* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    153    242     456
    1     0 S   NP   _N1_     1    28.11171    95.76912   -25.12624
    2     1 S   H    _HN1     2     1.02957    83.07428    -4.31747
    3     1 S   H    _H1_     3     1.02835    24.34046   165.76701
    4     1 S   H    _H2_     4     1.02776   112.87993  -111.34260
    5     1 S   CT   _CA1     5     1.50133   125.01996   105.76646
    6     5 S   HC   _HA1     6     1.09575   105.20813    81.60479
    7     5 S   CO3  _C1_     7     1.53783   112.36106   -38.57150
    8     7 S   O2Z  _O11     8     1.26366   114.99461   -43.78210
    9     7 S   O2Z  _O12     9     1.26235   114.93156   135.28632
   10     5 S   CT   _CB1    10     1.53096   107.41834  -160.49403
   11    10 S   HC   HB11    11     1.09827   109.31790   -50.47607
   12    10 S   HC   HB12    12     1.09815   110.43260    66.07665
   13    10 S   CT   _CG1    13     1.53021   112.67924  -171.54474
   14    13 S   HC   HG11    14     1.09593   110.49618   -64.71625
   15    13 S   HC   HG12    15     1.09658   109.90955    54.48554
   16    13 S   C    _CD1    16     1.51845   112.30915   174.84581
   17    16 S   O    _OE1    17     1.22755   123.28752     0.87603
   18    16 S   N    _N2_    18     1.38562   111.72209  -179.08593
   19    18 S   H    _HN2    19     1.01555   119.05046     4.20822
   20    18 S   CT1  _CA2    20     1.45834   122.86137   177.94062
   21    20 S   HC   _HA2    21     1.09730   108.88505    24.92780
   22    20 S   C    _C2_    22     1.52938   107.01278   -92.11885
   23    22 S   O    _O2_    23     1.22981   123.05488   -27.00747
   24    20 S   CT   _CB2    32     1.53190   112.25095   148.09737
   25    24 S   HC   HB21    33     1.09598   110.23591    54.42174
   26    24 S   HC   HB22    34     1.09474   110.01935   173.42878
   27    22 S   N    _N3_    24     1.38498   112.56880   155.72164
   28    27 S   H    _HN3    25     1.01659   120.34429    -2.13488
   29    24 S   S    _SG2    35     1.82504   111.17507   -66.42746
   30    27 S   CT   _CA3    26     1.45355   122.48526   178.61196
   31    30 S   HC   HA31    27     1.09567   107.80371   -55.80596
   32    30 S   HC   HA32    28     1.09562   107.61572    60.52571
   33    29 S   CT   _C13    36     1.83868    99.65358   171.93121
   34    33 S   HC   _H7_    37     1.09939   105.56315   -55.78032
   35    30 S   CO3  _C3_    29     1.52889   114.33023  -177.71852
   36    35 S   O2Z  _O31    30     1.26335   116.06214    -0.39909
   37    35 S   O2Z  _O32    31     1.26435   114.41063   179.56389
   38    33 S   CT   _C12    38     1.53597   113.15812    61.93704
   39    38 S   HC   _H17    39     1.09305   111.07795    37.63528
   40    38 S   HC   _H18    40     1.09687   110.76517   -80.44333
   41    38 S   CT   _C11    41     1.55036   105.58896   160.67035
   42    41 S   HC   _H6_    42     1.10043   105.20499   105.12073
   43    41 S   CM   _C9_    43     1.51878   117.16379  -137.16176
   44    41 S   CT   _C15    58     1.55980   105.80644    -7.69133
   45    44 S   HC   _H8_    59     1.10384   105.41090    91.97469
   46    43 S   CT   _C8_    44     1.50920   114.83437  -152.96501
   47    46 S   HC   _H13    45     1.09831   110.03275    42.46306
   48    46 S   HC   _H14    46     1.09867   109.97713   156.01847
   49    33 S   CT   _C14    60     1.55705   117.31501  -175.82618
   50    49 S   OM   _O35    61     1.32264   112.35408   -50.88178
   51    43 S   CM   _C10    77     1.34332   125.68390    26.28271
   52    51 S   HC   _H15    78     1.08298   122.78138     2.31021
   53    51 S   HC   _H16    79     1.08574   121.04874  -179.78330
   54    46 S   CT   _C7_    47     1.53485   114.00101   -81.51712
   55    54 S   HC   _H5_    48     1.09854   109.79817   -64.02061
   56    49 S   CT   _C18    62     1.53693   111.35594    71.02996
