* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    156    247     459
    1     0 S   NP   _N1_     1    28.66419    96.23308   -22.20132
    2     1 S   H    _HN1     2     1.02952    75.83468    16.06735
    3     1 S   H    _H1_     3     1.02830    39.63613   157.25613
    4     1 S   H    _H2_     4     1.02784    95.71538   -91.45937
    5     1 S   CT   _CA1     5     1.50106   146.39637   121.72838
    6     5 S   HC   _HA1     6     1.09572   105.21367    82.56856
    7     5 S   CO3  _C1_     7     1.53805   112.46635   -37.68453
    8     7 S   O2Z  _O11     8     1.26369   115.00834   -42.46549
    9     7 S   O2Z  _O12     9     1.26243   114.95630   136.71963
   10     5 S   CT   _CB1    10     1.53089   107.43126  -159.43428
   11    10 S   HC   HB11    11     1.09828   109.41242   -49.83887
   12    10 S   HC   HB12    12     1.09814   110.42760    66.78786
   13    10 S   CT   _CG1    13     1.52964   112.57118  -170.83985
   14    13 S   HC   HG11    14     1.09587   110.55217   -64.47571
   15    13 S   HC   HG12    15     1.09667   109.85305    54.72465
   16    13 S   C    _CD1    16     1.51792   112.34729   175.19181
   17    16 S   O    _OE1    17     1.22713   123.33106     3.46871
   18    16 S   N    _N2_    18     1.38596   111.52430  -176.55264
   19    18 S   H    _HN2    19     1.01575   118.98326     1.99694
   20    18 S   CT1  _CA2    20     1.46247   123.60657   178.99634
   21    20 S   HC   _HA2    21     1.09735   109.38174     1.53353
   22    20 S   C    _C2_    22     1.53571   108.70472  -113.94740
   23    22 S   O    _O2_    23     1.23052   122.35465  -149.85160
   24    20 S   CT   _CB2    32     1.53428   111.18744   123.59213
   25    24 S   HC   HB21    33     1.09413   109.36543    55.80363
   26    24 S   HC   HB22    34     1.09457   109.98254   174.35167
   27    22 S   N    _N3_    24     1.38360   113.72224    37.74612
   28    27 S   H    _HN3    25     1.01582   119.52946    -3.48880
   29    24 S   S    _SG2    35     1.83040   110.91213   -66.87446
   30    27 S   CT   _CA3    26     1.45273   123.19022   177.06782
   31    30 S   HC   HA31    27     1.09550   107.52029   -64.39943
   32    30 S   HC   HA32    28     1.09558   107.97359    52.03216
   33    29 S   CT   _C16    36     1.88099   102.09600   147.00006
   34    30 S   CO3  _C3_    29     1.52946   114.09930   174.03234
   35    34 S   O2Z  _O31    30     1.26374   116.07586    -0.34492
   36    34 S   O2Z  _O32    31     1.26431   114.40821   179.71061
   37    33 S   CT   _C15    37     1.54509   105.99695  -164.09406
   38    37 S   HC   _H8_    38     1.09684   110.29232   166.30327
   39    37 S   HC   _H9_    39     1.09775   111.80440    49.68162
   40    33 S   CT   _C17    74     1.59317   116.18299    76.62955
   41    40 S   OM   _O38    75     1.32899   110.27655   -55.84424
   42    40 S   HC   _H3_    76     1.10245   103.45623   179.87333
   43    33 S   OS   _O39    81     1.45286   111.74932   -44.87932
   44    37 S   CO4  _C14    40     1.51505   112.79274   -72.65580
   45    44 S   O    _O35    41     1.23319   120.64850   123.60880
   46    43 S   CT   _C20    82     1.42007   117.61500   -68.74871
   47    46 S   HC   _H11    83     1.09377   107.83663   168.96529
   48    46 S   HC   _H12    84     1.09219   112.25061    50.04933
   49    46 S   HC   _H13    85     1.09333   110.65625   -73.60904
   50    44 S   CT   _C13    42     1.54621   116.82164   -58.55770
   51    50 S   CMA  _C12    43     1.56025   113.23870   -70.89411
   52    51 S   OM   _O34    44     1.26651   111.51711   -34.57602
   53    50 S   OH   _O40    79     1.43724   106.71260   171.81319
   54    53 S   HO   _H14    80     0.97364   106.40462    66.95390
   55    51 S   CM   _C10    45     1.36194   118.13116   147.20539
   56    55 S   CM   _C9_    46     1.45002   122.45799     5.75772
   57    55 S   CO4  _C11    56     1.51425   120.25121  -175.54183
   58    57 S   O    _O33    57     1.22541   122.18955    22.76461
   59    56 S   CM   _C8_    47     1.33911   122.59780   170.34162
