* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    153    238     456
    1     0 S   NP   _N1_     1    28.47205    96.72095   -24.26230
    2     1 S   H    _HN1     2     1.02777   112.25839  -102.79556
    3     1 S   H    _H1_     3     1.02957    71.81111     0.10279
    4     1 S   H    _H2_     4     1.02836    36.11336   167.08897
    5     1 S   CT   _CA1     5     1.50138   131.63058   101.56836
    6     5 S   HC   _HA1     6     1.09576   105.20271    94.22292
    7     5 S   CO3  _C1_     7     1.53769   112.31722   -25.93971
    8     7 S   O2Z  _O11     8     1.26365   114.99637   -44.74690
    9     7 S   O2Z  _O12     9     1.26228   114.91789   134.25199
   10     5 S   CT   _CB1    10     1.53084   107.41047  -147.90644
   11    10 S   HC   HB11    11     1.09830   109.28688   -50.54521
   12    10 S   HC   HB12    12     1.09815   110.44835    65.98518
   13    10 S   CT   _CG1    13     1.53039   112.71106  -171.60897
   14    13 S   HC   HG11    14     1.09591   110.52532   -65.13170
   15    13 S   HC   HG12    15     1.09657   109.90113    54.09610
   16    13 S   C    _CD1    16     1.51845   112.22154   174.42898
   17    16 S   O    _OE1    17     1.22769   123.26979     2.02081
   18    16 S   N    _N2_    18     1.38577   111.83103  -177.98462
   19    18 S   H    _HN2    19     1.01578   119.07301     4.07011
   20    18 S   CT1  _CA2    20     1.45719   122.69883   177.40822
   21    20 S   HC   _HA2    21     1.09662   108.74474    24.27454
   22    20 S   C    _C2_    22     1.52915   107.38654   -92.43170
   23    22 S   O    _O2_    23     1.22939   123.12004   -27.77519
   24    20 S   CT   _CB2    32     1.53068   112.32592   147.44911
   25    24 S   HC   HB21    33     1.09604   110.41946    51.26875
   26    24 S   HC   HB22    34     1.09449   110.17940   170.04442
   27    22 S   N    _N3_    24     1.38565   112.37633   154.92723
   28    27 S   H    _HN3    25     1.01578   120.31992    -2.43799
   29    24 S   S    _SG2    35     1.82596   111.35378   -69.41700
   30    27 S   CT   _CA3    26     1.45342   122.62034   178.57070
   31    30 S   HC   HA31    27     1.09562   107.75087   -56.68966
   32    30 S   HC   HA32    28     1.09555   107.67950    59.67376
   33    29 S   CT   _C11    36     1.83223    98.65180  -174.73843
   34    33 S   HC   _H3_    37     1.09444   105.10453   -45.37768
   35    30 S   CO3  _C3_    29     1.52909   114.23728  -178.61351
   36    35 S   O2Z  _O31    30     1.26386   116.05710    -2.55489
   37    35 S   O2Z  _O32    31     1.26395   114.48476   177.42420
   38    33 S   CM   _C4_    38     1.52655   110.34239  -162.90658
   39    33 S   OS   _O19    54     1.43322   113.46337    67.32236
   40    38 S   CMA  _C5_    39     1.37033   122.81386    93.73616
   41    40 S   OM   _O17    40     1.26753   124.76185     2.73409
   42    40 S   OS   _O18    41     1.41070   116.89191  -177.16710
   43    42 S   CT   _C9_    42     1.42596   116.88359    25.32494
   44    43 S   HC   _H32    43     1.09477   107.59876  -179.17599
   45    43 S   HC   _H33    44     1.09701   109.98998    63.97221
   46    43 S   CT   _C8_    45     1.50885   108.95311   -59.81253
   47    46 S   HC   _H30    46     1.09553   110.94587  -176.25676
   48    46 S   HC   _H31    47     1.09556   108.50795   -58.37518
   49    38 S   CT   _C10    48     1.51803   113.61370   -87.09261
   50    49 S   HC   _H34    49     1.10038   106.12681    68.25120
   51    49 S   CT   _C12    50     1.54533   111.06610   -48.42802
   52    51 S   HC   _H36    51     1.09978   107.02136   170.92996
   53    51 S   CO   _C17    52     1.54020   109.66746    54.15848
   54    53 S   HC   _H41    53     1.09699   108.05999  -171.40225
   55    51 S   CM   _C7_    78     1.51629   113.84824   -69.08604
   56    55 S   HC   _H29    79     1.08782   117.74801    58.62123
   57    53 S   OS1  _O25    55     1.43346   108.09175    72.41747
   58    55 S   CM   _C6_    80     1.33851   123.91231  -121.69154
   59    58 S   HC   _H27    81     1.08470   120.42337  -179.90109
   60    58 S   HC   _H28    82     1.08438   121.63065     0.20174
   61    57 S   CO1  _C18    56     1.43191   113.68382   166.99158
   62    61 S   HC   _H42    57     1.09558   108.41722    58.21242
   63    61 S   CT   _C15    58     1.53428   107.51673   177.62603
   64    63 S   HC   _H39    59     1.09689   109.85053    56.82291
   65    63 S   CT   _C13    60     1.53092   110.73560   178.20670
   66    65 S   HC   _H37    61     1.09601   110.13082    73.30697
   67    63 S   OH5  _O23    76     1.42720   110.80896   -60.15466
