* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    159    233     462
    1     0 S   NP   _N1_     1    31.07359    94.51608   -15.78524
    2     1 S   H    _HN1     2     1.03234   136.05849   111.17921
    3     1 S   H    _H1_     3     1.02785    29.23778    98.52197
    4     1 S   H    _H2_     4     1.02847    98.14633   -14.03518
    5     1 S   CT   _CA1     5     1.50239    91.02169  -126.35444
    6     5 S   HC   _HA1     6     1.09605   105.28919    39.31965
    7     5 S   CO3  _C1_     7     1.53732   112.22299   -80.37055
    8     7 S   O2Z  _O11     8     1.26262   115.39936   -69.12368
    9     7 S   O2Z  _O12     9     1.26278   114.86555   109.96612
   10     5 S   CT   _CB1    10     1.52785   106.90558   156.23469
   11    10 S   HC   HB11    11     1.09839   109.08741   -55.81721
   12    10 S   HC   HB12    12     1.09735   110.13751    60.04632
   13    10 S   CT   _CG1    13     1.53087   113.26225  -177.20789
   14    13 S   HC   HG11    14     1.09426   111.12318   -68.08652
   15    13 S   HC   HG12    15     1.09559   110.85889    51.76439
   16    13 S   C    _CD1    16     1.51322   109.59132   171.44861
   17    16 S   O    _OE1    17     1.22807   121.79852  -105.93597
   18    16 S   N    _N2_    18     1.38367   112.54299    71.57855
   19    18 S   H    _HN2    19     1.01830   119.13245     8.15401
   20    18 S   CT1  _CA2    20     1.46022   123.39604  -168.10725
   21    20 S   HC   _HA2    21     1.09697   109.31624   -13.61321
   22    20 S   C    _C2_    22     1.53380   109.16572  -130.13682
   23    22 S   O    _O2_    23     1.23076   122.05357  -152.38363
   24    20 S   CT   _CB2    32     1.53903   110.84835   107.93085
   25    24 S   HC   HB21    33     1.09359   108.71505    60.86045
   26    24 S   HC   HB22    34     1.09431   110.06027   179.26565
   27    22 S   N    _N3_    24     1.38461   113.77926    35.07845
   28    27 S   H    _HN3    25     1.01561   118.99767    -2.53057
   29    24 S   S    _SG2    35     1.83312   111.65327   -60.02682
   30    27 S   CT   _CA3    26     1.45359   123.08138   175.97003
   31    30 S   HC   HA31    27     1.09563   108.54083    35.59739
   32    30 S   HC   HA32    28     1.09484   107.25446   152.40319
   33    29 S   CT   _C21    36     1.86720   101.89262   173.43362
   34    33 S   OM   _O40    37     1.32239   107.91868  -177.89160
   35    30 S   CO3  _C3_    29     1.52972   113.80284   -87.45585
   36    35 S   O2Z  _O31    30     1.26359   115.76903   -38.62028
   37    35 S   O2Z  _O32    31     1.26437   114.77304   142.37280
   38    33 S   CM   _C22    38     1.53623   106.26073    69.35803
   39    38 S   HC   _H20    39     1.09628   111.95877    55.74483
   40    33 S   CT   _C20    47     1.55050   111.54019   -59.04900
   41    40 S   HC   _H18    48     1.10031   111.44736  -171.98259
   42    40 S   HC   _H19    49     1.09600   108.87458    71.41165
   43    38 S   CMA  _C23    40     1.36331   131.29622  -123.22733
   44    43 S   OM   _O39    41     1.26437   129.68643    -1.55620
   45    40 S   CO4  _C19    50     1.53820   118.32765   -49.20358
   46    45 S   O    _O38    51     1.23025   123.28968   -35.99975
   47    43 S   S    _S1_    42     1.81236   111.21280   178.82430
   48    45 S   CT   _C18    52     1.52748   115.28872   143.83143
   49    48 S   HC   _H16    53     1.09706   107.96006    22.35496
   50    48 S   HC   _H17    54     1.09430   105.02180   -92.15085
   51    47 S   CT   _C24    43     1.81148    98.70066   -91.00283
   52    51 S   HC   _H21    44     1.09324   109.13132  -179.67615
   53    51 S   HC   _H22    45     1.09348   110.62776    61.05094
   54    51 S   HC   _H23    46     1.09345   110.70023   -60.33148
   55    48 S   CT   _C17    55     1.54282   115.89513   145.32277
   56    55 S   CM   _C12    56     1.52387   109.17128  -175.41068
   57    55 S   OH   _O41    88     1.43260   109.42586    64.05235
   58    57 S   HO   _H24    89     0.97532   109.00685    64.40632
   59    56 S   CMA  _C13    57     1.35646   125.81712    98.54895
   60    59 S   OM   _O42    58     1.26458   130.71462   179.79064
   61    56 S   CO4  _C11    67     1.49694   117.85248   -82.13353
   62    61 S   O    _O36    68     1.22956   119.98059   -84.77364
   63    59 S   CT   _C14    59     1.52591   119.53451    -0.84163
   64    63 S   HC   _H12    60     1.09878   110.40044   120.17239
   65    63 S   HC   _H13    61     1.09902   110.10132  -119.78758
   66    61 S   CT   _C10    69     1.51088   117.62240    93.81704
