* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    168    247     473
    1     0 S   NP   _N1_     1    28.78821    95.94266   -20.30793
    2     1 S   H    _HN1     2     1.02778    81.24095   -75.96322
    3     1 S   H    _H1_     3     1.02962    87.65092    32.98136
    4     1 S   H    _H2_     4     1.02838    40.56854   152.90404
    5     1 S   CT   _CA1     5     1.50111   151.00564   163.22568
    6     5 S   HC   _HA1     6     1.09565   105.29210    52.04445
    7     5 S   CO3  _C1_     7     1.53846   112.31463   -68.34417
    8     7 S   O2Z  _O11     8     1.26365   115.00445   -44.20801
    9     7 S   O2Z  _O12     9     1.26233   114.94153   135.03147
   10     5 S   CT   _CB1    10     1.53086   107.44365   170.11332
   11    10 S   HC   HB11    11     1.09819   109.56484   -49.33434
   12    10 S   HC   HB12    12     1.09833   110.30203    67.26310
   13    10 S   CT   _CG1    13     1.53018   112.63693  -170.41540
   14    13 S   HC   HG11    14     1.09571   110.39497   -58.75995
   15    13 S   HC   HG12    15     1.09621   110.16447    60.42430
   16    13 S   C    _CD1    16     1.51790   112.08997  -179.26832
   17    16 S   O    _OE1    17     1.22730   123.18269   -11.34587
   18    16 S   N    _N2_    18     1.38592   111.69823   168.98084
   19    18 S   H    _HN2    19     1.01588   119.03786     1.98327
   20    18 S   CT1  _CA2    20     1.46259   123.38909  -176.65163
   21    20 S   HC   _HA2    21     1.09727   109.39286   -14.85290
   22    20 S   C    _C2_    22     1.53362   108.36146  -130.72298
   23    22 S   O    _O2_    23     1.23009   122.26434  -145.51631
   24    20 S   CT   _CB2    32     1.53464   111.13919   107.18423
   25    24 S   HC   HB21    33     1.09587   109.53369    55.45433
   26    24 S   HC   HB22    34     1.09498   110.72589   174.14355
   27    22 S   N    _N3_    24     1.38513   113.32350    41.83018
   28    27 S   H    _HN3    25     1.01532   118.91028    -0.53522
   29    24 S   S    _SG2    35     1.82824   111.64389   -66.25750
   30    27 S   CT   _CA3    26     1.45448   123.41231   175.11044
   31    30 S   HC   HA31    27     1.09527   109.18988    25.19341
   32    30 S   HC   HA32    28     1.09495   107.13027   142.19342
   33    29 S   CT   _C24    36     1.84228    99.82319   147.75431
   34    33 S   HC   _H3_    37     1.09475   106.74303   -49.56282
   35    30 S   CO3  _C3_    29     1.52932   113.16003   -98.25021
   36    35 S   O2Z  _O31    30     1.26401   115.42709   -43.82557
   37    35 S   O2Z  _O32    31     1.26359   114.96623   137.11797
   38    33 S   C3T  _C14    38     1.51196   105.89306  -165.76868
   39    38 S   HC   _H34    39     1.08709   111.38751   -66.07616
   40    33 S   CT   _C23    78     1.54986   112.37904    69.80271
   41    40 S   HC   _H55    79     1.09893   109.10744   -57.07353
   42    38 S   C3T  _C13    40     1.51785   119.73072   150.93591
   43    42 S   HC   _H33    41     1.08681   117.18768    -8.68919
   44    40 S   CO4  _C10    80     1.52474   110.65134  -172.29773
   45    44 S   O    _O24    81     1.22396   125.02107  -115.89251
   46    40 S   CT   _C20    87     1.53363   115.44046    62.40483
   47    46 S   HC   _H47    88     1.09438   112.07865    63.92952
   48    46 S   HC   _H48    89     1.09351   111.94267   -58.14036
   49    46 S   HC   _H49    90     1.09642   110.22808  -177.35766
   50    38 S   C3T  _C15    42     1.52812   124.13259    79.17581
   51    42 S   CO4  _C9_    51     1.48008   120.14548   133.76525
   52    51 S   O    _O23    52     1.22196   122.04548   144.97008
   53    44 S   OS   _O26    82     1.36606   109.69627    64.86007
   54    50 S   CT   _C18    43     1.51001   116.66250  -142.34996
   55    54 S   HC   _H41    44     1.09520   110.15753    90.66906
   56    54 S   HC   _H42    45     1.09518   112.47344   -29.23751
   57    54 S   HC   _H43    46     1.09497   110.32459  -149.83676
   58    50 S   CT   _C19    47     1.50874   121.04186     2.05395
   59    58 S   HC   _H44    48     1.09438   110.33643   -81.24549
   60    58 S   HC   _H45    49     1.09533   110.05927   159.62619