   68    67 S   HO   _H47    77     0.97140   108.28870   -52.88582
   69    65 S   CT   _C14    62     1.53284   111.32957   -49.64919
   70    69 S   HC   _H38    63     1.09713   108.84108   -72.76375
   71    65 S   OH5  _O21    74     1.43024   109.54768  -170.94763
   72    71 S   HO   _H45    75     0.97216   108.11239    60.99456
   73    69 S   CT   _C16    64     1.53345   111.18170    48.36837
   74    73 S   HC   _H40    65     1.09776   111.14425    65.70111
   75    69 S   OH5  _O22    72     1.42574   109.68202   170.66399
   76    75 S   HO   _H46    73     0.97728   107.98784   -61.57895
   77    61 S   OS1  _O20    66     1.42985   111.81012   -63.01076
   78    73 S   CT   _C19    67     1.52956   111.42416  -173.61138
   79    78 S   HC   _H43    68     1.09498   111.00277    68.67114
   80    78 S   HC   _H44    69     1.09407   111.46347   -53.66356
   81    78 S   OH5  _O24    70     1.42510   109.14622  -172.69325
   82    81 S   HO   _H48    71     0.97232   106.98407   180.00000
  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
  13   5   2   1   1  14   9   9   3   7   8   5   4   8   4   3
   9   4  10   6   9   3   5   3   8   2   1   1  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    49    53    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    46    49    50    51    53    54    39    57  
   38    40    49    53    39  
   36    37  
   37  
    0  
   40    41    42    43    46    47    48    49    50    51    52    53    39    55  
   57    61    55    40    49    51    52    53    54  
   41    42    43    44    45    46    49    50    51  
   42    43    49  
   43    44    45    46    47    48    49  
   44    45    46    47    48    49    50    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53    55  
   48    49    50    51  
   49    50    51  
   50    51    52    53    54    57    55    56    58  
   51    52    53    55  
   52    53    54    57    61    55    56    58    59    60  
   53    54    57    55    56    58  
   54    57    61    62    63    77    55    56    58  
   57    61    55  
   56    58    59    60    57  
   58    59    60  
   61    62    63    64    65    73    77    67  
   59    60  
   60  
    0  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    49   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   51    52   340.000  1.090
   51    53   250.000  1.527
   51    55   317.000  1.510
   53    54   340.000  1.090
   53    39   320.000  1.380
   53    57   320.000  1.380
   57    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   55    56   340.000  1.080
   55    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    49    65.00000  117.92700
   33    39    53    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   38    49    46    70.00000  112.02700
   38    49    50    35.00000  109.50000
   38    49    51    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    38    40    70.00000  124.00000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    75.00000  109.43000
   49    51    55    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    53    54    45.00000  112.01100
   51    53    39    90.00000  108.56700
   51    53    57    90.00000  108.56700
   51    55    56    35.00000  117.00000
   51    55    58    70.00000  124.00000
   53    51    52    45.00000  108.72000
   53    57    61    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    53    54    35.00000  109.50000
   57    53    54    35.00000  109.50000
   57    53    39    92.60000  111.55000
   57    61    62    60.00000  105.75400
   57    61    63    90.00000  109.70700
   57    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   55    51    52    35.00000  109.50000
   55    51    53    70.00000  112.02700
   55    58    59    35.00000  120.00000
   55    58    60    35.00000  120.00000
   58    55    56    35.00000  120.00000
   60    58    59    35.00000  117.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    49   0.30250  1.0 1.0
   29    33    38    49  -0.14950 -1.0 2.0
   29    33    38    49   0.36900  1.0 3.0
   29    33    39    53   0.14700  1.0 1.0
   29    33    39    53  -1.16150 -1.0 2.0
   29    33    39    53   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    38    49    46   0.46850  1.0 1.0
   33    38    49    46   0.08550 -1.0 2.0
   33    38    49    46   0.09800  1.0 3.0
   33    38    49    50   0.34800  1.0 3.0
   33    38    49    51   0.46850  1.0 1.0
   33    38    49    51   0.08550 -1.0 2.0
   33    38    49    51   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    49   0.34800  1.0 3.0
   34    33    39    53   0.37050  1.0 3.0
