* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    161    267     489
    1     0 S   NP   _N1_     1    28.94664    96.76748   -25.10326
    2     1 S   H    _HN1     2     1.02807   120.92123  -100.88183
    3     1 S   H    _H1_     3     1.02948    69.19707    -1.36085
    4     1 S   H    _H2_     4     1.02826    37.92146   179.87333
    5     1 S   CT   _CA1     5     1.50142   124.10070    99.81069
    6     5 S   HC   _HA1     6     1.09571   105.14640    99.69615
    7     5 S   CO3  _C1_     7     1.53756   112.43593   -20.56628
    8     7 S   O2Z  _O11     8     1.26389   115.00535   -43.06403
    9     7 S   O2Z  _O12     9     1.26219   114.94455   135.83713
   10     5 S   CT   _CB1    10     1.53027   107.38575  -142.29253
   11    10 S   HC   HB11    11     1.09856   109.36845   -48.51134
   12    10 S   HC   HB12    12     1.09813   110.46280    68.06264
   13    10 S   CT   _CG1    13     1.53075   112.68789  -169.37351
   14    13 S   HC   HG11    14     1.09555   110.89916   -68.41170
   15    13 S   HC   HG12    15     1.09655   109.61271    50.86942
   16    13 S   C    _CD1    16     1.51807   111.46165   171.57158
   17    16 S   O    _OE1    17     1.22802   122.93326    21.36492
   18    16 S   N    _N2_    18     1.38601   112.18458  -158.77295
   19    18 S   H    _HN2    19     1.01588   119.12440     0.30001
   20    18 S   CT1  _CA2    20     1.46253   123.26074   175.82036
   21    20 S   HC   _HA2    21     1.09742   109.22575    10.05825
   22    20 S   C    _C2_    22     1.53758   109.03998  -105.50012
   23    22 S   O    _O2_    23     1.23096   122.16392  -149.91443
   24    20 S   CT   _CB2    32     1.53462   111.66719   132.01384
   25    24 S   HC   HB21    33     1.09415   109.50158    58.43299
   26    24 S   HC   HB22    34     1.09408   109.57293   177.15820
   27    22 S   N    _N3_    24     1.38288   113.97338    37.57387
   28    27 S   H    _HN3    25     1.01518   119.61535    -3.17151
   29    24 S   S    _SG2    35     1.82974   111.06777   -63.38484
   30    27 S   CT   _CA3    26     1.45274   123.40324   177.34355
   31    30 S   HC   HA31    27     1.09544   107.50510   -65.28634
   32    30 S   HC   HA32    28     1.09552   108.02387    51.20166
   33    29 S   CT   _C19    36     1.91822   102.06928   169.53638
   34    30 S   CO3  _C3_    29     1.53008   113.97373   173.19952
   35    34 S   O2Z  _O31    30     1.26400   116.08361    -0.55638
   36    34 S   O2Z  _O32    31     1.26422   114.42141   179.51141
   37    33 S   CM   _C6_    37     1.52294   104.57318   -63.52808
   38    37 S   HC   _H26    38     1.08777   118.17680    95.36931
   39    33 S   CT   _C13    71     1.53851   108.96925    58.46532
   40    39 S   HC   _H35    72     1.09619   111.57040   -60.22737
   41    39 S   HC   _H36    73     1.09718   110.14570  -175.37111
   42    37 S   CMA  _C7_    39     1.35290   122.16079   -83.76602
   43    42 S   OM   _O20    40     1.25862   131.22538   178.64694
   44    42 S   CM   _C4_    41     1.46879   117.17811     0.05234
   45    44 S   HC   _H24    42     1.08827   119.31970   160.30438
   46    44 S   CM   _C5_    43     1.34797   121.93424   -20.09437
   47    46 S   HC   _H25    44     1.08385   118.83311  -178.31379
   48    33 S   CT   _C18    45     1.59300   111.21711   178.43302
   49    48 S   CT   _C17    46     1.57503   109.13915   -59.72763
   50    49 S   HC   _H41    47     1.09798   107.87694    61.39708
   51    48 S   CT   _C21    78     1.56363   112.12408   179.22747
   52    51 S   HC   _H42    79     1.09235   113.09560    69.18905
   53    51 S   HC   _H43    80     1.09558   112.57059   -51.22988
   54    51 S   HC   _H44    81     1.09651   111.33414  -170.29613
   55    49 S   CT   _C12    48     1.54611   114.45821   177.67906
