* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    160    236     466
    1     0 S   NP   _N1_     1    29.39401    93.96336   -18.32292
    2     1 S   H    _HN1     2     1.02919    38.76526   130.43319
    3     1 S   H    _H1_     3     1.02800    70.89142   -68.66057
    4     1 S   H    _H2_     4     1.02885   108.00287    34.83630
    5     1 S   CT   _CA1     5     1.50286   136.88638  -170.73516
    6     5 S   HC   _HA1     6     1.09695   104.84888    27.05157
    7     5 S   CO3  _C1_     7     1.54405   110.98797   -89.74556
    8     7 S   O2Z  _O11     8     1.26141   116.32402  -100.24708
    9     7 S   O2Z  _O12     9     1.26467   114.04339    78.25216
   10     5 S   CT   _CB1    10     1.53164   107.14185   142.95226
   11    10 S   HC   HB11    11     1.09809   109.85497   -49.42063
   12    10 S   HC   HB12    12     1.09767   110.41405    67.31776
   13    10 S   CT   _CG1    13     1.52858   111.84956  -170.19552
   14    13 S   HC   HG11    14     1.09453   110.01024   -55.16275
   15    13 S   HC   HG12    15     1.09617   110.23720    63.60942
   16    13 S   C    _CD1    16     1.51687   112.56367  -175.83317
   17    16 S   O    _OE1    17     1.22695   123.22441   -18.41347
   18    16 S   N    _N2_    18     1.38476   111.39094   162.43120
   19    18 S   H    _HN2    19     1.01635   118.82985     2.41476
   20    18 S   CT1  _CA2    20     1.46089   124.11308  -175.41004
   21    20 S   HC   _HA2    21     1.09702   109.40520   -21.67869
   22    20 S   C    _C2_    22     1.53460   107.86512  -137.65794
   23    22 S   O    _O2_    23     1.23039   122.44404  -145.67992
   24    20 S   CT   _CB2    32     1.53572   110.89106   100.92671
   25    24 S   HC   HB21    33     1.09228   109.26898    51.62054
   26    24 S   HC   HB22    34     1.09501   110.67980   169.54773
   27    22 S   N    _N3_    24     1.38520   113.37953    41.43578
   28    27 S   H    _HN3    25     1.01531   118.93640    -0.69267
   29    24 S   S    _SG2    35     1.82982   111.84891   -71.98047
   30    27 S   CT   _CA3    26     1.45381   123.18834   176.22670
   31    30 S   HC   HA31    27     1.09550   108.89742    30.36944
   32    30 S   HC   HA32    28     1.09490   107.20466   147.23791
   33    29 S   CT   _C5_    36     1.87744   102.59048   135.51551
   34    30 S   CO3  _C3_    29     1.52911   113.30014   -92.93442
   35    34 S   O2Z  _O31    30     1.26393   115.47319   -44.71877
   36    34 S   O2Z  _O32    31     1.26375   114.95341   136.22415
   37    33 S   CT   _C4_    37     1.53859   108.76545    53.02333
   38    37 S   HC   _H8_    38     1.09439   112.35008   -76.01907
   39    37 S   HC   _H9_    39     1.09590   110.88419   164.23660
   40    37 S   HC   _H10    40     1.09637   112.17181    45.48444
   41    33 S   CT   _C6_    41     1.55254   105.53785   170.19568
   42    41 S   HC   _H11    42     1.09607   112.05292    56.17948
   43    41 S   HC   _H12    43     1.09453   110.49334   176.17730
   44    33 S   CT   _C7_    46     1.56600   108.72558   -71.06777
   45    44 S   HC   _H3_    47     1.09582   109.49553    55.57502
   46    41 S   OH   _O33    44     1.42652   111.79015   -65.39933
   47    46 S   HO   _H13    45     0.97226   106.92263  -179.39672
   48    44 S   CT   _C8_    48     1.53497   115.59743   177.13864
   49    48 S   HC   _H14    49     1.09591   109.60405   172.34235
   50    48 S   HC   _H15    50     1.09376   111.27097    55.06731
   51    44 S   OH   _O45    88     1.43303   109.10578   -61.75181
   52    51 S   HO   _H24    89     0.97616   108.26052   177.72342
   53    48 S   OS   _O34    51     1.41759   110.63312   -68.57426
   54    53 S   P2   _P1_    52     1.63442   119.24504   164.40267
   55    54 S   O2Z  _O36    53     1.51293   107.50508   175.02287
   56    54 S   O2Z  _O35    54     1.51244   108.76685   -52.53242
   57    54 S   OS   _O37    55     1.62417    98.96716    61.84646
   58    57 S   P2   _P2_    56     1.62525   131.45544  -171.22188
   59    58 S   O2Z  _O39    57     1.51265   108.85431    78.03918
