68214
   38    36 S   O2Z  _O32    31     1.26417   114.42324   178.33129
   39    33 S   CT   _C14    39     1.53639   111.58461   160.77661
   40    39 S   HC   _H36    40     1.09631   111.83724   -50.73900
   41    39 S   CO4  _C7_    41     1.50913   109.82063    71.33054
   42    41 S   O    _O22    42     1.22083   126.16719   -83.09643
   43    41 S   OS   _O25    43     1.36372   109.61747    95.30719
   44    43 S   CT   _C16    44     1.44096   110.41695     4.19554
   45    44 S   HC   _H38    45     1.09450   107.41169   -96.40900
   46    39 S   CT   _C15    46     1.54986   115.66114  -176.29847
   47    46 S   HC   _H37    47     1.10119   105.71201   166.07413
   48    44 S   C3T  _C17    62     1.49334   107.50767   143.33414
   49    48 S   HC   _H39    63     1.08155   112.68273   -84.10189
   50    46 S   CT   _C18    48     1.55599   115.43453    47.52681
   51    50 S   HC   _H40    49     1.09695   108.98619   -78.68191
   52    79 S   O3T  _O26    64     1.43311   115.81987  -138.58557
   53    50 S   CT   _C11    50     1.55165   115.62678   155.45337
   54    53 S   HC   _H31    51     1.09844   108.57146   -50.27773
   55    53 S   HC   _H32    52     1.09772   109.68536  -163.67570
   56    50 S   OS   _O27    72     1.45868   107.00530    39.20580
   57    53 S   CM   _C5_    53     1.47853   115.80589    74.33295
   58    56 S   CO4  _C10    73     1.36302   117.46925  -152.70456
   59    58 S   O    _O23    74     1.21898   126.52423     0.88249
   60    57 S   CM   _C4_    54     1.33102   128.73264  -114.86402
   61    60 S   HC   _H29    55     1.08119   124.74240    -1.97665
   62    58 S   CM   _C8_    75     1.48159   107.35624  -178.39331
   63    62 S   HC   _H30    76     1.08753   115.34846    13.07287
   64    60 S   CT   _C13    56     1.47842   110.53262   167.24573
   65    64 S   HC   _H35    57     1.09454   111.21869   130.05221
   66    62 S   CM   _C9_    77     1.34572   125.25620  -167.48283
   67    64 S   CT   _C12    58     1.54312   112.07669  -105.00955
   68    67 S   HC   _H33    59     1.09664   108.96464   178.57728
   69    67 S   HC   _H34    60     1.09766   109.25140   -65.18031
   70    64 S   OS   _O24    69     1.43307   103.45314    13.66142
   71    66 S   CT   _C20    78     1.50632   119.92921  -178.49078
   72    71 S   HC   _H41    79     1.09491   110.20465   122.77135
   73    71 S   HC   _H42    80     1.09521   112.42724     2.72347
   74    71 S   HC   _H43    81     1.09488   110.27416  -117.31420
   75    66 S   CT   _C21    82     1.50290   125.60854     2.28276
   76    75 S   HC   _H44    83     1.09298   112.65623    31.44904
   77    75 S   HC   _H45    84     1.09427   110.24880   -90.94142
   78    75 S   HC   _H46    85     1.09514   110.58794   149.89737
   79    67 S   C3T  _C19    61     1.52001   113.07658    57.56948
   80    57 S   CO4  _C6_    70     1.46830   124.81449    63.62160
   81    80 S   O    _O21    71     1.21818   125.74161     5.83452
   82    79 S   CT   _C22    65     1.50381   117.01469    87.13923
   83    82 S   HC   _H47    66     1.09575   111.79892   154.21272
   84    82 S   HC   _H48    67     1.09480   110.92777    34.94359
   85    82 S   HC   _H49    68     1.09253   111.20508   -85.50206
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  11   5   4   6   8   6   3  10   5  10   3   9
   6   8   9   4   3   3   7   3   2   1   3   2   1   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    79    48    49    52  
   45    46    47    50    51    53    67    79    48    49    52    82    56  
   46    47    50    79    48    49    52  
   47    50    51    53    54    55    57    79    48    49    52    56    58  
   50    51    53    48    56  
   49    52    82    83    84    85    50    64    67    68    69    79  
   52    82    67    79  
   51    53    54    55    57    60    80    56    58    59    62  
   53    54    55    57    56    58  
   82    83    84    85    64    67    68    69    79  
   54    55    57    60    61    64    70    80    81    56    58  
   55    57    60    80    56  
   57    60    80    56  
   58    59    62    63    66    57  
   60    61    64    65    67    70    80    81  
   59    62    63    66    71    75  
   62    63    66  
   61    64    65    67    68    69    79    70    80    81  
   64    65    67    70    80  
   63    66    71    72    73    74    75    76    77    78  