   56    55 S   HC   _H33    49     1.09452   110.83823    60.37768
   57    55 S   HC   _H34    50     1.09445   110.58878   -57.63777
   58    55 S   CT   _C14    51     1.52943   111.68622  -177.56105
   59    58 S   HC   _H37    52     1.09868   109.31275    66.04066
   60    58 S   HC   _H38    53     1.09761   109.73920  -179.30677
   61    58 S   CT   _C20    54     1.53773   112.86041   -55.87634
   62    61 S   CT   _C15    55     1.54306   109.03917    55.42239
   63    62 S   HC   _H39    56     1.10142   107.78297    60.32891
   64    61 S   CT   _C22    74     1.54224   109.65217   -71.29948
   65    64 S   HC   _H45    75     1.09475   111.93944  -171.44949
   66    64 S   HC   _H46    76     1.09255   113.15027    66.09547
   67    64 S   HC   _H47    77     1.09691   110.18036   -54.62827
   68    62 S   CT   _C10    57     1.52659   108.57556   174.67641
   69    68 S   HC   _H29    58     1.09533   111.22881  -176.23470
   70    68 S   HC   _H30    59     1.09558   110.86458    65.79662
   71    49 S   CT   _C16    66     1.56710   111.92758   -56.43746
   72    71 S   HC   _H40    67     1.09576   108.68426   -67.75395
   73    68 S   CT   _C9_    60     1.51973   110.19653   -56.68537
   74    73 S   HC   _H27    61     1.09692   109.07507   -78.92834
   75    73 S   HC   _H28    62     1.09588   108.72305   163.93831
   76    71 S   CT   _C11    68     1.54236   112.75158    49.53382
   77    76 S   HC   _H31    69     1.09682   109.41138  -167.04191
   78    76 S   HC   _H32    70     1.09619   109.72696    77.19047
   79    73 S   CO4  _C8_    63     1.50855   116.51118    41.41153
   80    79 S   O    _O21    64     1.22887   121.14824   159.83061
   81    61 S   OS   _O22    65     1.45196   106.54864   174.14700
  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
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  20   9   5   2   1   1  12   6   5  13   5   4  16  18   9   7
   3   2   1  11   6   5   6   3   5   4   3   2   1   1   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    46    48    49    76    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    71    76    77    78    39    40    41    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    76    39    40    41    51  
   42    43    44    48    39  
   40    41    51    42    46    48    49    62    71    72    76    77    78  
   41    48    71    76    77    78  
   48    71    76    77    78  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    71    51    52    53    54  
   48    49    51  
   49    50    55    56    57    58    62    71    72    76    51    52    53    54  
   50    55    56    57    58    59    60    61    62    63    68    71    72    76    77    78    51    52    53    54  
   55    56    57    58    62    71    72    76    51  
   52    53    54    55    71  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    81    71    72    76    64  
   57    58    59    60    61    71  
   58    59    60    61    71  
   59    60    61    62    63    68    79    81    71    64    65    66    67  
   60    61    62    81    64  
   61    62    81    64  
   62    63    68    69    70    73    79    80    81    71    72    76    64    65    66    67  
   63    68    69    70    73    74    75    79    81    71    72    76    77    78    64    65    66    67  
   68    69    70    73    81    71    72    76    64  
   65    66    67    68    71    79    81  
   66    67    81  
   67    81  
   81  
   69    70    73    74    75    79    80    81    71    72    76  
   70    73    74    75    79    71  
   73    74    75    79    71  
   72    76    77    78    73    81  
   76    77    78  
   74    75    79    80    81  
   75    79    80    81  
   79    80    81  
   77    78  
   78  
    0  
   80    81  