   60    58 S   O2Z  _O38    58     1.51293   109.58860   -56.04725
   61    58 S   OS   _O40    59     1.63641    98.78244  -169.62263
   62    61 S   CT   _C9_    60     1.42595   118.94513    65.45811
   63    62 S   HC   _H16    61     1.09458   109.75771    -6.18849
   64    62 S   HC   _H17    62     1.09422   107.57521   111.83678
   65    62 S   CT   _C10    63     1.52268   109.04431  -128.05201
   66    65 S   HC   _H4_    64     1.09724   110.25409   -48.24580
   67    65 S   CT   _C11    65     1.52428   114.70392  -173.52401
   68    67 S   HC   _H5_    66     1.09378   112.87083    82.69744
   69    67 S   CT   _C12    67     1.51487   101.16186  -156.07632
   70    69 S   HC   _H6_    68     1.09799   108.78544   -78.34240
   71    67 S   OH   _O44    86     1.42351   111.14840   -38.39692
   72    71 S   HO   _H23    87     0.97290   107.43480  -159.49776
   73    69 S   CO   _C13    69     1.53260   103.27430    36.33380
   74    73 S   HC   _H7_    70     1.09599   108.98557  -140.46544
   75    69 S   OH   _O43    84     1.41255   113.07180   161.36368
   76    75 S   HO   _H22    85     0.97251   107.56125    64.87323
   77    73 S   N*   _N4_    71     1.47128   115.64635    98.92789
   78    65 S   OS   _O41    83     1.44625   109.46860    67.71683
   79    77 S   CNA  _C14    72     1.37759   121.16533   -97.33543
   80    79 S   HC   _H18    73     1.08297   118.01438     1.02259
   81    79 S   CM   _C15    74     1.33142   122.09478  -178.20507
   82    81 S   HC   _H19    75     1.08160   122.88565   179.14043
   83    81 S   CDX  _C16    76     1.48145   116.42426     0.25488
   84    83 S   NNC  _N5_    77     1.30446   121.82642    -1.28862
   85    83 S   NND  _N6_    80     1.37252   118.48256   178.47120
   86    85 S   H    _H20    81     1.01361   122.27633    -0.69633
   87    85 S   H    _H21    82     1.01512   120.39569  -177.95819
   88    77 S   C    _C17    78     1.40888   118.64849    82.81068
   89    88 S   O    _O42    79     1.23235   121.55717    -1.77399
  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  13   5   4   3
  17   2   1   1  11   4   3   2   8   4   3   9   6   1   1   9
   4   3   2   1   5   7   3   2   5   7   3   2   7  10   5   4
  12   6  11   7  11   7   4   1  11   5   3   1   9   2   8   4
   7   3   6   5   3   1   1   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    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    46    44    45    48    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    44    45    48    49    50    53    51    52  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48    51  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    46    47    44    45    48    51  
   43    46    47    44  
   46    47    44  
   45    48    49    50    53    54    51    52    46  
   48    49    50    53    51    52  
   47  
    0  
   49    50    53    54    55    56    57    51    52  
   50    53    54    51  
   53    54    51  
   52    53  
    0  
   54    55    56    57    58  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58    59    60    61    62  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62    63    64    65    66    67    78  
   63    64    65    66    67    68    69    73    78    71  
   64    65    66    67    78  
   65    66    67    78  
   66    67    68    69    70    73    74    77    78    75    71    72  
   67    68    69    73    78    71  
   68    69    70    73    74    77    78    75    76    71    72  
   69    70    73    78    75    71    72  
   70    73    74    77    79    88    78    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75    78  
    0  
   74    77    79    80    81    84    88    89    78    75    76  
   77    79    88    78    75  
   76    77    78  
    0  
   79    80    81    82    83    84    88    89    78  
   79    88  
   80    81    82    83    84    88    89    85  
   81    82    83    88  
   82    83    84    88    85    86    87  
   83    84    85  
   84    88    89    85    86    87  
   88    89    85    86    87  