   67    66 S   HC   _H10    70     1.09570   110.51255    -1.07938
   68    66 S   HC   _H11    71     1.09512   108.78640   115.39444
   69    63 S   CO4  _C15    62     1.51599   114.42500     0.39466
   70    69 S   O    _O37    63     1.23086   121.48259  -156.70469
   71    66 S   CO4  _C9_    72     1.51203   113.36642  -122.55749
   72    71 S   O    _O35    73     1.23095   120.47353    95.27748
   73    55 S   CT   _C16    64     1.53168   112.69519   -53.44078
   74    73 S   HC   _H14    65     1.09799   111.11845   168.88720
   75    73 S   HC   _H15    66     1.09478   112.13055    50.83548
   76    71 S   CT   _C8_    74     1.51390   117.00561   -83.13509
   77    76 S   HC   _H8_    75     1.09471   109.02750   -61.43442
   78    76 S   HC   _H9_    76     1.09359   107.92473    55.99338
   79    76 S   CO4  _C7_    77     1.51648   115.02639   177.63793
   80    79 S   O    _O34    78     1.23070   121.06952    48.51108
   81    79 S   CT   _C6_    79     1.51563   116.32606  -135.69806
   82    81 S   HC   _H6_    80     1.09505   107.18452   -77.32731
   83    81 S   HC   _H7_    81     1.09463   108.49372    40.24524
   84    81 S   CO4  _C5_    82     1.51415   116.88290   160.80240
   85    84 S   O    _O33    83     1.22934   123.51659    -6.10287
   86    84 S   CT   _C4_    84     1.50750   115.87170   175.02582
   87    86 S   HC   _H3_    85     1.09275   109.58183    60.78880
   88    86 S   HC   _H4_    86     1.09277   109.60025   -60.29124
   89    86 S   HC   _H5_    87     1.09356   109.73937  -179.70261
  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   9   5   4   3
  12   7   2   1   1   9   4   9   4   3   6   2   8   4   4  12
   5   4   3   2   1   1  14  17   7   1  10   5   9   4   7   4
   3   8   4   3   4   3   7   4   2   1   1   8   4   3   7   4
   8   4   3   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    49    50    55    43  
   42    45    46    48  
   45    46    48  
   44    47    51    52    53    54  
   47    51  
   46    48    49    50    55    56    73    57  
   48    49    50    55  
   51    52    53    54  
   49    50    55    56    59    69    73    74    75    61    57    58  
   50    55    56    73    57  
   55    56    73    57  
   52    53    54  
   53    54  
   54  
    0  
   56    59    60    63    69    70    73    74    75    61    62    66    57    58  
   59    60    63    64    65    69    73    74    75    61    62    66    67    68    71    57    58  
   58    59    61    69    73    74    75  
   73  
   60    63    64    65    69    70    73    61    62    66  
   63    64    65    69    61  
   62    66    67    68    71    72    76    63    73  
   66    67    68    71  
   64    65    69    70    73    74    75  
   65    69    70    73  
   69    70    73  
   67    68    71    72    76    77    78    79  
   68    71    72    76  
   71    72    76  
   70    73    74    75  
   73    74    75  
   72    76    77    78    79    80    81  
   76    77    78    79  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81  
   80    81    82    83    84    85    86  
   81    82    83    84  
   82    83    84    85    86    87    88    89  
   83    84    85    86  
   84    85    86  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.6000   0.3550  -0.575000   2.0300   1.8000   0.025682759  -1.666211680
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.012500   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   240.000  1.763
   47    51   222.000  1.810
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   317.000  1.510
   55    73   268.000  1.529
   55    57   320.000  1.410
   56    59   465.000  1.376
   56    61   320.000  1.462
   59    60   745.000  1.250
   59    63   270.000  1.512
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.522
   69    70   570.000  1.229
   69    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   61    62   570.000  1.229
   61    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   317.000  1.522
   71    72   570.000  1.229
   71    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.522
   84    85   570.000  1.229
   84    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   57    58   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    65.00000  137.10300
   38    43    47    65.00000  122.11800
   43    38    39    40.00000  120.50800
   43    47    51    85.00000  102.41200
   47    43    44    95.00000  113.88000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    55    63.00000  111.10000