   61    58 S   HC   _H46    50     1.09396   112.92936    39.96764
   62    51 S   OS   _O25    53     1.35746   111.02200   -37.49297
   63    53 S   CT   _C21    83     1.43057   115.18938  -179.52646
   64    63 S   HC   _H50    84     1.09323   108.09974   178.69164
   65    63 S   HC   _H51    85     1.09439   110.31291    60.01685
   66    63 S   HC   _H52    86     1.09414   110.24768   -62.60164
   67    62 S   CT   _C12    54     1.43546   117.55148  -176.22893
   68    67 S   HC   _H32    55     1.09628   110.84763   -43.22437
   69    67 S   CM   _C5_    56     1.50484   107.04688  -164.97329
   70    69 S   CM   _C4_    57     1.34066   114.48248  -109.96580
   71    69 S   CT   _C16    74     1.49331   118.39666    67.94457
   72    71 S   HC   _H35    75     1.09459   110.48861   -60.92773
   73    71 S   HC   _H36    76     1.09248   112.66962   178.61012
   74    71 S   HC   _H37    77     1.09477   110.07339    58.69664
   75    70 S   CO4  _C6_    58     1.47785   105.47842    -3.15517
   76    75 S   O    _O22    59     1.22268   123.68647   179.22671
   77    70 S   CT   _C22    63     1.48890   131.74151   177.63636
   78    77 S   HC   _H53    64     1.09732   109.36318   135.23009
   79    77 S   HC   _H54    65     1.09338   110.83519    20.21639
   80    67 S   CT   _C11    60     1.52507   110.47073    81.49577
   81    80 S   HC   _H30    61     1.09328   113.32579   -11.66253
   82    80 S   HC   _H31    62     1.09438   111.18521  -137.25204
   83    77 S   CM   _C8_    66     1.50269   111.65419  -104.81948
   84    83 S   HC   _H29    67     1.08983   115.23809   -72.31443
   85    83 S   CM   _C7_    68     1.34188   127.88604   107.91900
   86    85 S   HC   _H28    69     1.08878   117.16770   179.88465
   87    85 S   CT   _C17    70     1.49253   127.84358    -0.84835
   88    87 S   HC   _H38    71     1.09458   109.63437  -119.96247
   89    87 S   HC   _H39    72     1.09129   113.55207     0.71382
   90    87 S   HC   _H40    73     1.09445   109.68141   121.45901
  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  10   5   4   3
  18   8   2   1   1  19   7  11   7  14   6  10   3   4   2   1
   1  11   8   2   4   7   3   2   1   3   2   1   1   9   3   2
   1   1  13   7  14  15   6   2   1   1   8   4   8   4   3   2
   1   1   7   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    42    50    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    54    58    51    40    41    44    45    53    46    47    48    49  
   38    39    42    50    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    50    54    55    56    57    58    59    60    61    51    52    62    40    41    44    46  
   42    43    50    54    58    51    40  
   41    44    45    53    63    46    47    48    49    42    50  
   44    45    53    46    47    48    49  
   43    50    54    55    56    57    58    59    60    61    51    52    62    67  
   50    54    58    51    52    62  
   45    53    63    64    65    66    46    47    48    49  
   53    63    46  
   47    48    49    53  
   48    49  
   49  
    0  
   54    55    56    57    58    59    60    61    51    52    62  
   52    62    67    68    69    80    54    58  
   62    67  
   63    64    65    66  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   67    68    69    70    75    80    81    82    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    75    76    80    81    82    77    71    72    73    74  
   69    70    75    80    81    82    71  
   70    75    76    80    81    82    77    78    79    83    71    72    73    74  
   75    76    80    81    82    77    78    79    83    84    85    71    72    73    74  
   72    73    74    75    77    80  
   73    74  
   74  
    0  
   76    80    81    82    77    78    79    83  
   80    81    82    77  
   78    79    83    84    85    86    87    80  
   79    83    84    85  
   83    84    85  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   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   340.000  1.090