   57    56 S   HC   _H19    63     1.09765   112.01904   -59.31487
   58    56 S   HC   _H20    64     1.09645   112.75152  -179.33914
   59    56 S   HC   _H21    65     1.09643   110.94998    60.19341
   60    54 S   CT   _C6_    49     1.54304   113.86262    57.97884
   61    60 S   HC   _H4_    50     1.09912   109.47329    54.76757
   62    54 S   OS   _O36    70     1.44811   107.14110   177.40437
   63    60 S   CT   _C5_    51     1.53435   112.92669   175.58581
   64    63 S   HC   _H3_    52     1.09638   111.19046    34.74777
   65    62 S   CO4  _C19    71     1.36285   117.62478    86.60830
   66    65 S   O    _O37    72     1.22304   126.47679    -0.34718
   67    63 S   CO4  _C17    53     1.50464   102.69217   149.52010
   68    67 S   O    _O34    54     1.22174   125.84610   164.97987
   69    63 S   CT   _C4_    66     1.52304   113.90677   -91.16476
   70    69 S   HC   _H10    67     1.09582   111.37464   -57.26051
   71    69 S   HC   _H11    68     1.09573   110.57682  -176.23308
   72    69 S   HC   _H12    69     1.09248   111.96208    63.99508
   73    65 S   CT   _C20    73     1.49840   109.46190   179.58035
   74    73 S   HC   _H22    74     1.09285   109.81755   -62.13657
   75    73 S   HC   _H23    75     1.09378   109.36276   178.76172
   76    73 S   HC   _H24    76     1.09293   109.84436    59.77757
   77    67 S   OS   _O33    55     1.35986   110.01096   -15.89440
   78    60 S   CT   _C16    56     1.53158   113.18334   -68.62728
   79    78 S   HC   _H9_    57     1.09684   110.75173   -37.35098
  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
  16   8   2   1   1  13   6   5  18   7  14  17   7  13   6   5
   9   5   3   1   1  14   6   4   2   1   1  14   8   8  10   8
   5   4   8   3   5   2   1   1   3   2   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    78    44    45    49    50    56    57    58    59  
   38    39    40    41    44    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    43    46    78    44    45    49    50    56    51  
   40    41    42    43    44    49  
   41    42    43    44    49  
   42    43    46    47    48    54    60    77    78    79    44    45    49    50    56    51    52    53  
   43    46    78    44    45    49    51  
   46    47    48    54    55    60    78    44    45    49    62    51    52    53  
   45    49    50    56    57    58    59    51    46    54    60    61    63    67    77    78    79  
   49    50    56    60    77    78    79  
   47    48    54    55    60    61    63    78    62    65    51    52    53  
   48    54    55    60    62    51  
   54    55    60    62    51  
   50    56    57    58    59    60    77    78    79  
   56    57    58    59    78  
   52    53    54  
   53  
    0  
   55    60    61    63    64    67    77    78    79    69    62    65    66    73  
   60    61    63    78    62    65  
   57    58    59    78  
   58    59  
   59  
    0  
   61    63    64    67    68    77    78    79    69    70    71    72    62    65  
   63    64    67    77    78    79    69    62  
   65    66    73    74    75    76    63    78  
   64    67    68    77    78    79    69    70    71    72  
   67    68    77    78    69    70    71    72  
   66    73    74    75    76  
   73    74    75    76  
   68    77    78    79    69    70    71    72  
   77    78    69  
   70    71    72    77    78  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    79  
   79  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.510
   41    44   268.000  1.529
   43    46   317.000  1.510
   43    51   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   320.000  1.410
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    78   268.000  1.529
   63    64   340.000  1.090
   63    67   317.000  1.522
   63    69   268.000  1.529
   67    68   570.000  1.229
   67    77   214.000  1.327
   77    78   320.000  1.410
