* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    154    242     447
    1     0 S   NP   _N1_     1    28.84762    98.44220   -21.95238
    2     1 S   H    _HN1     2     1.02786    96.84503   -91.83856
    3     1 S   H    _H1_     3     1.02948    61.63706    15.37655
    4     1 S   H    _H2_     4     1.02826    53.03859   160.88080
    5     1 S   CT   _CA1     5     1.50126   150.64863    96.61362
    6     5 S   HC   _HA1     6     1.09574   105.17969   109.59147
    7     5 S   CO3  _C1_     7     1.53778   112.44209   -10.62429
    8     7 S   O2Z  _O11     8     1.26376   114.99811   -42.72589
    9     7 S   O2Z  _O12     9     1.26236   114.93899   136.31749
   10     5 S   CT   _CB1    10     1.53066   107.40584  -132.44026
   11    10 S   HC   HB11    11     1.09836   109.34557   -49.59500
   12    10 S   HC   HB12    12     1.09811   110.46499    67.00442
   13    10 S   CT   _CG1    13     1.52998   112.62416  -170.55656
   14    13 S   HC   HG11    14     1.09580   110.66967   -66.41298
   15    13 S   HC   HG12    15     1.09671   109.75970    52.83136
   16    13 S   C    _CD1    16     1.51805   112.12641   173.28093
   17    16 S   O    _OE1    17     1.22742   123.25582     8.96350
   18    16 S   N    _N2_    18     1.38638   111.73563  -171.13760
   19    18 S   H    _HN2    19     1.01588   118.97302     1.27871
   20    18 S   CT1  _CA2    20     1.46205   123.38868   177.24054
   21    20 S   HC   _HA2    21     1.09735   109.34573     4.42399
   22    20 S   C    _C2_    22     1.53572   108.77590  -111.12448
   23    22 S   O    _O2_    23     1.23072   122.23330  -148.63178
   24    20 S   CT   _CB2    32     1.53276   111.50887   126.42375
   25    24 S   HC   HB21    33     1.09469   109.93727    56.91661
   26    24 S   HC   HB22    34     1.09527   110.26341   175.83143
   27    22 S   N    _N3_    24     1.38313   113.78705    38.85911
   28    27 S   H    _HN3    25     1.01572   119.60357    -3.32673
   29    24 S   S    _SG2    35     1.82757   111.45203   -64.68750
   30    27 S   CT   _CA3    26     1.45283   123.23088   177.14391
   31    30 S   HC   HA31    27     1.09548   107.52177   -64.47070
   32    30 S   HC   HA32    28     1.09557   107.97439    51.96881
   33    29 S   CT   _C20    36     1.87187    99.71721   175.06946
   34    33 S   HC   _H5_    37     1.09198   103.83703    19.46239
   35    30 S   CO3  _C3_    29     1.52964   114.07776   173.97312
   36    35 S   O2Z  _O31    30     1.26377   116.08328    -0.12033
   37    35 S   O2Z  _O32    31     1.26430   114.40795   179.93147
   38    33 S   CT   _C19    38     1.54490   109.07724   -96.61204
   39    38 S   HC   _H4_    39     1.09817   109.05537   178.95432
   40    38 S   CO4  _C18    40     1.52768   108.67581   -64.39156
   41    40 S   O    _O33    41     1.22801   123.59275   138.26240
   42    38 S   OS   _O34    75     1.42107   110.33228    59.67979
   43    40 S   CM   _C17    42     1.48362   116.71626   -44.79545
   44    43 S   HC   _H17    43     1.08393   117.13229  -162.52892
   45    42 S   CT   _C21    76     1.42133   113.34318   152.14127
   46    45 S   HC   _H18    77     1.09331   108.22665   177.22258
   47    45 S   HC   _H19    78     1.09344   111.25349    58.02706
   48    45 S   HC   _H20    79     1.09431   110.24993   -64.35326
   49    43 S   CM   _C16    44     1.34269   119.98698    11.60172
   50    49 S   CT   _C15    45     1.51007   121.45204  -166.86585
   51    50 S   HC   _H3_    46     1.09885   110.81463   -10.29216
   52    33 S   CT   _C7_    58     1.58307   114.29699   139.72473
   53    50 S   CT   _C14    47     1.54798   106.31798   104.31145
   54    53 S   HC   _H15    48     1.09942   108.14014   -81.40476
   55    53 S   HC   _H16    49     1.09813   109.66693   162.82556
   56    52 S   CT   _C6_    59     1.56339   111.78600   -43.18339
   57    56 S   HC   _H11    60     1.09424   111.32557    51.25895
   58    56 S   HC   _H12    61     1.09798   110.20564   -66.18815
   59    50 S   NT   _N4_    65     1.47774   114.21451  -131.53580
   60    53 S   CA   _C13    50     1.52073   115.80314    38.38331
   61    56 S   CT   _C5_    62     1.53705   113.86457   171.11768
   62    61 S   HC   _H9_    63     1.09600   110.13151    73.34771
   63    61 S   HC   _H10    64     1.09783   109.27284  -172.85169
   64    59 S   CT   _C4_    66     1.46446   111.56432    73.91723
   65    64 S   HC   _H6_    67     1.09583   110.44927    58.21930