   60    59 S   HC   _H7_    48     1.08625   121.52266   179.65679
   61    56 S   CO4  _C19    71     1.49178   119.98358    -8.76450
   62    61 S   O    _O36    72     1.23076   121.46243   159.99151
   63    59 S   CA   _C7_    49     1.46444   121.01301    -2.88948
   64    50 S   CT   _C18    73     1.55758   105.91619    55.95282
   65    63 S   CA   _C21    50     1.40091   118.23378  -174.56610
   66    65 S   HA   _H15    51     1.08789   120.16294    -1.20106
   67    64 S   OH   _O37    77     1.43298   108.78037    69.79007
   68    67 S   HO   _H10    78     0.97428   105.94994  -171.04915
   69    65 S   CA   _C22    52     1.38968   120.08836   179.19109
   70    69 S   CA   _C23    53     1.39730   120.17098    -1.36587
   71    69 S   OH   _O43    69     1.36825   119.97753   178.46367
   72    71 S   HO   _H19    70     0.97242   109.00334     0.07133
   73    70 S   CA   _C5_    54     1.41248   121.26701     0.61357
   74    70 S   CO4  _C24    62     1.47155   118.05184   178.90568
   75    74 S   O    _O41    63     1.21855   123.72961  -106.23963
   76    63 S   CA   _C6_    55     1.41013   121.62795     4.86389
   77    73 S   CT   _C4_    58     1.50866   120.03425  -178.42878
   78    77 S   HC   _H4_    59     1.09426   110.23358  -102.83541
   79    77 S   HC   _H5_    60     1.09391   112.73223    17.79063
   80    77 S   HC   _H6_    61     1.09495   110.68776   135.05594
   81    74 S   OS   _O42    64     1.35599   107.72931    75.27946
   82    81 S   CT   _C25    65     1.42986   114.83144   179.26858
   83    82 S   HC   _H16    66     1.09327   108.12966   179.44609
   84    82 S   HC   _H17    67     1.09431   110.32295    60.72249
   85    82 S   HC   _H18    68     1.09429   110.26790   -61.84707
  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  11   5   4   3
  17   2   1   1  13   6   5  14   6   5   6  10   4   3   2   1
   1  12  12   5   5   1  11  11   9   3  10   4   5   2   8   2
   8   4   1   1   9  12   3   1   8   8   2   4   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    64    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    61    64    40    41    42    67    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    64    40    41    42    53    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    67    68    53    43    46    44    50    51    56    61    62    64  
   42    67    43    50    61    64  
   67    43    50    61    64  
   46    47    48    49    44    64  
   45    50    51    52    55    61    64    67    53    54  
   50    51    64    53  
   47    48    49  
   48    49  
   49  
    0  
   51    52    55    56    57    61    62    64    67    68    53    54  
   52    55    56    59    76    57    58    61    64    67    53    54  
   55    56    57    64    53  
   54    55    61    64    67  
   64  
   56    59    60    63    73    76    57    58    61    62    64  
   59    60    63    65    76    57    58    61    62    64    67  
   58    77    61    59    63    65    70    73    76  
   63    73    76  
   60    63    65    66    69    73    76    61    62    64  
   63    65    76    61  
   62    64    67    68    63  
   64    67  
   65    66    69    70    73    76    77    71  
   67    68  
   66    69    70    73    76    74    71    72  
   69    70    76    71  
   68  
    0  
   70    73    76    77    74    75    81    71    72  
   73    76    77    78    79    80    74    75    81    82    71    72  
   72    73    74  
    0  
   76    77    78    79    80    74    75    81  
   75    81    82    83    84    85    76    77  
   81    82  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85  
   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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   270.000  1.512
   50    64   268.000  1.529
   50    53   320.000  1.410
   51    52   745.000  1.250
   51    55   465.000  1.376
   55    56   380.000  1.444
   55    57   320.000  1.462
   56    59   549.000  1.340
   56    61   320.000  1.462
   59    60   340.000  1.080