   33    38   275.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.088
   38    42   260.000  1.509
   38    50   260.000  1.509
   42    43   340.000  1.088
   42    50   260.000  1.509
   42    51   290.000  1.496
   50    54   275.000  1.510
   50    58   275.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   51    52   570.000  1.229
   51    62   214.000  1.327
   62    67   320.000  1.410
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    80   268.000  1.529
   69    70   549.000  1.340
   69    71   317.000  1.510
   70    75   320.000  1.462
   70    77   317.000  1.510
   75    76   570.000  1.229
   75    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   317.000  1.510
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   85    87   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   268.000  1.529
   44    45   570.000  1.229
   44    53   214.000  1.327
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    42    60.00000  120.94000
   33    38    50    60.00000  120.94000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    46    58.35000  112.70000
   38    33    34    45.00000  109.38400
   38    42    43    37.50000  117.20000
   38    42    50    10.00000   60.00500
   38    42    51    65.00000  117.18000
   38    50    42    10.00000   60.00500
   38    50    54    60.00000  120.94000
   38    50    58    60.00000  120.94000
   42    38    39    37.50000  117.20000
   42    50    54    60.00000  120.94000
   42    50    58    60.00000  120.94000
   42    51    52    75.00000  121.36600
   42    51    62    81.00000  111.40000
   50    38    39    37.50000  117.20000
   50    38    42    10.00000   60.00500
   50    42    43    37.50000  117.20000
   50    54    55    45.00000  109.38400
   50    54    56    45.00000  109.38400
   50    54    57    45.00000  109.38400
   50    58    59    45.00000  109.38400
   50    58    60    45.00000  109.38400
   50    58    61    45.00000  109.38400
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   51    42    43    40.00000  116.18000
   51    42    50    65.00000  117.18000
   51    62    67    83.00000  116.90000
   62    51    52    83.00000  123.40000
   62    67    68    35.00000  109.50000
   62    67    69    85.00000  110.90400
   62    67    80    50.00000  109.50000
   67    69    70    70.00000  124.00000
   67    69    71    65.00000  117.92700
   67    80    75    63.00000  111.10000
   67    80    81    37.50000  110.70000
   67    80    82    37.50000  110.70000
   69    67    68    35.00000  109.50000
   69    70    75    65.00000  118.96000
   69    70    77    70.00000  124.00000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   70    75    76    80.00000  123.72100
   70    75    80    65.00000  118.62400
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    83    70.00000  110.12100
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   80    67    68    37.50000  110.70000
   80    67    69    70.00000  112.02700
   80    75    76    80.00000  120.40000
   82    80    81    33.00000  107.80000
   77    70    75    65.00000  116.34900
   77    83    84    35.00000  117.00000
   77    83    85    70.00000  124.00000
   79    77    78    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    79    35.00000  109.50000
   83    85    86    35.00000  120.00000
   83    85    87    70.00000  124.00000
   85    83    84    35.00000  120.00000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    35.00000  109.50000
   87    85    86    35.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   71    69    70    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.37300
   40    44    45    80.00000  120.40000
   40    44    53    81.00000  111.40000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    53    63    83.00000  116.90000
   53    44    45    83.00000  123.40000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    50   0.44750  1.0 1.0
   29    33    38    50  -0.17800 -1.0 2.0
   29    33    38    50   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38   -42    50   0.07850  1.0 1.0
   33    38   -42    50  -0.03950 -1.0 2.0