   78    79   340.000  1.090
   78    44   268.000  1.529
   44    45   340.000  1.090
   44    49   268.000  1.529
   49    50   570.000  1.307
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   62    65   214.000  1.327
   65    66   570.000  1.229
   65    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   51    52   340.000  1.080
   51    53   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    50    50.00000  109.50000
   33    49    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.02700
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    65.00000  117.92700
   41    43    51    70.00000  124.00000
   41    44    78    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    49    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    54    70.00000  112.02700
   43    51    52    35.00000  120.00000
   43    51    53    35.00000  120.00000
   46    54    55    37.50000  110.70000
   46    54    60    58.35000  112.70000
   46    54    62    50.00000  109.50000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    63    58.35000  112.70000
   54    60    78    58.35000  112.70000
   54    62    65    83.00000  116.90000
   60    54    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    67    63.00000  111.10000
   60    63    69    58.35000  112.70000
   60    78    77    50.00000  109.50000
   60    78    79    37.50000  110.70000
   60    78    44    58.35000  112.70000
   63    60    61    37.50000  110.70000
   63    67    68    80.00000  120.40000
   63    67    77    81.00000  111.40000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    37.50000  110.70000
   67    63    64    35.00000  109.50000
   67    77    78    83.00000  116.90000
   77    67    68    83.00000  123.40000
   77    78    79    35.00000  109.50000
   77    78    44    50.00000  109.50000
   78    60    61    37.50000  110.70000
   78    60    63    58.35000  112.70000
   78    44    45    37.50000  110.70000
   78    44    49    58.35000  112.70000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.02700
   44    78    79    37.50000  110.70000
   44    49    50    50.00000  109.50000
   44    49    56    58.35000  112.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    44    45    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   56    49    50    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   62    54    55    35.00000  109.50000
   62    54    60    50.00000  109.50000
   62    65    66    83.00000  123.40000
   62    65    73    81.00000  111.40000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   73    65    66    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   51    43    46    70.00000  124.00000
   53    51    52    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    56   0.44750  1.0 1.0
   29    33    49    56  -0.17800 -1.0 2.0
   29    33    49    56   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.34400  1.0 1.0
   33    38    41    43   0.09450 -1.0 2.0
   33    38    41    43   0.11100  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    49    56    57   0.15000  1.0 3.0
   33    49    56    58   0.15000  1.0 3.0
   33    49    56    59   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    56   0.15000  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    50   0.62750  1.0 1.0
   38    33    49    50  -0.30950 -1.0 2.0
   38    33    49    50   0.27300  1.0 3.0
   38    33    49    56   0.56750  1.0 1.0
   38    33    49    56  -0.07550 -1.0 2.0
   38    33    49    56   0.20000  1.0 3.0
   38    41    43    46   0.46850  1.0 1.0
   38    41    43    46   0.08550 -1.0 2.0
   38    41    43    46   0.09800  1.0 3.0
   38    41    43    51   0.09850  1.0 1.0
   38    41    43    51   0.15250 -1.0 2.0
   38    41    43    51  -0.50650  1.0 3.0
   38    41    44    78   0.56750  1.0 1.0
   38    41    44    78  -0.07550 -1.0 2.0