   86    87    88  
   87  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0500   0.100000   1.3810   1.2100   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   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   85   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
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    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   553.000  0.945
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   320.000  1.410
   53    54   230.000  1.697
   54    55   525.000  1.480
   54    56   525.000  1.480
   54    57   230.000  1.697
   57    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    61   230.000  1.697
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    78   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   250.000  1.527
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    77   275.000  1.479
   73    78   320.000  1.380
   77    79   448.000  1.365
   77    88   418.000  1.388
   79    80   367.000  1.080
   79    81   549.000  1.340
   81    82   340.000  1.080
   81    83   427.000  1.433
   83    84   585.000  1.311
   83    85   481.000  1.340
   84    88   457.000  1.358
   88    89   570.000  1.229
   85    86   434.000  1.010
   85    87   434.000  1.010
   75    76   553.000  0.945
   71    72   553.000  0.945
   51    52   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    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    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    50.00000  109.50000
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   33    44    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    50.00000  109.50000
   44    51    52    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    53    54   100.00000  120.50000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    54    55   100.00000  108.23000
   53    54    56   100.00000  108.23000
   53    54    57    45.00000  102.60000
   54    57    58    50.00000  132.62000
   56    54    55   140.00000  119.90000
   57    54    55   100.00000  108.23000
   57    54    56   100.00000  108.23000
   57    58    59   100.00000  108.23000
   57    58    60   100.00000  108.23000
   57    58    61    45.00000  102.60000
   58    61    62   100.00000  120.50000
   60    58    59   140.00000  119.90000
   61    58    59   100.00000  108.23000
   61    58    60   100.00000  108.23000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    50.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    78    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    71    50.00000  109.50000
   65    78    73    60.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    73    75.00000  109.43000
   67    69    75    50.00000  109.50000
   67    71    72    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    73    74    45.00000  112.01100
   69    73    77    75.00000  107.44000
   69    73    78    90.00000  108.56700
   69    75    76    55.00000  108.50000
   73    69    70    45.00000  108.72000
   73    77    79    70.00000  121.20000
   73    77    88    70.00000  117.60000
   77    73    74    55.00000  103.44000
   77    79    80    35.00000  119.10000
   77    79    81    70.00000  121.20000
   77    88    84    70.00000  118.60000
   77    88    89    80.00000  120.60000
   79    81    82    35.00000  120.00000
   79    81    83    85.00000  117.00000
   81    79    80    35.00000  119.70000
   81    83    84    70.00000  121.02800
   81    83    85    70.00000  120.10000
   83    81    82    35.00000  123.30000
   83    84    88    70.00000  123.15400
   83    85    86    35.00000  120.00000
   83    85    87    35.00000  120.00000
   84    88    89    80.00000  122.50000
   88    77    79    70.00000  121.60000
   85    83    84    70.00000  119.30000
   87    85    86    35.00000  120.00000
   78    65    66    35.00000  109.50000
   78    65    67    50.00000  109.50000
   78    73    74    35.00000  109.50000
   78    73    77   105.00000  106.22000
   75    69    70    35.00000  109.50000
