* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    242     460
    1     0 S   NP   _N1_     1    28.29884    97.59731   -21.19841
    2     1 S   H    _HN1     2     1.02773   101.92191  -132.19853
    3     1 S   H    _H1_     3     1.02950    70.33256   -26.76820
    4     1 S   H    _H2_     4     1.02830    41.58494   124.19180
    5     1 S   CT   _CA1     5     1.50186   142.82505    71.33089
    6     5 S   HC   _HA1     6     1.09572   105.18084    93.87917
    7     5 S   CO3  _C1_     7     1.53791   112.07253   -26.28438
    8     7 S   O2Z  _O11     8     1.26389   114.98770   -47.80876
    9     7 S   O2Z  _O12     9     1.26201   114.93541   130.80257
   10     5 S   CT   _CB1    10     1.53053   107.35115  -148.23877
   11    10 S   HC   HB11    11     1.09840   109.43134   -48.94219
   12    10 S   HC   HB12    12     1.09809   110.44323    67.62321
   13    10 S   CT   _CG1    13     1.53044   112.66935  -169.85144
   14    13 S   HC   HG11    14     1.09582   110.66429   -64.63365
   15    13 S   HC   HG12    15     1.09656   109.82782    54.61722
   16    13 S   C    _CD1    16     1.51851   111.92147   175.14006
   17    16 S   O    _OE1    17     1.22812   123.21461     9.29204
   18    16 S   N    _N2_    18     1.38430   112.01625  -171.02966
   19    18 S   H    _HN2    19     1.01846   119.45811    -0.85501
   20    18 S   CT1  _CA2    20     1.45780   122.77907  -179.70725
   21    20 S   HC   _HA2    21     1.09740   108.42041    35.20122
   22    20 S   C    _C2_    22     1.53026   107.65472   -82.20389
   23    22 S   O    _O2_    23     1.22964   123.22910   -26.23252
   24    20 S   CT   _CB2    32     1.53259   112.15631   158.18255
   25    24 S   HC   HB21    33     1.09401   109.72121    59.86654
   26    24 S   HC   HB22    34     1.09542   110.20338   177.59450
   27    22 S   N    _N3_    24     1.38553   112.45026   156.47090
   28    27 S   H    _HN3    25     1.01642   120.32294    -2.37240
   29    24 S   S    _SG2    35     1.83024   111.14563   -63.26109
   30    27 S   CT   _CA3    26     1.45340   122.48501   178.57412
   31    30 S   HC   HA31    27     1.09567   107.84916   -54.89152
   32    30 S   HC   HA32    28     1.09561   107.57847    61.44652
   33    29 S   CT   _C14    36     1.91832   101.77719   143.49942
   34    30 S   CO3  _C3_    29     1.52887   114.32546  -176.83016
   35    34 S   O2Z  _O31    30     1.26339   116.08054    -0.13988
   36    34 S   O2Z  _O32    31     1.26441   114.40926   179.81655
   37    33 S   CT   _C13    37     1.58311   102.98356    65.27783
   38    37 S   HC   _H15    38     1.10066   106.92306    57.64055
   39    37 S   HC   _H16    39     1.09748   108.60576   -56.25105
   40    33 S   CT   _C15    61     1.61466   113.38463   -58.61573
   41    40 S   OM   _O37    62     1.32689   111.56758   -29.73716
   42    40 S   HC   _H5_    63     1.09782   103.21449    96.56739
   43    33 S   CT   _C21    81     1.54589   102.02958   179.28948
   44    43 S   HC   _H19    82     1.09636   111.58093    65.97819
   45    43 S   HC   _H20    83     1.09742   111.80325   -54.55498
   46    43 S   HC   _H21    84     1.09212   112.69458  -173.34775
   47    37 S   CT   _C12    40     1.54242   124.04855   179.98022
   48    47 S   HC   _H4_    41     1.09735   107.91034  -174.05215
   49    47 S   CM   _C11    42     1.47492   115.24704    64.34133
   50    49 S   HC   _H14    43     1.08108   123.98263    50.08481
   51    49 S   CM   _C10    44     1.32996   110.85684  -122.42874
   52    51 S   CO4  _C22    45     1.47025   106.56162    -5.88690
   53    52 S   O    _O39    46     1.21833   125.62730  -175.32446
   54    51 S   CT   _C9_    48     1.48116   128.15508   166.82147
   55    54 S   HC   _H12    49     1.09877   109.68547    21.44070
   56    54 S   HC   _H13    50     1.09716   109.42190   135.67336
   57    47 S   OS   _O38    47     1.42789   113.30278   -55.64288
   58    54 S   CT   _C8_    51     1.55357   114.54451  -100.85062
   59    58 S   HC   _H3_    52     1.09861   110.15809   -68.74439
   60    58 S   CT   _C17    53     1.56256   114.32016    54.53505
   61    60 S   HC   _H7_    54     1.09671   108.82092    47.98105
   62    58 S   OS   _O34    67     1.45326   105.89516   172.90560
   63    60 S   CM   _C18    55     1.49487   112.70862   170.77105
   64    62 S   CO4  _C7_    68     1.36021   117.55848    86.93471
   65    64 S   O    _O33    69     1.21884   126.80693    -0.50085
   66    63 S   CO4  _C20    56     1.47333   109.98550   100.08552
   67    66 S   O    _O35    57     1.21788   126.91703  -168.34333