   81  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    71   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    81   320.000  1.410
   61    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    71   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
   73    79   317.000  1.522
   79    80   570.000  1.229
   79    81   214.000  1.327
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    76    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    37.50000  110.70000
   48    49    55    58.35000  112.70000
   48    49    71    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    71    62    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    76    58.35000  112.70000
   55    49    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    81    50.00000  109.50000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    68    58.35000  112.70000
   61    62    71    58.35000  112.70000
   61    81    79    83.00000  116.90000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    79    63.00000  111.10000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    79    80    80.00000  120.40000
   73    79    81    81.00000  111.40000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   81    61    62    50.00000  109.50000
   81    79    80    83.00000  123.40000
   71    49    50    37.50000  110.70000
   71    49    55    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    68    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    39    58.35000  112.70000
   76    71    72    37.50000  110.70000
   76    39    40    37.50000  110.70000
   76    39    41    37.50000  110.70000
   78    76    77    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    76    77    37.50000  110.70000
   39    76    78    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    61    62    58.35000  112.70000
   64    61    81    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    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   0.00000  1.0 1.0
   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    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
   29    33    48    49   0.44750  1.0 1.0
   29    33    48    49  -0.17800 -1.0 2.0
   29    33    48    49   0.20200  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    76   0.44750  1.0 1.0
   29    33    39    76  -0.17800 -1.0 2.0
   29    33    39    76   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   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    48    49    50   0.15000  1.0 3.0
   33    48    49    55   0.56750  1.0 1.0
   33    48    49    55  -0.07550 -1.0 2.0
   33    48    49    55   0.20000  1.0 3.0
   33    48    49    71   0.56750  1.0 1.0
   33    48    49    71  -0.07550 -1.0 2.0
   33    48    49    71   0.20000  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    54   0.15000  1.0 3.0
   37    33    48    46   0.31000  1.0 1.0
   37    33    48    46   0.14700 -1.0 2.0
   37    33    48    46   0.07550  1.0 3.0
   37    33    48    49   0.34400  1.0 1.0
   37    33    48    49   0.09450 -1.0 2.0
   37    33    48    49   0.11100  1.0 3.0
   37    33    48    51   0.34400  1.0 1.0
   37    33    48    51   0.09450 -1.0 2.0
   37    33    48    51   0.11100  1.0 3.0
   37    33    39    76   0.34400  1.0 1.0
   37    33    39    76   0.09450 -1.0 2.0
   37    33    39    76   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   7.00000 -1.0 2.0
   37    42   -44    46   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   42    44    46    48   7.00000 -1.0 2.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.09850  1.0 1.0
   44    46   -48    33   0.15250 -1.0 2.0
   44    46   -48    33  -0.50650  1.0 3.0
   44    46    48    49   0.09850  1.0 1.0
   44    46    48    49   0.15250 -1.0 2.0
   44    46    48    49  -0.50650  1.0 3.0