   75    69    73    90.00000  111.58700
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   51    44    45    35.00000  109.50000
   51    44    48    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    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   29    33    44    51   0.56750  1.0 1.0
   29    33    44    51  -0.07550 -1.0 2.0
   29    33    44    51   0.20000  1.0 3.0
   33    41    46    47  -0.11600  1.0 1.0
   33    41    46    47  -0.09450 -1.0 2.0
   33    41    46    47   0.21250  1.0 3.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    53   0.62750  1.0 1.0
   33    44    48    53  -0.30950 -1.0 2.0
   33    44    48    53   0.27300  1.0 3.0
   33    44    51    52  -0.11600  1.0 1.0
   33    44    51    52  -0.09450 -1.0 2.0
   33    44    51    52   0.21250  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    46   0.86500  1.0 1.0
   37    33    41    46  -0.17500 -1.0 2.0
   37    33    41    46   0.20800  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    48   0.56750  1.0 1.0
   37    33    44    48  -0.07550 -1.0 2.0
   37    33    44    48   0.20000  1.0 3.0
   37    33    44    51   0.86500  1.0 1.0
   37    33    44    51  -0.17500 -1.0 2.0
   37    33    44    51   0.20800  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    48   0.56750  1.0 1.0
   41    33    44    48  -0.07550 -1.0 2.0
   41    33    44    48   0.20000  1.0 3.0
   41    33    44    51   0.86500  1.0 1.0
   41    33    44    51  -0.17500 -1.0 2.0
   41    33    44    51   0.20800  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47   0.19450  1.0 3.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    46   0.86500  1.0 1.0
   44    33    41    46  -0.17500 -1.0 2.0
   44    33    41    46   0.20800  1.0 3.0
   44    48    53    54  -2.65550  1.0 1.0
   44    48    53    54  -0.22350 -1.0 2.0
   44    48    53    54   0.24150  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   48    44    51    52  -0.11600  1.0 1.0
   48    44    51    52  -0.09450 -1.0 2.0
   48    44    51    52   0.21250  1.0 3.0
   48    53    54    55   0.00000  1.0 1.0
   48    53    54    56   0.00000  1.0 1.0
   48    53    54    57   0.05050  1.0 1.0
   48    53    54    57  -1.30700 -1.0 2.0
   48    53    54    57   0.91550  1.0 3.0
   49    48    53    54   0.03000  1.0 3.0
   50    48    53    54   0.03000  1.0 3.0
   53    54    57    58   0.15000  1.0 3.0
   54    57    58    59   0.50000  1.0 3.0
   54    57    58    60   0.50000  1.0 3.0
   54    57    58    61   0.15000  1.0 3.0
   55    54    57    58   0.50000  1.0 3.0
   56    54    57    58   0.50000  1.0 3.0
   57    58    61    62   0.05050  1.0 1.0
   57    58    61    62  -1.30700 -1.0 2.0
   57    58    61    62   0.91550  1.0 3.0
   58    61    62    63   0.03000  1.0 3.0
   58    61    62    64   0.03000  1.0 3.0
   58    61    62    65  -2.65550  1.0 1.0
   58    61    62    65  -0.22350 -1.0 2.0
   58    61    62    65   0.24150  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   61    62    65    66   0.23400  1.0 3.0
   61    62    65    67   0.62750  1.0 1.0
   61    62    65    67  -0.30950 -1.0 2.0
   61    62    65    67   0.27300  1.0 3.0
   61    62    65    78   1.11900  1.0 1.0
   61    62    65    78  -1.16350 -1.0 2.0
   61    62    65    78  -0.34150  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.56750  1.0 1.0
   62    65    67    69  -0.07550 -1.0 2.0
   62    65    67    69   0.20000  1.0 3.0
   62    65    67    71   0.86500  1.0 1.0
   62    65    67    71  -0.17500 -1.0 2.0
   62    65    67    71   0.20800  1.0 3.0
   62    65    78    73   0.06250  1.0 1.0
   62    65    78    73  -0.01100 -1.0 2.0
   62    65    78    73   0.28050  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    78   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    78   0.23400  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67   -69    73   3.97050  1.0 1.0
   65    67    69    75   0.86500  1.0 1.0
   65    67    69    75  -0.17500 -1.0 2.0
   65    67    69    75   0.20800  1.0 3.0
   65    67    71    72  -0.11600  1.0 1.0