   38    41    44    78   0.20000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    43    46    47   0.34800  1.0 3.0
   41    43    46    48   0.34800  1.0 3.0
   41    43    46    54   0.46850  1.0 1.0
   41    43    46    54   0.08550 -1.0 2.0
   41    43    46    54   0.09800  1.0 3.0
   41    43    51    52   7.00000 -1.0 2.0
   41    43    51    53   7.00000 -1.0 2.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    50   0.62750  1.0 1.0
   41    44    49    50  -0.30950 -1.0 2.0
   41    44    49    50   0.27300  1.0 3.0
   41    44    49    56   0.56750  1.0 1.0
   41    44    49    56  -0.07550 -1.0 2.0
   41    44    49    56   0.20000  1.0 3.0
   42    41    43    46   0.34800  1.0 3.0
   42    41    43    51   0.00000  1.0 1.0
   42    41    44    78   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    49   0.15000  1.0 3.0
   43    41    44    78   0.34400  1.0 1.0
   43    41    44    78   0.09450 -1.0 2.0
   43    41    44    78   0.11100  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    49   0.34400  1.0 1.0
   43    41    44    49   0.09450 -1.0 2.0
   43    41    44    49   0.11100  1.0 3.0
   43    46    54    55   0.15000  1.0 3.0
   43    46    54    60   0.34400  1.0 1.0
   43    46    54    60   0.09450 -1.0 2.0
   43    46    54    60   0.11100  1.0 3.0
   43    46    54    62   0.61850  1.0 1.0
   43    46    54    62  -0.22750 -1.0 2.0
   43    46    54    62   0.15300  1.0 3.0
   46    43    51    52   7.00000 -1.0 2.0
   46    43    51    53   7.00000 -1.0 2.0
   46    54    60    61   0.15000  1.0 3.0
   46    54    60    63   0.56750  1.0 1.0
   46    54    60    63  -0.07550 -1.0 2.0
   46    54    60    63   0.20000  1.0 3.0
   46    54    60    78   0.56750  1.0 1.0
   46    54    60    78  -0.07550 -1.0 2.0
   46    54    60    78   0.20000  1.0 3.0
   46    54    62    65  -0.25900  1.0 1.0
   46    54    62    65  -0.47000 -1.0 2.0
   46    54    62    65   0.11750  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    60   0.15000  1.0 3.0
   47    46    54    62   0.23400  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    60   0.15000  1.0 3.0
   48    46    54    62   0.23400  1.0 3.0
   54    60    63    64   0.15000  1.0 3.0
   54    60    63    67  -0.95700  1.0 1.0
   54    60    63    67  -0.18200 -1.0 2.0
   54    60    63    67   0.29450  1.0 3.0
   54    60    63    69   0.56750  1.0 1.0
   54    60    63    69  -0.07550 -1.0 2.0
   54    60    63    69   0.20000  1.0 3.0
   54    60    78    77   0.62750  1.0 1.0
   54    60    78    77  -0.30950 -1.0 2.0
   54    60    78    77   0.27300  1.0 3.0
   54    60    78    79   0.15000  1.0 3.0
   54    60    78    44   0.56750  1.0 1.0
   54    60    78    44  -0.07550 -1.0 2.0
   54    60    78    44   0.20000  1.0 3.0
   54    62    65    66   3.00000 -1.0 2.0
   54    62    65    73   1.63150  1.0 1.0
   54    62    65    73   2.92000 -1.0 2.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    60    78   0.15000  1.0 3.0
   55    54    62    65   0.08050  1.0 3.0
   60    54    62    65  -0.25900  1.0 1.0
   60    54    62    65  -0.47000 -1.0 2.0
   60    54    62    65   0.11750  1.0 3.0
   60    63    67    68   0.30150 -1.0 2.0
   60    63   -67    77   0.36750  1.0 3.0
   60    63    69    70   0.15000  1.0 3.0
   60    63    69    71   0.15000  1.0 3.0
   60    63    69    72   0.15000  1.0 3.0
   60    78    44    41   0.56750  1.0 1.0
   60    78    44    41  -0.07550 -1.0 2.0
   60    78    44    41   0.20000  1.0 3.0
   60    78    44    45   0.15000  1.0 3.0
   60    78    44    49   0.56750  1.0 1.0
   60    78    44    49  -0.07550 -1.0 2.0
   60    78    44    49   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    67  -0.11250  1.0 3.0
   61    60    63    69   0.15000  1.0 3.0
   61    60    78    77   0.23400  1.0 3.0
   61    60    78    79   0.15000  1.0 3.0