   33    38   -42    50   0.67350  1.0 3.0
   33    38    42    51  -0.95700  1.0 1.0
   33    38    42    51  -0.18200 -1.0 2.0
   33    38    42    51   0.29450  1.0 3.0
   33    38   -50    42   0.07850  1.0 1.0
   33    38   -50    42  -0.03950 -1.0 2.0
   33    38   -50    42   0.67350  1.0 3.0
   33    38    50    54   0.56750  1.0 1.0
   33    38    50    54  -0.07550 -1.0 2.0
   33    38    50    54   0.20000  1.0 3.0
   33    38    50    58   0.56750  1.0 1.0
   33    38    50    58  -0.07550 -1.0 2.0
   33    38    50    58   0.20000  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    53   0.36750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.95700  1.0 1.0
   38    33    40    44  -0.18200 -1.0 2.0
   38    33    40    44   0.29450  1.0 3.0
   38    33    40    46   0.47050  1.0 1.0
   38    33    40    46   0.03900 -1.0 2.0
   38    33    40    46   0.20100  1.0 3.0
   38    42   -50    54   0.07850  1.0 1.0
   38    42   -50    54  -0.03950 -1.0 2.0
   38    42   -50    54   0.67350  1.0 3.0
   38    42   -50    58   0.07850  1.0 1.0
   38    42   -50    58  -0.03950 -1.0 2.0
   38    42   -50    58   0.67350  1.0 3.0
   38    42    51    52   0.30150 -1.0 2.0
   38    42    51    62   0.36750  1.0 3.0
   38    50    54    55   0.15000  1.0 3.0
   38    50    54    56   0.15000  1.0 3.0
   38    50    54    57   0.15000  1.0 3.0
   38    50    58    59   0.15000  1.0 3.0
   38    50    58    60   0.15000  1.0 3.0
   38    50    58    61   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38   -42    50   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   39    38   -50    42   0.15000  1.0 3.0
   39    38    50    54   0.15000  1.0 3.0
   39    38    50    58   0.15000  1.0 3.0
   42    38   -50    54   0.07850  1.0 1.0
   42    38   -50    54  -0.03950 -1.0 2.0
   42    38   -50    54   0.67350  1.0 3.0
   42    38   -50    58   0.07850  1.0 1.0
   42    38   -50    58  -0.03950 -1.0 2.0
   42    38   -50    58   0.67350  1.0 3.0
   42    50    54    55   0.15000  1.0 3.0
   42    50    54    56   0.15000  1.0 3.0
   42    50    54    57   0.15000  1.0 3.0
   42    50    58    59   0.15000  1.0 3.0
   42    50    58    60   0.15000  1.0 3.0
   42    50    58    61   0.15000  1.0 3.0
   42    51    62    67   1.63150  1.0 1.0
   42    51    62    67   2.92000 -1.0 2.0
   43    42   -50    38   0.15000  1.0 3.0
   43    42    50    54   0.15000  1.0 3.0
   43    42    50    58   0.15000  1.0 3.0
   43    42    51    52   0.50000  1.0 3.0
   43    42    51    62   0.00000  1.0 1.0
   50    38   -42    43   0.15000  1.0 3.0
   50    38   -42    51  -0.95700  1.0 1.0
   50    38   -42    51  -0.18200 -1.0 2.0
   50    38   -42    51   0.29450  1.0 3.0
   50    42    51    52   0.30150 -1.0 2.0
   50    42    51    62   0.36750  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   0.15000  1.0 3.0
   51    42   -50    38  -0.95700  1.0 1.0
   51    42   -50    38  -0.18200 -1.0 2.0
   51    42   -50    38   0.29450  1.0 3.0
   51    42    50    54  -0.95700  1.0 1.0
   51    42    50    54  -0.18200 -1.0 2.0
   51    42    50    54   0.29450  1.0 3.0
   51    42    50    58  -0.95700  1.0 1.0
   51    42    50    58  -0.18200 -1.0 2.0
   51    42    50    58   0.29450  1.0 3.0
   51    62    67    68   0.08050  1.0 3.0
   51    62    67    69  -0.82050  1.0 1.0
   51    62    67    69   0.00600 -1.0 2.0
   51    62    67    69   0.04400  1.0 3.0
   51    62    67    80  -0.25900  1.0 1.0
   51    62    67    80  -0.47000 -1.0 2.0
   51    62    67    80   0.11750  1.0 3.0
   52    51    62    67   3.00000 -1.0 2.0
   62    67    69    70   0.39000  1.0 1.0
   62    67    69    70  -0.05800 -1.0 2.0
   62    67    69    70  -0.55150  1.0 3.0
   62    67    69    71   0.09700  1.0 1.0
   62    67    69    71   0.15600 -1.0 2.0
   62    67    69    71  -0.50800  1.0 3.0
   62    67    80    75  -0.09450  1.0 1.0
   62    67    80    75  -1.12950 -1.0 2.0
   62    67    80    75   0.54000  1.0 3.0
   62    67    80    81   0.23400  1.0 3.0
   62    67    80    82   0.23400  1.0 3.0
   67    69   -70    75   7.00000 -1.0 2.0