   59    63   320.000  1.460
   63    65   469.000  1.400
   63    76   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    73   469.000  1.400
   70    74   310.000  1.470
   73    76   469.000  1.400
   73    77   317.000  1.510
   76    57   310.000  1.470
   57    58   570.000  1.229
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   74    75   570.000  1.229
   74    81   214.000  1.327
   81    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    40   268.000  1.529
   64    67   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   67    68   553.000  0.945
   53    54   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    64    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    70.00000  109.06800
   44    50    64    63.00000  111.10000
   44    50    53    90.00000  109.61100
   50    44    45    80.00000  120.40000
   50    51    52    85.00000  112.85300
   50    51    55    65.00000  122.18000
   50    64    61    63.00000  111.10000
   50    64    40    58.35000  112.70000
   50    64    67    50.00000  109.50000
   50    53    54    55.00000  108.50000
   51    55    56    70.00000  117.34000
   51    55    57    60.00000  125.92000
   55    51    52    65.00000  137.10300
   55    56    59    70.00000  123.01800
   55    56    61    65.00000  118.96000
   55    57    76    65.00000  117.02400
   55    57    58    80.00000  123.72100
   56    59    60    35.00000  120.00000
   56    59    63    60.00000  123.20500
   56    61    62    80.00000  123.72100
   56    61    64    65.00000  118.62400
   59    63    65    60.00000  120.93500
   59    63    76    60.00000  120.93500
   63    59    60    40.00000  117.26300
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    76    73    63.00000  120.00000
   63    76    57    60.00000  119.52600
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    70    74    60.00000  119.52600
   69    71    72    35.00000  113.00000
   70    73    76    63.00000  120.00000
   70    73    77    70.00000  120.00000
   70    74    75    75.00000  123.78400
   70    74    81    81.00000  111.40000
   73    76    57    60.00000  119.52600
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    63    65    63.00000  120.00000
   76    57    58    75.00000  123.78400
   57    55    56    65.00000  118.96000
   77    73    76    70.00000  120.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   74    70    73    60.00000  119.52600
   74    81    82    83.00000  116.90000
   81    74    75    83.00000  123.40000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    69    70    70.00000  120.00000
   61    56    59    65.00000  118.96000
   61    64    40    63.00000  111.10000
   61    64    67    90.00000  109.61100
   64    50    51    70.00000  112.02700
   64    61    62    80.00000  120.40000
   64    40    41    50.00000  109.50000
   64    40    42    37.50000  110.70000
   64    67    68    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   67    64    40    50.00000  109.50000
   53    50    51    90.00000  110.39200
   53    50    64    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    64   0.44750  1.0 1.0
   29    33    40    64  -0.17800 -1.0 2.0
   29    33    40    64   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    64   0.56750  1.0 1.0
   37    33    40    64  -0.07550 -1.0 2.0
   37    33    40    64   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.65300  1.0 1.0
   37    44    50    51  -0.03850 -1.0 2.0
   37    44    50    51   0.33900  1.0 3.0
   37    44   -50    64   0.60050  1.0 1.0
   37    44   -50    64   0.05600 -1.0 2.0
   37    44   -50    64   0.26150  1.0 3.0
   37    44    50    53   0.55300  1.0 1.0
   37    44    50    53   1.25850 -1.0 2.0
   37    44    50    53  -0.23600  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    51    52   0.09700  1.0 1.0
   44    50    51    52   0.15600 -1.0 2.0
   44    50    51    52  -0.50800  1.0 3.0
   44    50    51    55  -0.51250  1.0 1.0
   44    50    51    55  -0.88800 -1.0 2.0
   44    50    51    55   0.08850  1.0 3.0