   48    45    46    80.00000  120.40000
   48    55    56    70.00000  112.02700
   48    55    73    58.35000  112.70000
   48    55    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    56    59    70.00000  124.00000
   55    56    61    65.00000  116.34900
   55    73    69    63.00000  111.10000
   55    73    74    37.50000  110.70000
   55    73    75    37.50000  110.70000
   55    57    58    55.00000  108.50000
   56    59    60    65.00000  137.10300
   56    59    63    65.00000  122.18000
   56    61    62    80.00000  123.72100
   56    61    66    65.00000  118.62400
   59    63    64    45.00000  110.52000
   59    63    65    45.00000  110.52000
   59    63    69    70.00000  109.06800
   63    59    60    85.00000  112.85300
   63    69    70    80.00000  120.40000
   63    69    73    70.00000  116.00000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   73    55    56    70.00000  112.02700
   73    69    70    80.00000  120.40000
   75    73    74    33.00000  107.80000
   61    56    59    60.00000  125.92000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    71    75.00000  107.99600
   66    61    62    80.00000  120.40000
   66    71    72    80.00000  120.40000
   66    71    76    70.00000  116.00000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    75.00000  107.99600
   76    71    72    80.00000  120.40000
   76    79    80    80.00000  120.40000
   76    79    81    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    75.00000  107.99600
   81    79    80    80.00000  120.40000
   81    84    85    80.00000  120.40000
   81    84    86    70.00000  116.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   84    86    87    35.00000  109.50000
   84    86    88    35.00000  109.50000
   84    86    89    35.00000  109.50000
   86    84    85    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   57    55    56    90.00000  110.39200
   57    55    73    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.60050  1.0 1.0
   33    40    45    48   0.05600 -1.0 2.0
   33    40    45    48   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    51   1.00000 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.24000  1.0 3.0
   43    47    51    53   0.24000  1.0 3.0
   43    47    51    54   0.24000  1.0 3.0
   44    43    47    51   1.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    55   0.60050  1.0 1.0
   40    45    48    55   0.05600 -1.0 2.0
   40    45    48    55   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    55    56  -0.98800  1.0 1.0
   45    48    55    56   0.48800 -1.0 2.0
   45    48    55    56   0.76800  1.0 3.0
   45    48    55    73  -0.95700  1.0 1.0
   45    48    55    73  -0.18200 -1.0 2.0
   45    48    55    73   0.29450  1.0 3.0
   45    48    55    57  -0.09450  1.0 1.0
   45    48    55    57  -1.12950 -1.0 2.0
   45    48    55    57   0.54000  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    55   0.30150 -1.0 2.0
   48    55    56    59   0.09850  1.0 1.0
   48    55    56    59   0.15250 -1.0 2.0
   48    55    56    59  -0.50650  1.0 3.0
   48    55    56    61   0.09700  1.0 1.0
   48    55    56    61   0.15600 -1.0 2.0
   48    55    56    61  -0.50800  1.0 3.0
   48    55    73    69  -0.95700  1.0 1.0
   48    55    73    69  -0.18200 -1.0 2.0
   48    55    73    69   0.29450  1.0 3.0
   48    55    73    74   0.15000  1.0 3.0
   48    55    73    75   0.15000  1.0 3.0
   48    55    57    58  -0.11600  1.0 1.0
   48    55    57    58  -0.09450 -1.0 2.0
   48    55    57    58   0.21250  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    73   0.15000  1.0 3.0
   49    48    55    57   0.23400  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    73   0.15000  1.0 3.0
   50    48    55    57   0.23400  1.0 3.0
   55    56    59    60   7.00000 -1.0 2.0
   55    56    59    63   7.00000 -1.0 2.0
   55    56    61    62  -0.64400  1.0 1.0
   55    56    61    62   0.26850 -1.0 2.0
   55    56    61    66   0.25700  1.0 1.0
   55    56    61    66   0.66200 -1.0 2.0
   55    56    61    66   0.04450  1.0 3.0
   56    55    73    69  -0.98800  1.0 1.0
   56    55    73    69   0.48800 -1.0 2.0
   56    55    73    69   0.76800  1.0 3.0
   56    55    73    74   0.15000  1.0 3.0
   56    55    73    75   0.15000  1.0 3.0
   56    55    57    58  -0.07800  1.0 1.0
   56    55    57    58  -0.21500 -1.0 2.0
   56    55    57    58  -0.03150  1.0 3.0
   56    59    63    64   0.00000  1.0 1.0