   67    69    70    77   7.00000 -1.0 2.0
   67    69    71    72   0.34800  1.0 3.0
   67    69    71    73   0.34800  1.0 3.0
   67    69    71    74   0.34800  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.34800  1.0 3.0
   68    67    80    75  -0.11250  1.0 3.0
   68    67    80    81   0.15000  1.0 3.0
   68    67    80    82   0.15000  1.0 3.0
   69    67   -80    75  -0.98800  1.0 1.0
   69    67   -80    75   0.48800 -1.0 2.0
   69    67   -80    75   0.76800  1.0 3.0
   69    67    80    81   0.15000  1.0 3.0
   69    67    80    82   0.15000  1.0 3.0
   69    70    75    76   1.00000 -1.0 2.0
   69    70   -75    80  -0.33500  1.0 1.0
   69    70   -75    80   1.06600 -1.0 2.0
   69    70   -75    80  -0.14000  1.0 3.0
   69    70    77    78   0.00000  1.0 1.0
   69    70    77    79   0.00000  1.0 1.0
   69    70    77    83  -0.28300  1.0 1.0
   69    70    77    83   0.26700 -1.0 2.0
   69    70    77    83  -0.63300  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.00000  1.0 1.0
   70    75   -80    67   0.65300  1.0 1.0
   70    75   -80    67  -0.03850 -1.0 2.0
   70    75   -80    67   0.33900  1.0 3.0
   70    75    80    81   0.00000  1.0 1.0
   70    75    80    82   0.00000  1.0 1.0
   70    77    83    84   0.00000  1.0 1.0
   70    77    83    85  -0.28300  1.0 1.0
   70    77    83    85   0.26700 -1.0 2.0
   70    77    83    85  -0.63300  1.0 3.0
   75    70    77    78   0.15000  1.0 3.0
   75    70    77    79   0.15000  1.0 3.0
   75    70    77    83   0.09700  1.0 1.0
   75    70    77    83   0.15600 -1.0 2.0
   75    70    77    83  -0.50800  1.0 3.0
   76    75    80    67   0.30150 -1.0 2.0
   76    75    80    81   0.00000  1.0 1.0
   76    75    80    82   0.00000  1.0 1.0
   80    67   -69    70   0.09850  1.0 1.0
   80    67   -69    70   0.15250 -1.0 2.0
   80    67   -69    70  -0.50650  1.0 3.0
   80    67    69    71   0.46850  1.0 1.0
   80    67    69    71   0.08550 -1.0 2.0
   80    67    69    71   0.09800  1.0 3.0
   77    70    75    76  -0.64400  1.0 1.0
   77    70    75    76   0.26850 -1.0 2.0
   77    70    75    80   0.25700  1.0 1.0
   77    70    75    80   0.66200 -1.0 2.0
   77    70    75    80   0.04450  1.0 3.0
   77    83    85    86   7.00000 -1.0 2.0
   77    83    85    87   7.00000 -1.0 2.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.00000  1.0 1.0
   79    77    83    84   0.33100  1.0 3.0
   79    77    83    85   0.00000  1.0 1.0
   83    85    87    88   0.00000  1.0 1.0
   83    85    87    89   0.00000  1.0 1.0
   83    85    87    90   0.00000  1.0 1.0
   84    83    85    86   7.00000 -1.0 2.0
   84    83    85    87   7.00000 -1.0 2.0
   86    85    87    88   0.33100  1.0 3.0
   86    85    87    89   0.33100  1.0 3.0
   86    85    87    90   0.33100  1.0 3.0
   71    69    70    75   7.00000 -1.0 2.0
   71    69    70    77   7.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.07850  1.0 1.0
   40    33    38    42  -0.03950 -1.0 2.0
   40    33    38    42   0.67350  1.0 3.0
   40    33    38    50   0.07850  1.0 1.0
   40    33    38    50  -0.03950 -1.0 2.0
   40    33    38    50   0.67350  1.0 3.0
   40    44    53    63   1.63150  1.0 1.0
   40    44    53    63   2.92000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    53   0.00000  1.0 1.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    49   0.15000  1.0 3.0
   44    40    46    47  -0.11250  1.0 3.0
   44    40    46    48  -0.11250  1.0 3.0
   44    40    46    49  -0.11250  1.0 3.0
   44    53    63    64   0.08050  1.0 3.0
   44    53    63    65   0.08050  1.0 3.0
   44    53    63    66   0.08050  1.0 3.0
   45    44    53    63   3.00000 -1.0 2.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    53   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    62    51    52  10.50000 -1.0 2.0
   67    71    69    70   1.10000 -1.0 2.0
   75    77    70    69   1.10000 -1.0 2.0
   70    80    75    76  10.50000 -1.0 2.0
   77    84    83    85  15.00000 -1.0 2.0
   87    86    85    83  15.00000 -1.0 2.0
   40    53    44    45  10.50000 -1.0 2.0
END