   66    64 S   HC   _H7_    68     1.09505   113.09213   -63.09087
   67    64 S   HC   _H8_    69     1.09578   110.48153   175.48937
   68    60 S   CA   _C12    51     1.40697   117.39571   173.12616
   69    68 S   HA   _H14    52     1.08532   121.10043     0.58450
   70    68 S   CA   _C11    53     1.37620   118.30371  -178.78356
   71    70 S   CA   _C10    54     1.37144   121.55688     0.28255
   72    71 S   CA   _C9_    55     1.38124   122.04175    -0.58517
   73    72 S   HA   _H13    56     1.08310   118.65033   178.15093
   74    71 S   OS   _O36    70     1.36158   112.33147   179.04879
   75    60 S   CA   _C8_    57     1.43296   122.02634    -7.13375
   76    74 S   CO   _C22    71     1.44211   100.96329     0.32984
   77    76 S   HC   _H21    72     1.09607   108.67470  -121.21276
   78    76 S   HC   _H22    73     1.09610   108.68635   120.60869
   79    70 S   OS   _O35    74     1.36028   125.95847   179.48948
  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  14   6   8   4   6   9   3   3   2   1   1
  15  17   8  14  11   5   4  10   6   5   8   8   7   2   1   3
   2   1   1   8   4   9   8   5   2   5   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    75    52    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    60    72    75    52    56    57    58    61    42    45  
   38    39    40    49    75    52    56    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    75    52    56    42    45    46    47    48  
   40    41    43    52    42    45  
   41    43    44    49    50    52    42    45  
   43    44    49    42  
   45    46    47    48    43    52  
   44    49    50    51    53    75    52    56    59  
   49    50    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    60    72    75    52    56    57    58    61    59    64  
   51    53    54    55    60    68    75    52    56    61    62    63    59    64    65    66    67  
   53    54    55    60    52    61    59    64  
   56    57    58    61    62    63    59    53    60    68    71    72    73    75  
   54    55    60    68    69    70    72    75    61    59    64  
   55    60    68    75    59  
   60    68    75    59  
   57    58    61    62    63    59    64    60    72    75  
   58    61    62    63    59    75  
   61    62    63    59    75  
   64    65    66    67    60    61    62    63  
   68    69    70    71    72    73    75    79  
   62    63    64    65    66    67    75  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    75    74    76    79  
   70    71    75    79  
   71    72    73    75    74    76    77    78    79  
   72    73    75    74    76    77    78    79  
   73    75    74    76    79  
   75    74  
   76    77    78    79    75  
    0  
   77    78    79  
   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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   320.000  1.462
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   317.000  1.510
   60    68   469.000  1.400
   60    75   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    79   450.000  1.364
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    75   469.000  1.400
   75    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    59   382.000  1.448
   59    64   382.000  1.448
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   74    76   320.000  1.380
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   320.000  1.380
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    52    49    70.00000  112.02700
   33    52    75    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    65.00000  118.62400
   38    42    45    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    40.00000  117.72500
   40    43    49    65.00000  118.96000
   43    40    41    80.00000  123.72100
   43    49    50    70.00000  124.00000
   43    49    52    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.70900
   49    52    75    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    70.00000  112.17500
   50    59    61    51.80000  107.20000
   50    59    64    51.80000  107.20000
   53    50    51    37.50000  110.70000
   53    60    68    70.00000  120.00000
   53    60    75    70.00000  120.00000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    68    69    35.00000  120.00000
   60    68    70    63.00000  120.00000
   60    75    72    63.00000  120.00000
   60    75    52    70.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    79    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    79    76   100.00000  112.36700