   44    46    48    51   0.09850  1.0 1.0
   44    46    48    51   0.15250 -1.0 2.0
   44    46    48    51  -0.50650  1.0 3.0
   45    44    46    47   7.00000 -1.0 2.0
   45    44    46    48   7.00000 -1.0 2.0
   46    48    49    50   0.15000  1.0 3.0
   46    48    49    55   0.34400  1.0 1.0
   46    48    49    55   0.09450 -1.0 2.0
   46    48    49    55   0.11100  1.0 3.0
   46    48    49    71   0.34400  1.0 1.0
   46    48    49    71   0.09450 -1.0 2.0
   46    48    49    71   0.11100  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48    51    54   0.15000  1.0 3.0
   47    46    48    33   0.00000  1.0 1.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42   0.09850  1.0 1.0
   48    33   -37    42   0.15250 -1.0 2.0
   48    33   -37    42  -0.50650  1.0 3.0
   48    33    39    76   0.56750  1.0 1.0
   48    33    39    76  -0.07550 -1.0 2.0
   48    33    39    76   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    49    55    56   0.15000  1.0 3.0
   48    49    55    57   0.15000  1.0 3.0
   48    49    55    58   0.56750  1.0 1.0
   48    49    55    58  -0.07550 -1.0 2.0
   48    49    55    58   0.20000  1.0 3.0
   48    49    71    62   0.56750  1.0 1.0
   48    49    71    62  -0.07550 -1.0 2.0
   48    49    71    62   0.20000  1.0 3.0
   48    49    71    72   0.15000  1.0 3.0
   48    49   -71    76   0.56750  1.0 1.0
   48    49   -71    76  -0.07550 -1.0 2.0
   48    49   -71    76   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    54   0.15000  1.0 3.0
   49    55    58    59   0.15000  1.0 3.0
   49    55    58    60   0.15000  1.0 3.0
   49    55    58    61   0.56750  1.0 1.0
   49    55    58    61  -0.07550 -1.0 2.0
   49    55    58    61   0.20000  1.0 3.0
   49    71    76    77   0.15000  1.0 3.0
   49    71    76    78   0.15000  1.0 3.0
   49    71    76    39   0.56750  1.0 1.0
   49    71    76    39  -0.07550 -1.0 2.0
   49    71    76    39   0.20000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   50    49    71    62   0.15000  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   50    49    71    76   0.15000  1.0 3.0
   55    49    71    62   0.56750  1.0 1.0
   55    49    71    62  -0.07550 -1.0 2.0
   55    49    71    62   0.20000  1.0 3.0
   55    49    71    72   0.15000  1.0 3.0
   55    49    71    76   0.56750  1.0 1.0
   55    49    71    76  -0.07550 -1.0 2.0
   55    49    71    76   0.20000  1.0 3.0
   55    58   -61    62   0.56750  1.0 1.0
   55    58   -61    62  -0.07550 -1.0 2.0
   55    58   -61    62   0.20000  1.0 3.0
   55    58    61    81   0.62750  1.0 1.0
   55    58    61    81  -0.30950 -1.0 2.0
   55    58    61    81   0.27300  1.0 3.0
   55    58    61    64   0.56750  1.0 1.0
   55    58    61    64  -0.07550 -1.0 2.0
   55    58    61    64   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    68   0.56750  1.0 1.0
   58    61    62    68  -0.07550 -1.0 2.0
   58    61    62    68   0.20000  1.0 3.0
   58    61    62    71   0.56750  1.0 1.0
   58    61    62    71  -0.07550 -1.0 2.0
   58    61    62    71   0.20000  1.0 3.0
   58    61    81    79  -0.25900  1.0 1.0
   58    61    81    79  -0.47000 -1.0 2.0
   58    61    81    79   0.11750  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    81   0.23400  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    81   0.23400  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    62    68    69   0.15000  1.0 3.0
   61    62    68    70   0.15000  1.0 3.0
   61    62    68    73   0.56750  1.0 1.0
   61    62    68    73  -0.07550 -1.0 2.0
   61    62    68    73   0.20000  1.0 3.0
   61    62   -71    49   0.56750  1.0 1.0
   61    62   -71    49  -0.07550 -1.0 2.0
   61    62   -71    49   0.20000  1.0 3.0
   61    62    71    72   0.15000  1.0 3.0