   65    67    71    72  -0.09450 -1.0 2.0
   65    67    71    72   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    78    73   0.37050  1.0 3.0
   67    65   -78    73   0.06250  1.0 1.0
   67    65   -78    73  -0.01100 -1.0 2.0
   67    65   -78    73   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69    73    77  -0.27100  1.0 1.0
   67    69    73    77  -0.01700 -1.0 2.0
   67    69    73    77  -0.48600  1.0 3.0
   67    69   -73    78   0.62750  1.0 1.0
   67    69   -73    78  -0.30950 -1.0 2.0
   67    69   -73    78   0.27300  1.0 3.0
   67    69    75    76  -0.11600  1.0 1.0
   67    69    75    76  -0.09450 -1.0 2.0
   67    69    75    76   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   69    73    77    79   2.08450  1.0 1.0
   69    73    77    79  -0.39300 -1.0 2.0
   69    73    77    79   0.23400  1.0 3.0
   69    73    77    88  -0.43950  1.0 1.0
   69    73    77    88  -0.08100 -1.0 2.0
   69    73    77    88   0.03350  1.0 3.0
   69    73   -78    65   0.06250  1.0 1.0
   69    73   -78    65  -0.01100 -1.0 2.0
   69    73   -78    65   0.28050  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    78   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76  -0.11600  1.0 1.0
   73    69    75    76  -0.09450 -1.0 2.0
   73    69    75    76   0.21250  1.0 3.0
   73    77    79    80   1.88100 -1.0 2.0
   73    77    79    81  -0.88150  1.0 1.0
   73    77    79    81   2.95600 -1.0 2.0
   73    77    88    84   3.62500 -1.0 2.0
   73    77    88    89   3.04450 -1.0 2.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    88   0.00000  1.0 1.0
   74    73    78    65   0.37050  1.0 3.0
   77    73    78    65  -2.37750  1.0 1.0
   77    73    78    65  -0.08150 -1.0 2.0
   77    73    78    65   0.59000  1.0 3.0
   77    79    81    82   0.97550 -1.0 2.0
   77    79    81    83   7.00000 -1.0 2.0
   79    77    88    84   3.62500 -1.0 2.0
   79    77    88    89   2.67200 -1.0 2.0
   79    81   -83    84   7.00000 -1.0 2.0
   79    81    83    85   7.00000 -1.0 2.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    83   7.00000 -1.0 2.0
   81    83    84    88   3.62500 -1.0 2.0
   81    83    85    86   0.70000 -1.0 2.0
   81    83    85    87   0.70000 -1.0 2.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    85   7.00000 -1.0 2.0
   83    84   -88    77   3.62500 -1.0 2.0
   83    84    88    89   3.04450 -1.0 2.0
   84    83    85    86   0.70000 -1.0 2.0
   84    83    85    87   0.70000 -1.0 2.0
   88    77    79    80   1.44600  1.0 1.0
   88    77   -79    81  -0.18900  1.0 1.0
   88    77   -79    81   1.70900 -1.0 2.0
   85    83    84    88   3.62500 -1.0 2.0
   78    65    67    68   0.23400  1.0 3.0
   78    65   -67    69   0.62750  1.0 1.0
   78    65   -67    69  -0.30950 -1.0 2.0
   78    65   -67    69   0.27300  1.0 3.0
   78    65    67    71   3.69350  1.0 1.0
   78    65    67    71  -1.82950 -1.0 2.0
   78    73    77    79  -0.28000  1.0 1.0
   78    73    77    79  -1.16550 -1.0 2.0
   78    73    77    88  -2.75650  1.0 1.0
   78    73    77    88  -1.18150 -1.0 2.0
   78    73    77    88   0.81900  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   2.76900  1.0 1.0
   75    69    73    77  -0.24350 -1.0 2.0
   75    69    73    77  -0.78250  1.0 3.0
   75    69    73    78   3.69350  1.0 1.0
   75    69    73    78  -1.82950 -1.0 2.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   0.86500  1.0 1.0
   71    67    69    73  -0.17500 -1.0 2.0
   71    67    69    73   0.20800  1.0 3.0
   71    67    69    75   3.75450  1.0 1.0
   51    44    48    49   0.23400  1.0 3.0
   51    44    48    50   0.23400  1.0 3.0
   51    44    48    53   3.69350  1.0 1.0
   51    44    48    53  -1.82950 -1.0 2.0
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
   79    88    77    73   1.00000 -1.0 2.0
   77    80    79    81   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    81    83    84  10.50000 -1.0 2.0
   77    84    88    89  10.50000 -1.0 2.0
   87    83    85    86   1.00000 -1.0 2.0
END