   44    50    64    61   0.11950  1.0 1.0
   44    50    64    61   0.20300 -1.0 2.0
   44    50    64    61  -0.70800  1.0 3.0
   44    50    64    40  -0.95700  1.0 1.0
   44    50    64    40  -0.18200 -1.0 2.0
   44    50    64    40   0.29450  1.0 3.0
   44    50    64    67  -0.09450  1.0 1.0
   44    50    64    67  -1.12950 -1.0 2.0
   44    50    64    67   0.54000  1.0 3.0
   44    50    53    54   0.91850  1.0 1.0
   44    50    53    54   0.57950  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    64   0.30150 -1.0 2.0
   45    44    50    53   0.30150 -1.0 2.0
   50    51    55    56   7.00000 -1.0 2.0
   50    51    55    57   7.00000 -1.0 2.0
   50    64   -40    33   0.56750  1.0 1.0
   50    64   -40    33  -0.07550 -1.0 2.0
   50    64   -40    33   0.20000  1.0 3.0
   50    64    40    41   0.62750  1.0 1.0
   50    64    40    41  -0.30950 -1.0 2.0
   50    64    40    41   0.27300  1.0 3.0
   50    64    40    42   0.15000  1.0 3.0
   50    64    67    68  -0.11600  1.0 1.0
   50    64    67    68  -0.09450 -1.0 2.0
   50    64    67    68   0.21250  1.0 3.0
   51    50    64    61  -0.98800  1.0 1.0
   51    50    64    61   0.48800 -1.0 2.0
   51    50    64    61   0.76800  1.0 3.0
   51    50    64    40   0.34400  1.0 1.0
   51    50    64    40   0.09450 -1.0 2.0
   51    50    64    40   0.11100  1.0 3.0
   51    50    64    67   1.05650  1.0 1.0
   51    50    64    67   0.15600 -1.0 2.0
   51    50    64    67   0.53150  1.0 3.0
   51    50    53    54  -0.07800  1.0 1.0
   51    50    53    54  -0.21500 -1.0 2.0
   51    50    53    54  -0.03150  1.0 3.0
   51    55    56    59   0.28850  1.0 1.0
   51    55    56    59   2.61350 -1.0 2.0
   51    55    56    59   0.78400  1.0 3.0
   51    55   -56    61  -0.18600  1.0 3.0
   51    55    57    76  -1.65800  1.0 1.0
   51    55    57    76   0.77650 -1.0 2.0
   51    55    57    58   1.00000 -1.0 2.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
   55    56    59    60   7.00000 -1.0 2.0
   55    56    59    63   7.00000 -1.0 2.0
   55    56    61    62   1.00000 -1.0 2.0
   55    56    61    64  -0.33500  1.0 1.0
   55    56    61    64   1.06600 -1.0 2.0
   55    56    61    64  -0.14000  1.0 3.0
   56    55    57    76  -1.65800  1.0 1.0
   56    55    57    76   0.77650 -1.0 2.0
   56    55    57    58   1.00000 -1.0 2.0
   56    59    63    65   0.15800  1.0 1.0
   56    59    63    65   1.85350 -1.0 2.0
   56    59    63    65  -0.48700  1.0 3.0
   56    59   -63    76   0.15800  1.0 1.0
   56    59   -63    76   1.85350 -1.0 2.0
   56    59   -63    76  -0.48700  1.0 3.0
   56    61   -64    50   0.65300  1.0 1.0
   56    61   -64    50  -0.03850 -1.0 2.0
   56    61   -64    50   0.33900  1.0 3.0
   56    61    64    40   0.65300  1.0 1.0
   56    61    64    40  -0.03850 -1.0 2.0
   56    61    64    40   0.33900  1.0 3.0
   56    61    64    67   0.65300  1.0 1.0
   56    61    64    67  -0.03850 -1.0 2.0
   56    61    64    67   0.33900  1.0 3.0
   59    56    61    62   1.00000 -1.0 2.0
   59    56    61    64  -0.33500  1.0 1.0
   59    56    61    64   1.06600 -1.0 2.0
   59    56    61    64  -0.14000  1.0 3.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63    65    69   3.62500 -1.0 2.0
   59    63    76    73   3.62500 -1.0 2.0
   59    63    76    57   3.62500 -1.0 2.0
   60    59    63    65   0.56550  1.0 3.0
   60    59    63    76   0.56550  1.0 3.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    71   3.62500 -1.0 2.0
   63    76   -57    55  -0.11500  1.0 1.0
   63    76   -57    55   1.10450 -1.0 2.0
   63    76   -57    55  -0.48050  1.0 3.0
   63    76    57    58   1.05000 -1.0 2.0
   65    63    76    73   3.62500 -1.0 2.0
   65    63    76    57   3.62500 -1.0 2.0
   65    69   -70    73   3.62500 -1.0 2.0
   65    69    70    74   3.62500 -1.0 2.0
   65    69    71    72   0.84100 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    73    76   3.62500 -1.0 2.0
   69    70    73    77   3.62500 -1.0 2.0
   69    70    74    75   1.05000 -1.0 2.0
   69    70    74    81   0.98750 -1.0 2.0