   71    72    73    35.00000  120.00000
   71    72    75    63.00000  120.00000
   71    74    76   100.00000  112.36700
   72    75    52    70.00000  120.00000
   75    60    68    63.00000  120.00000
   75    72    73    35.00000  120.00000
   75    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    61    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    59    56.20000  109.47000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    59    64    51.80000  107.20000
   63    61    62    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    56.20000  109.47000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   74    71    72    70.00000  120.00000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    92.60000  111.55000
   78    76    77    33.00000  109.50000
   79    70    71    70.00000  120.00000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    75   0.56750  1.0 1.0
   29    33    52    75  -0.07550 -1.0 2.0
   29    33    52    75   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.65300  1.0 1.0
   33    38    40    43  -0.03850 -1.0 2.0
   33    38    40    43   0.33900  1.0 3.0
   33    38    42    45   0.06250  1.0 1.0
   33    38    42    45  -0.01100 -1.0 2.0
   33    38    42    45   0.28050  1.0 3.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    61   0.56750  1.0 1.0
   33    52    56    61  -0.07550 -1.0 2.0
   33    52    56    61   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    75   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.34400  1.0 1.0
   38    33    52    49   0.09450 -1.0 2.0
   38    33    52    49   0.11100  1.0 3.0
   38    33    52    75  -0.03700  1.0 1.0
   38    33    52    75   0.37200 -1.0 2.0
   38    33    52    75  -0.47300  1.0 3.0
   38    33    52    56   0.56750  1.0 1.0
   38    33    52    56  -0.07550 -1.0 2.0
   38    33    52    56   0.20000  1.0 3.0
   38    40    43    44   0.04550  1.0 1.0
   38    40    43    44   0.83000 -1.0 2.0
   38    40    43    44  -0.04000  1.0 3.0
   38    40   -43    49  -0.33500  1.0 1.0
   38    40   -43    49   1.06600 -1.0 2.0
   38    40   -43    49  -0.14000  1.0 3.0
   38    42    45    46   0.37050  1.0 3.0
   38    42    45    47   0.37050  1.0 3.0
   38    42    45    48   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    45   0.37050  1.0 3.0
   40    38    42    45  -1.11000  1.0 1.0
   40    38    42    45   0.50250 -1.0 2.0
   40    38    42    45   0.47450  1.0 3.0
   40    43    49    50   7.00000 -1.0 2.0
   40    43    49    52   7.00000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    49   1.00000 -1.0 2.0
   43    49    50    51   0.00000  1.0 1.0
   43    49    50    53   0.09850  1.0 1.0
   43    49    50    53   0.15250 -1.0 2.0
   43    49    50    53  -0.50650  1.0 3.0
   43    49    50    59   0.90200  1.0 1.0
   43    49    50    59   0.57900 -1.0 2.0
   43    49    50    59  -0.62100  1.0 3.0
   43    49   -52    33   0.09850  1.0 1.0
   43    49   -52    33   0.15250 -1.0 2.0
   43    49   -52    33  -0.50650  1.0 3.0
   43    49    52    75   1.44450  1.0 1.0
   43    49    52    75   0.06600 -1.0 2.0
   43    49    52    75   0.29250  1.0 3.0
   43    49    52    56   0.09850  1.0 1.0
   43    49    52    56   0.15250 -1.0 2.0
   43    49    52    56  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    60   0.21200  1.0 1.0
   49    50    53    60   0.16900 -1.0 2.0
   49    50    53    60  -1.15100  1.0 3.0
   49    50    59    61  -0.60800  1.0 1.0
   49    50    59    61   1.10050 -1.0 2.0
   49    50    59    61   0.47000  1.0 3.0
   49    50    59    64  -0.60800  1.0 1.0
   49    50    59    64   1.10050 -1.0 2.0
   49    50    59    64   0.47000  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    61   0.34400  1.0 1.0
   49    52   -56    61   0.09450 -1.0 2.0
   49    52   -56    61   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    75   0.09700  1.0 1.0
   50    49    52    75   0.15600 -1.0 2.0
   50    49    52    75  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    60    68   0.04150 -1.0 2.0
   50    53   -60    75   0.04150 -1.0 2.0
   50    59    64    65   0.28000  1.0 3.0
   50    59    64    66   0.28000  1.0 3.0
   50    59    64    67   0.28000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.43200  1.0 3.0
   51    50    59    61   0.28000  1.0 3.0
   51    50    59    64   0.28000  1.0 3.0
   53    50    59    61   0.23450  1.0 1.0
   53    50    59    61   0.02050 -1.0 2.0