   38    33    39    53  -0.77900  1.0 1.0
   38    33    39    53  -0.36900 -1.0 2.0
   38    33    39    53   0.40400  1.0 3.0
   38    40    42    43  -2.26850  1.0 1.0
   38    40    42    43   3.39050 -1.0 2.0
   38    49    51    52   0.15000  1.0 3.0
   38    49   -51    53   0.34400  1.0 1.0
   38    49   -51    53   0.09450 -1.0 2.0
   38    49   -51    53   0.11100  1.0 3.0
   38    49    51    55   0.31000  1.0 1.0
   38    49    51    55   0.14700 -1.0 2.0
   38    49    51    55   0.07550  1.0 3.0
   40    38    49    46   0.09850  1.0 1.0
   40    38    49    46   0.15250 -1.0 2.0
   40    38    49    46  -0.50650  1.0 3.0
   40    38    49    50   0.00000  1.0 1.0
   40    38    49    51   0.09850  1.0 1.0
   40    38    49    51   0.15250 -1.0 2.0
   40    38    49    51  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45   0.08050  1.0 3.0
   40    42   -43    46  -0.46850  1.0 1.0
   40    42   -43    46   0.09300 -1.0 2.0
   40    42   -43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    46    47   0.23400  1.0 3.0
   42    43    46    48   0.23400  1.0 3.0
   42    43    46    49   0.62750  1.0 1.0
   42    43    46    49  -0.30950 -1.0 2.0
   42    43    46    49   0.27300  1.0 3.0
   43    46   -49    38   0.34400  1.0 1.0
   43    46   -49    38   0.09450 -1.0 2.0
   43    46   -49    38   0.11100  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.56750  1.0 1.0
   43    46    49    51  -0.07550 -1.0 2.0
   43    46    49    51   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   3.97050  1.0 1.0
   46    49    51    55   0.34400  1.0 1.0
   46    49    51    55   0.09450 -1.0 2.0
   46    49    51    55   0.11100  1.0 3.0
   47    46    49    38   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   48    46    49    38   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   49    38    40    41   7.00000 -1.0 2.0
   49    38   -40    42   7.00000 -1.0 2.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    39   0.62750  1.0 1.0
   49    51    53    39  -0.30950 -1.0 2.0
   49    51    53    39   0.27300  1.0 3.0
   49    51    53    57   0.62750  1.0 1.0
   49    51    53    57  -0.30950 -1.0 2.0
   49    51    53    57   0.27300  1.0 3.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    58   0.09850  1.0 1.0
   49    51    55    58   0.15250 -1.0 2.0
   49    51    55    58  -0.50650  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   51    53   -39    33   0.06250  1.0 1.0
   51    53   -39    33  -0.01100 -1.0 2.0
   51    53   -39    33   0.28050  1.0 3.0
   51    53    57    61   0.06250  1.0 1.0
   51    53    57    61  -0.01100 -1.0 2.0
   51    53    57    61   0.28050  1.0 3.0
   51    55    58    59   7.00000 -1.0 2.0
   51    55    58    60   7.00000 -1.0 2.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    39   0.23400  1.0 3.0
   52    51    53    57   0.23400  1.0 3.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    58   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    58   0.09850  1.0 1.0
   53    51    55    58   0.15250 -1.0 2.0
   53    51    55    58  -0.50650  1.0 3.0
   53    57    61    62   0.37050  1.0 3.0
   53    57    61    63   0.06250  1.0 1.0
   53    57    61    63  -0.01100 -1.0 2.0
   53    57    61    63   0.28050  1.0 3.0
   53    57    61    77  -0.12700  1.0 1.0
   53    57    61    77  -1.16200 -1.0 2.0
   53    57    61    77   0.58800  1.0 3.0
   54    53    39    33   0.37050  1.0 3.0
   54    53    57    61   0.37050  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33   -38    49   0.09700  1.0 1.0
   39    33   -38    49   0.15600 -1.0 2.0
   39    33   -38    49  -0.50800  1.0 3.0
   39    53    57    61  -0.53350  1.0 1.0
   39    53    57    61  -0.78350 -1.0 2.0
   39    53    57    61   0.33750  1.0 3.0
   57    53    39    33  -0.81800  1.0 1.0
   57    61    63    64   0.23400  1.0 3.0
   57    61    63    65   0.62750  1.0 1.0
   57    61    63    65  -0.30950 -1.0 2.0
   57    61    63    65   0.27300  1.0 3.0
   57    61    63    67   1.51850  1.0 1.0
   57    61    77    73  -0.70400  1.0 1.0
   57    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    39   0.61850  1.0 1.0
   55    51    53    39  -0.22750 -1.0 2.0
   55    51    53    39   0.15300  1.0 3.0
   55    51    53    57   0.61850  1.0 1.0
   55    51    53    57  -0.22750 -1.0 2.0
   55    51    53    57   0.15300  1.0 3.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    60   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    49    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   51    56    55    58  15.00000 -1.0 2.0
   59    60    58    55  15.00000 -1.0 2.0
END