   70    69    71    72   0.84100 -1.0 2.0
   70    73   -76    63   3.62500 -1.0 2.0
   70    73    76    57   3.62500 -1.0 2.0
   70    73    77    78   0.00000  1.0 1.0
   70    73    77    79   0.00000  1.0 1.0
   70    73    77    80   0.00000  1.0 1.0
   70    74    81    82   0.59950  1.0 1.0
   70    74    81    82   3.24850 -1.0 2.0
   73    70    74    75   1.05000 -1.0 2.0
   73    70    74    81   0.98750 -1.0 2.0
   73    76    57    55  -0.11500  1.0 1.0
   73    76    57    55   1.10450 -1.0 2.0
   73    76    57    55  -0.48050  1.0 3.0
   73    76    57    58   1.05000 -1.0 2.0
   76    63    65    66   3.62500 -1.0 2.0
   76    63   -65    69   3.62500 -1.0 2.0
   76    73    77    78   0.00000  1.0 1.0
   76    73    77    79   0.00000  1.0 1.0
   76    73    77    80   0.00000  1.0 1.0
   57    55   -56    59  -0.18600  1.0 3.0
   57    55    56    61   1.08500 -1.0 2.0
   77    73    76    63   3.62500 -1.0 2.0
   77    73    76    57   3.62500 -1.0 2.0
   74    70    73    76   3.62500 -1.0 2.0
   74    70    73    77   3.62500 -1.0 2.0
   74    81    82    83   0.08050  1.0 3.0
   74    81    82    84   0.08050  1.0 3.0
   74    81    82    85   0.08050  1.0 3.0
   75    74    81    82   3.00000 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   71    69    70    74   3.62500 -1.0 2.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    63   7.00000 -1.0 2.0
   61    64    40    33  -0.95700  1.0 1.0
   61    64    40    33  -0.18200 -1.0 2.0
   61    64    40    33   0.29450  1.0 3.0
   61    64    40    41  -0.09450  1.0 1.0
   61    64    40    41  -1.12950 -1.0 2.0
   61    64    40    41   0.54000  1.0 3.0
   61    64    40    42  -0.11250  1.0 3.0
   61    64    67    68   0.91850  1.0 1.0
   61    64    67    68   0.57950  1.0 3.0
   62    61    64    50   0.30150 -1.0 2.0
   62    61    64    40   0.30150 -1.0 2.0
   62    61    64    67   0.30150 -1.0 2.0
   64    50    51    52   0.09700  1.0 1.0
   64    50    51    52   0.15600 -1.0 2.0
   64    50    51    52  -0.50800  1.0 3.0
   64    50   -51    55   0.09850  1.0 1.0
   64    50   -51    55   0.15250 -1.0 2.0
   64    50   -51    55  -0.50650  1.0 3.0
   64    50    53    54  -0.11600  1.0 1.0
   64    50    53    54  -0.09450 -1.0 2.0
   64    50    53    54   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    64    67    68  -0.11600  1.0 1.0
   40    64    67    68  -0.09450 -1.0 2.0
   40    64    67    68   0.21250  1.0 3.0
   67    64    40    33   0.86500  1.0 1.0
   67    64    40    33  -0.17500 -1.0 2.0
   67    64    40    33   0.20800  1.0 3.0
   67    64    40    41   3.69350  1.0 1.0
   67    64    40    41  -1.82950 -1.0 2.0
   67    64    40    42   0.23400  1.0 3.0
   53    50    51    52   0.09700  1.0 1.0
   53    50    51    52   0.15600 -1.0 2.0
   53    50    51    52  -0.50800  1.0 3.0
   53    50    51    55   0.67800  1.0 1.0
   53    50    51    55   0.47050 -1.0 2.0
   53    50    51    55  -0.62500  1.0 3.0
   53    50    64    61  -0.09450  1.0 1.0
   53    50    64    61  -1.12950 -1.0 2.0
   53    50    64    61   0.54000  1.0 3.0
   53    50    64    40   0.86500  1.0 1.0
   53    50    64    40  -0.17500 -1.0 2.0
   53    50    64    40   0.20800  1.0 3.0
   53    50    64    67   3.75450  1.0 1.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    64   0.62750  1.0 1.0
   43    33    40    64  -0.30950 -1.0 2.0
   43    33    40    64   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   0.23400  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
   37    50    44    45  10.50000 -1.0 2.0
   50    52    51    55   1.10000 -1.0 2.0
   56    57    55    51   1.10000 -1.0 2.0
   55    61    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   65    76    63    59   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   73    74    70    69   4.00000 -1.0 2.0
   76    77    73    70   4.00000 -1.0 2.0
   73    57    76    63   4.00000 -1.0 2.0
   55    76    57    58  10.50000 -1.0 2.0
   70    81    74    75  10.50000 -1.0 2.0
   56    64    61    62  10.50000 -1.0 2.0
END