   53    50    59    61   0.25250  1.0 3.0
   53    50    59    64   0.58650  1.0 1.0
   53    50    59    64   0.12600 -1.0 2.0
   53    50    59    64   0.33350  1.0 3.0
   53    60    68    69   3.62500 -1.0 2.0
   53    60    68    70   3.62500 -1.0 2.0
   53    60    75    72   3.62500 -1.0 2.0
   53    60    75    52   3.62500 -1.0 2.0
   54    53    60    68   0.00000  1.0 1.0
   54    53    60    75   0.00000  1.0 1.0
   55    53    60    68   0.00000  1.0 1.0
   55    53    60    75   0.00000  1.0 1.0
   60    68    70    71   3.62500 -1.0 2.0
   60    68    70    79   3.62500 -1.0 2.0
   60    75    52    33   0.04150 -1.0 2.0
   60    75   -52    49   0.18050 -1.0 2.0
   60    75    52    56   0.04150 -1.0 2.0
   68    60    75    72   3.62500 -1.0 2.0
   68    60    75    52   3.62500 -1.0 2.0
   68    70   -71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    79    76   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    79   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71    72    75   3.62500 -1.0 2.0
   70    71   -74    76   1.63200 -1.0 2.0
   71    70   -79    76   1.63200 -1.0 2.0
   71    72   -75    60   3.62500 -1.0 2.0
   71    72    75    52   3.62500 -1.0 2.0
   71    74    76    77   0.08050  1.0 3.0
   71    74    76    78   0.08050  1.0 3.0
   71    74   -76    79  -0.25600  1.0 1.0
   71    74   -76    79  -0.40050 -1.0 2.0
   71    74   -76    79   0.34700  1.0 3.0
   72    71    74    76   1.63200 -1.0 2.0
   72    75    52    33   0.04150 -1.0 2.0
   72    75    52    49   0.18050 -1.0 2.0
   72    75    52    56   0.04150 -1.0 2.0
   73    72    75    60   3.62500 -1.0 2.0
   73    72    75    52   3.62500 -1.0 2.0
   75    60    68    69   3.62500 -1.0 2.0
   75    60   -68    70   3.62500 -1.0 2.0
   75    52    56    57   0.43200  1.0 3.0
   75    52    56    58   0.43200  1.0 3.0
   75    52    56    61  -0.03700  1.0 1.0
   75    52    56    61   0.37200 -1.0 2.0
   75    52    56    61  -0.47300  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.95700  1.0 1.0
   52    33   -38    40  -0.18200 -1.0 2.0
   52    33   -38    40   0.29450  1.0 3.0
   52    33    38    42   0.62750  1.0 1.0
   52    33    38    42  -0.30950 -1.0 2.0
   52    33    38    42   0.27300  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49   -50    53   0.46850  1.0 1.0
   52    49   -50    53   0.08550 -1.0 2.0
   52    49   -50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    61    62   0.15000  1.0 3.0
   52    56    61    63   0.15000  1.0 3.0
   52    56   -61    59   1.53400  1.0 1.0
   52    56   -61    59  -0.09950 -1.0 2.0
   52    56   -61    59   0.05700  1.0 3.0
   56    61   -59    50   0.23450  1.0 1.0
   56    61   -59    50   0.02050 -1.0 2.0
   56    61   -59    50   0.25250  1.0 3.0
   56    61    59    64   0.58650  1.0 1.0
   56    61    59    64   0.12600 -1.0 2.0
   56    61    59    64   0.33350  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    59   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    59   0.15000  1.0 3.0
   61    59    64    65   0.28000  1.0 3.0
   61    59    64    66   0.28000  1.0 3.0
   61    59    64    67   0.28000  1.0 3.0
   62    61    59    50   0.28000  1.0 3.0
   62    61    59    64   0.28000  1.0 3.0
   63    61    59    50   0.28000  1.0 3.0
   63    61    59    64   0.28000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    55   0.15000  1.0 3.0
   59    50    53    60   0.83750  1.0 1.0
   59    50    53    60   0.32200 -1.0 2.0
   59    50    53    60   0.70600  1.0 3.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    75   3.62500 -1.0 2.0
   74    76   -79    70  -0.25600  1.0 1.0
   74    76   -79    70  -0.40050 -1.0 2.0
   74    76   -79    70   0.34700  1.0 3.0
   77    76    79    70   0.08050  1.0 3.0
   78    76    79    70   0.08050  1.0 3.0
   79    70    71    72   3.62500 -1.0 2.0
   79    70   -71    74   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.65300  1.0 1.0
   42    38    40    43  -0.03850 -1.0 2.0
   42    38    40    43   0.33900  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
   38    43    40    41  10.50000 -1.0 2.0
   40    44    43    49   1.10000 -1.0 2.0
   50    52    49    43   1.10000 -1.0 2.0
   68    75    60    53   4.00000 -1.0 2.0
   70    69    68    60   1.10000 -1.0 2.0
   71    79    70    68   4.00000 -1.0 2.0
   72    74    71    70   4.00000 -1.0 2.0
   75    73    72    71   1.10000 -1.0 2.0
   72    52    75    60   4.00000 -1.0 2.0
END