   61    60    78    44   0.15000  1.0 3.0
   63    60   -78    77   0.62750  1.0 1.0
   63    60   -78    77  -0.30950 -1.0 2.0
   63    60   -78    77   0.27300  1.0 3.0
   63    60    78    79   0.15000  1.0 3.0
   63    60    78    44   0.56750  1.0 1.0
   63    60    78    44  -0.07550 -1.0 2.0
   63    60    78    44   0.20000  1.0 3.0
   63    67   -77    78   1.63150  1.0 1.0
   63    67   -77    78   2.92000 -1.0 2.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    77   0.00000  1.0 1.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   67    63    69    70  -0.11250  1.0 3.0
   67    63    69    71  -0.11250  1.0 3.0
   67    63    69    72  -0.11250  1.0 3.0
   67    77   -78    60  -0.25900  1.0 1.0
   67    77   -78    60  -0.47000 -1.0 2.0
   67    77   -78    60   0.11750  1.0 3.0
   67    77    78    79   0.08050  1.0 3.0
   67    77    78    44  -0.25900  1.0 1.0
   67    77    78    44  -0.47000 -1.0 2.0
   67    77    78    44   0.11750  1.0 3.0
   68    67    77    78   3.00000 -1.0 2.0
   77    78    44    41   0.62750  1.0 1.0
   77    78    44    41  -0.30950 -1.0 2.0
   77    78    44    41   0.27300  1.0 3.0
   77    78    44    45   0.23400  1.0 3.0
   77    78    44    49   0.62750  1.0 1.0
   77    78    44    49  -0.30950 -1.0 2.0
   77    78    44    49   0.27300  1.0 3.0
   78    60    63    64   0.15000  1.0 3.0
   78    60   -63    67  -0.95700  1.0 1.0
   78    60   -63    67  -0.18200 -1.0 2.0
   78    60   -63    67   0.29450  1.0 3.0
   78    60    63    69   0.56750  1.0 1.0
   78    60    63    69  -0.07550 -1.0 2.0
   78    60    63    69   0.20000  1.0 3.0
   78    44    49    33   0.56750  1.0 1.0
   78    44    49    33  -0.07550 -1.0 2.0
   78    44    49    33   0.20000  1.0 3.0
   78    44    49    50   0.62750  1.0 1.0
   78    44    49    50  -0.30950 -1.0 2.0
   78    44    49    50   0.27300  1.0 3.0
   78    44    49    56   0.56750  1.0 1.0
   78    44    49    56  -0.07550 -1.0 2.0
   78    44    49    56   0.20000  1.0 3.0
   79    78    44    41   0.15000  1.0 3.0
   79    78    44    45   0.15000  1.0 3.0
   79    78    44    49   0.15000  1.0 3.0
   44    41    43    46   0.46850  1.0 1.0
   44    41    43    46   0.08550 -1.0 2.0
   44    41    43    46   0.09800  1.0 3.0
   44    41    43    51   0.09850  1.0 1.0
   44    41    43    51   0.15250 -1.0 2.0
   44    41    43    51  -0.50650  1.0 3.0
   44    49    56    57   0.15000  1.0 3.0
   44    49    56    58   0.15000  1.0 3.0
   44    49    56    59   0.15000  1.0 3.0
   45    44    49    33   0.15000  1.0 3.0
   45    44    49    50   0.23400  1.0 3.0
   45    44    49    56   0.15000  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   50    49    56    57   0.23400  1.0 3.0
   50    49    56    58   0.23400  1.0 3.0
   50    49    56    59   0.23400  1.0 3.0
   69    63    67    68   0.30150 -1.0 2.0
   69    63    67    77   0.36750  1.0 3.0
   62    54    60    61   0.23400  1.0 3.0
   62    54    60    63   0.62750  1.0 1.0
   62    54    60    63  -0.30950 -1.0 2.0
   62    54    60    63   0.27300  1.0 3.0
   62    54    60    78   0.62750  1.0 1.0
   62    54    60    78  -0.30950 -1.0 2.0
   62    54    60    78   0.27300  1.0 3.0
   62    65    73    74   0.00000  1.0 1.0
   62    65    73    75   0.00000  1.0 1.0
   62    65    73    76   0.00000  1.0 1.0
   66    65    73    74   0.00000  1.0 1.0
   66    65    73    75   0.00000  1.0 1.0
   66    65    73    76   0.00000  1.0 1.0
   51    43    46    47   0.00000  1.0 1.0
   51    43    46    48   0.00000  1.0 1.0
   51    43    46    54   0.09850  1.0 1.0
   51    43    46    54   0.15250 -1.0 2.0
   51    43    46    54  -0.50650  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
   41    46    43    51   1.10000 -1.0 2.0
   63    77    67    68  10.50000 -1.0 2.0
   62    73    65    66  10.50000 -1.0 2.0
   52    53    51    43   1.10000 -1.0 2.0
END