   61    62    71    76   0.56750  1.0 1.0
   61    62    71    76  -0.07550 -1.0 2.0
   61    62    71    76   0.20000  1.0 3.0
   62    61    81    79  -0.25900  1.0 1.0
   62    61    81    79  -0.47000 -1.0 2.0
   62    61    81    79   0.11750  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    75   0.15000  1.0 3.0
   62    68   -73    79  -0.95700  1.0 1.0
   62    68   -73    79  -0.18200 -1.0 2.0
   62    68   -73    79   0.29450  1.0 3.0
   62    71    76    77   0.15000  1.0 3.0
   62    71    76    78   0.15000  1.0 3.0
   62    71    76    39   0.56750  1.0 1.0
   62    71    76    39  -0.07550 -1.0 2.0
   62    71    76    39   0.20000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   63    62    71    49   0.15000  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    76   0.15000  1.0 3.0
   68    62    71    49   0.56750  1.0 1.0
   68    62    71    49  -0.07550 -1.0 2.0
   68    62    71    49   0.20000  1.0 3.0
   68    62    71    72   0.15000  1.0 3.0
   68    62    71    76   0.56750  1.0 1.0
   68    62    71    76  -0.07550 -1.0 2.0
   68    62    71    76   0.20000  1.0 3.0
   68    73    79    80   0.30150 -1.0 2.0
   68    73    79    81   0.36750  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    79  -0.11250  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    79  -0.11250  1.0 3.0
   73    79   -81    61   1.63150  1.0 1.0
   73    79   -81    61   2.92000 -1.0 2.0
   74    73    79    80   0.00000  1.0 1.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.00000  1.0 1.0
   75    73    79    81   0.00000  1.0 1.0
   80    79    81    61   3.00000 -1.0 2.0
   81    61    62    63   0.23400  1.0 3.0
   81    61   -62    68   0.62750  1.0 1.0
   81    61   -62    68  -0.30950 -1.0 2.0
   81    61   -62    68   0.27300  1.0 3.0
   81    61    62    71   0.62750  1.0 1.0
   81    61    62    71  -0.30950 -1.0 2.0
   81    61    62    71   0.27300  1.0 3.0
   81    61    64    65   0.23400  1.0 3.0
   81    61    64    66   0.23400  1.0 3.0
   81    61    64    67   0.23400  1.0 3.0
   71    49    55    56   0.15000  1.0 3.0
   71    49    55    57   0.15000  1.0 3.0
   71    49   -55    58   0.56750  1.0 1.0
   71    49   -55    58  -0.07550 -1.0 2.0
   71    49   -55    58   0.20000  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    73   0.56750  1.0 1.0
   71    62    68    73  -0.07550 -1.0 2.0
   71    62    68    73   0.20000  1.0 3.0
   71    76   -39    33   0.56750  1.0 1.0
   71    76   -39    33  -0.07550 -1.0 2.0
   71    76   -39    33   0.20000  1.0 3.0
   71    76    39    40   0.15000  1.0 3.0
   71    76    39    41   0.15000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    39   0.15000  1.0 3.0
   77    76    39    33   0.15000  1.0 3.0
   77    76    39    40   0.15000  1.0 3.0
   77    76    39    41   0.15000  1.0 3.0
   78    76    39    33   0.15000  1.0 3.0
   78    76    39    40   0.15000  1.0 3.0
   78    76    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.34400  1.0 1.0
   39    33    48    46   0.09450 -1.0 2.0
   39    33    48    46   0.11100  1.0 3.0
   39    33   -48    49   0.56750  1.0 1.0
   39    33   -48    49  -0.07550 -1.0 2.0
   39    33   -48    49   0.20000  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
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61    62    71   0.56750  1.0 1.0
   64    61    62    71  -0.07550 -1.0 2.0
   64    61    62    71   0.20000  1.0 3.0
   64    61    81    79  -0.25900  1.0 1.0
   64    61    81    79  -0.47000 -1.0 2.0
   64    61    81    79   0.11750  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    71   0.56750  1.0 1.0
   51    48    49    71  -0.07550 -1.0 2.0
   51    48    49    71   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   73    81    79    80  10.50000 -1.0 2.0
END