   66    71    75  
   65    67    68    69    79    82    70    80    81  
   67    68    69    79    70    80  
   71    72    73    74    75    76    77    78  
   68    69    79    82    83    84    85    70    80  
   69    79    82    70  
   79    82    70  
   80    81    79  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   82    83    84    85  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    80   320.000  1.462
   60    61   340.000  1.080
   60    64   317.000  1.510
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    79   275.000  1.510
   79    48   260.000  1.509
   79    52   335.000  1.432
   79    82   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   70    80   214.000  1.327
   80    81   570.000  1.229
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    62   320.000  1.462
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    71   317.000  1.510
   66    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    79    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    80    65.00000  116.34900
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    64    70.00000  124.00000
   57    80    70    90.00000  111.29400
   57    80    81    80.00000  123.72100
   60    64    65    35.00000  109.50000
   60    64    67    70.00000  112.02700
   60    64    70    85.00000  110.90400
   64    60    61    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    79    70.00000  112.37300
   64    70    80    83.00000  116.90000
   67    64    65    37.50000  110.70000
   67    79    48    60.00000  120.94000
   67    79    52    80.00000  116.47100
   67    79    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   79    67    68    45.00000  109.38400
   79    67    69    45.00000  109.38400
   79    48    49    37.50000  117.20000
   79    48    52    15.00000   60.43100
   79    52    48    15.00000   59.14900
   79    82    83    45.00000  109.38400
   79    82    84    45.00000  109.38400
   79    82    85    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    79    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   82    79    48    60.00000  120.94000
   82    79    52    80.00000  116.47100
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    67    50.00000  109.50000
   70    80    81    83.00000  123.40000
   80    57    60    65.00000  118.96000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    62    90.00000  111.29400
   58    62    63    40.00000  117.72500
   58    62    66    65.00000  118.96000
   62    58    59    80.00000  123.72100
   62    66    71    70.00000  124.00000
   62    66    75    70.00000  124.00000
   66    62    63    35.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   66    75    76    35.00000  109.50000
   66    75    77    35.00000  109.50000
   66    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    79  -0.26800  1.0 1.0
   43    44    48    79   0.69150 -1.0 2.0
   43    44    48    79  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    79   0.06250  1.0 1.0
   44    48   -52    79  -0.01100 -1.0 2.0
   44    48   -52    79   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    79   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    79   0.07850  1.0 1.0
   46    44    48    79  -0.03950 -1.0 2.0
   46    44    48    79   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    80   0.09700  1.0 1.0
   50    53    57    80   0.15600 -1.0 2.0
   50    53    57    80  -0.50800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    62   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    64   7.00000 -1.0 2.0
   53    57    80    70  -0.15000  1.0 1.0
   53    57    80    70   0.89550 -1.0 2.0
   53    57    80    70  -0.06900  1.0 3.0
   53    57    80    81  -0.64400  1.0 1.0
   53    57    80    81   0.26850 -1.0 2.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    80   0.15000  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    80   0.15000  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    67   0.09850  1.0 1.0
   57    60    64    67   0.15250 -1.0 2.0
   57    60    64    67  -0.50650  1.0 3.0
   57    60   -64    70   0.39000  1.0 1.0
   57    60   -64    70  -0.05800 -1.0 2.0
   57    60   -64    70  -0.55150  1.0 3.0
   60    57   -80    70  -0.56150  1.0 1.0
   60    57   -80    70   2.19150 -1.0 2.0
   60    57    80    81   1.00000 -1.0 2.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    69   0.15000  1.0 3.0