   56    59    63    65   0.00000  1.0 1.0
   56    59   -63    69  -0.51250  1.0 1.0
   56    59   -63    69  -0.88800 -1.0 2.0
   56    59   -63    69   0.08850  1.0 3.0
   56    61    66    67   0.00000  1.0 1.0
   56    61    66    68   0.00000  1.0 1.0
   56    61    66    71   0.65300  1.0 1.0
   56    61    66    71  -0.03850 -1.0 2.0
   56    61    66    71   0.33900  1.0 3.0
   59    56    61    62   1.00000 -1.0 2.0
   59    56    61    66  -0.33500  1.0 1.0
   59    56    61    66   1.06600 -1.0 2.0
   59    56    61    66  -0.14000  1.0 3.0
   59    63    69    70   0.30150 -1.0 2.0
   59    63    69    73   0.65300  1.0 1.0
   59    63    69    73  -0.03850 -1.0 2.0
   59    63    69    73   0.33900  1.0 3.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    69   0.09700  1.0 1.0
   60    59    63    69   0.15600 -1.0 2.0
   60    59    63    69  -0.50800  1.0 3.0
   63    69   -73    55   0.60050  1.0 1.0
   63    69   -73    55   0.05600 -1.0 2.0
   63    69   -73    55   0.26150  1.0 3.0
   63    69    73    74   0.00000  1.0 1.0
   63    69    73    75   0.00000  1.0 1.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    73   0.00000  1.0 1.0
   65    63    69    70   0.00000  1.0 1.0
   65    63    69    73   0.00000  1.0 1.0
   70    69    73    55   0.30150 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   73    55   -56    59   0.09850  1.0 1.0
   73    55   -56    59   0.15250 -1.0 2.0
   73    55   -56    59  -0.50650  1.0 3.0
   73    55    56    61   0.09700  1.0 1.0
   73    55    56    61   0.15600 -1.0 2.0
   73    55    56    61  -0.50800  1.0 3.0
   73    55    57    58  -0.11600  1.0 1.0
   73    55    57    58  -0.09450 -1.0 2.0
   73    55    57    58   0.21250  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    63   7.00000 -1.0 2.0
   61    66    71    72   0.30150 -1.0 2.0
   61    66    71    76   0.65300  1.0 1.0
   61    66    71    76  -0.03850 -1.0 2.0
   61    66    71    76   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    71   0.30150 -1.0 2.0
   66    71    76    77   0.00000  1.0 1.0
   66    71    76    78   0.00000  1.0 1.0
   66    71    76    79   0.65300  1.0 1.0
   66    71    76    79  -0.03850 -1.0 2.0
   66    71    76    79   0.33900  1.0 3.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    76   0.00000  1.0 1.0
   68    66    71    72   0.00000  1.0 1.0
   68    66    71    76   0.00000  1.0 1.0
   71    76    79    80   0.30150 -1.0 2.0
   71    76    79    81   0.65300  1.0 1.0
   71    76    79    81  -0.03850 -1.0 2.0
   71    76    79    81   0.33900  1.0 3.0
   72    71    76    77   0.00000  1.0 1.0
   72    71    76    78   0.00000  1.0 1.0
   72    71    76    79   0.30150 -1.0 2.0
   76    79    81    82   0.00000  1.0 1.0
   76    79    81    83   0.00000  1.0 1.0
   76    79    81    84   0.65300  1.0 1.0
   76    79    81    84  -0.03850 -1.0 2.0
   76    79    81    84   0.33900  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    81   0.00000  1.0 1.0
   79    81    84    85   0.30150 -1.0 2.0
   79    81    84    86   0.65300  1.0 1.0
   79    81    84    86  -0.03850 -1.0 2.0
   79    81    84    86   0.33900  1.0 3.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.00000  1.0 1.0
   80    79    81    84   0.30150 -1.0 2.0
   81    84    86    87   0.00000  1.0 1.0
   81    84    86    88   0.00000  1.0 1.0
   81    84    86    89   0.00000  1.0 1.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   83    81    84    86   0.00000  1.0 1.0
   85    84    86    87   0.00000  1.0 1.0
   85    84    86    88   0.00000  1.0 1.0
   85    84    86    89   0.00000  1.0 1.0
   57    55    56    59   0.67800  1.0 1.0
   57    55    56    59   0.47050 -1.0 2.0
   57    55    56    59  -0.62500  1.0 3.0
   57    55    56    61   0.09700  1.0 1.0
   57    55    56    61   0.15600 -1.0 2.0
   57    55    56    61  -0.50800  1.0 3.0
   57    55    73    69  -0.09450  1.0 1.0
   57    55    73    69  -1.12950 -1.0 2.0
   57    55    73    69   0.54000  1.0 3.0
   57    55    73    74   0.23400  1.0 3.0
   57    55    73    75   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   44    47    43    38  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   55    61    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   63    73    69    70  10.50000 -1.0 2.0
   56    66    61    62  10.50000 -1.0 2.0
   66    76    71    72  10.50000 -1.0 2.0
   76    81    79    80  10.50000 -1.0 2.0
   81    86    84    85  10.50000 -1.0 2.0
END