   60    64    67    79   0.34400  1.0 1.0
   60    64    67    79   0.09450 -1.0 2.0
   60    64    67    79   0.11100  1.0 3.0
   60    64   -70    80  -0.82050  1.0 1.0
   60    64   -70    80   0.00600 -1.0 2.0
   60    64   -70    80   0.04400  1.0 3.0
   61    60    64    65   0.33100  1.0 3.0
   61    60    64    67   0.00000  1.0 1.0
   61    60    64    70   0.00000  1.0 1.0
   64    67    79    48   0.07850  1.0 1.0
   64    67    79    48  -0.03950 -1.0 2.0
   64    67    79    48   0.67350  1.0 3.0
   64    67    79    52   0.02550  1.0 1.0
   64    67    79    52  -0.02600 -1.0 2.0
   64    67    79    52   1.20400  1.0 3.0
   64    67    79    82   0.56750  1.0 1.0
   64    67    79    82  -0.07550 -1.0 2.0
   64    67    79    82   0.20000  1.0 3.0
   64    70   -80    57   2.00000 -1.0 2.0
   64    70    80    81   3.00000 -1.0 2.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    79   0.15000  1.0 3.0
   65    64    70    80   0.08050  1.0 3.0
   67    64    70    80  -0.25900  1.0 1.0
   67    64    70    80  -0.47000 -1.0 2.0
   67    64    70    80   0.11750  1.0 3.0
   67    79    48    44   0.56750  1.0 1.0
   67    79    48    44  -0.07550 -1.0 2.0
   67    79    48    44   0.20000  1.0 3.0
   67    79    48    49   0.15000  1.0 3.0
   67    79   -48    52   0.02550  1.0 1.0
   67    79   -48    52  -0.02600 -1.0 2.0
   67    79   -48    52   1.20400  1.0 3.0
   67    79   -52    48   0.06250  1.0 1.0
   67    79   -52    48  -0.01100 -1.0 2.0
   67    79   -52    48   0.28050  1.0 3.0
   67    79    82    83   0.15000  1.0 3.0
   67    79    82    84   0.15000  1.0 3.0
   67    79    82    85   0.15000  1.0 3.0
   68    67    79    48   0.15000  1.0 3.0
   68    67    79    52   0.23400  1.0 3.0
   68    67    79    82   0.15000  1.0 3.0
   69    67    79    48   0.15000  1.0 3.0
   69    67    79    52   0.23400  1.0 3.0
   69    67    79    82   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    79    82    83   0.15000  1.0 3.0
   48    79    82    84   0.15000  1.0 3.0
   48    79    82    85   0.15000  1.0 3.0
   49    48   -52    79   0.36800  1.0 3.0
   52    79   -48    44   0.02550  1.0 1.0
   52    79   -48    44  -0.02600 -1.0 2.0
   52    79   -48    44   1.20400  1.0 3.0
   52    79   -48    49   0.23400  1.0 3.0
   52    79    82    83   0.23400  1.0 3.0
   52    79    82    84   0.23400  1.0 3.0
   52    79    82    85   0.23400  1.0 3.0
   82    79    48    44   0.56750  1.0 1.0
   82    79    48    44  -0.07550 -1.0 2.0
   82    79    48    44   0.20000  1.0 3.0
   82    79    48    49   0.15000  1.0 3.0
   82    79   -48    52   0.02550  1.0 1.0
   82    79   -48    52  -0.02600 -1.0 2.0
   82    79   -48    52   1.20400  1.0 3.0
   82    79   -52    48   0.06250  1.0 1.0
   82    79   -52    48  -0.01100 -1.0 2.0
   82    79   -52    48   0.28050  1.0 3.0
   70    64    67    68   0.23400  1.0 3.0
   70    64    67    69   0.23400  1.0 3.0
   70    64    67    79  -0.26800  1.0 1.0
   70    64    67    79   0.69150 -1.0 2.0
   70    64    67    79  -0.48750  1.0 3.0
   80    57    60    61   7.00000 -1.0 2.0
   80    57   -60    64   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    62    63   1.63100 -1.0 2.0
   56    58    62    66  -0.56150  1.0 1.0
   56    58    62    66   2.19150 -1.0 2.0
   58    62    66    71   7.00000 -1.0 2.0
   58    62    66    75   7.00000 -1.0 2.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    66   1.00000 -1.0 2.0
   62    66    71    72   0.00000  1.0 1.0
   62    66    71    73   0.00000  1.0 1.0
   62    66    71    74   0.00000  1.0 1.0
   62    66    75    76   0.00000  1.0 1.0
   62    66    75    77   0.00000  1.0 1.0
   62    66    75    78   0.00000  1.0 1.0
   63    62    66    71   7.00000 -1.0 2.0
   63    62    66    75   7.00000 -1.0 2.0
   71    66    75    76   0.34800  1.0 3.0
   71    66    75    77   0.34800  1.0 3.0
   71    66    75    78   0.34800  1.0 3.0
   75    66    71    72   0.34800  1.0 3.0
   75    66    71    73   0.34800  1.0 3.0
   75    66    71    74   0.34800  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    80    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   57    70    80    81  10.50000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   58    63    62    66  15.00000 -1.0 2.0
   71    75    66    62  15.00000 -1.0 2.0
END