   68    63 S   CM   _C19    64     1.33634   128.33899   -83.94222
   69    68 S   HC   _H17    65     1.08476   120.75640     1.94953
   70    68 S   HC   _H18    66     1.08500   121.74044  -177.69463
   71    64 S   CM   _C6_    70     1.48214   107.09071   178.77779
   72    71 S   HC   _H11    71     1.08774   115.05467   -20.42861
   73    66 S   OS   _O36    58     1.35999   107.15175    10.72398
   74    71 S   CM   _C5_    72     1.34553   125.53712   160.70323
   75    60 S   CT   _C16    59     1.54395   112.80101   -77.14256
   76    75 S   HC   _H6_    60     1.08045   109.15341    12.19660
   77    74 S   CT   _C4_    73     1.50720   119.79971   177.42306
   78    77 S   HC   _H8_    74     1.09498   110.32100   118.36450
   79    77 S   HC   _H9_    75     1.09520   112.44731    -1.80418
   80    77 S   HC   _H10    76     1.09505   110.16447  -121.79690
   81    74 S   CT   _C23    77     1.50337   126.17919    -3.28503
   82    81 S   HC   _H22    78     1.09453   110.14734   105.19706
   83    81 S   HC   _H23    79     1.09164   113.53040   -16.84011
   84    81 S   HC   _H24    80     1.09583   110.12158  -135.58826
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  18   2   1   1  17   7   6  15   6   5   5   2   1   1   8   5
   9   4  10   6   2  11   5   4   1  13   6  12   7   7   8   6
   3   7   3   4   1   1  10   3   2   8   1   1   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    75    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    57    60    73    75    76    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    57    75    40    41    42    43    44    45    46  
   39    47    48    49    57    40    43  
   47    48    49    57    40    43  
   41    42    43    44    45    46    47    58    60    61    63    66    73    75    76  
   42    43    60    73    75    76  
   43    60    73    75    76  
   44    45    46    47    75  
   45    46  
   46  
    0  
   48    49    50    51    52    53    57    54  
   49    50    51    52    57  
   50    51    52    53    57    54    55    56    58  
   51    52    57    54  
   52    53    57    54    55    56    58    59    60    62  
   53    57    54    55    56    58  
   57    54  
   55    56    58    59    60    61    63    75    62    64    57  
   56    58    59    60    62  
   58    59    60    62  
    0  
   59    60    61    63    66    73    75    76    68    62    64    65    71  
   60    61    63    75    62    64  
   61    63    66    67    73    75    76    68    69    70    62    64  
   63    66    73    75    76    68    62  
   64    65    71    72    74    63    75  
   66    67    73    75    76    68    69    70  
   65    71    72    74    77    81  
   71    72    74  
   67    73    75    76    68    69    70  
   73    75    68  
   69    70    73    75  
   70  
    0  
   72    74    77    78    79    80    81    82    83    84  
   74    77    81  
   75    76  
   77    78    79    80    81    82    83    84  
   76  
    0  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    57   320.000  1.410
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   320.000  1.462
   51    54   317.000  1.510
   52    53   570.000  1.229
   52    57   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    75   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    73   214.000  1.327
   73    75   320.000  1.410
   75    76   340.000  1.090
   75    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   320.000  1.462
   71    72   340.000  1.080
   71    74   549.000  1.340
   74    77   317.000  1.510
   74    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    75    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    70.00000  112.02700
   37    47    57    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    35.00000  117.00000
   47    49    51    70.00000  124.00000
   47    57    52    83.00000  116.90000
   49    47    48    35.00000  109.50000
   49    51    52    65.00000  118.96000
   49    51    54    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    80.00000  123.72100
   51    52    57    90.00000  111.29400
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    58    70.00000  112.02700
   57    47    48    35.00000  109.50000
   57    47    49    85.00000  110.90400
   57    52    53    83.00000  123.40000
   54    51    52    65.00000  116.34900
   54    58    59    37.50000  110.70000
   54    58    60    58.35000  112.70000
   54    58    62    50.00000  109.50000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    63    70.00000  112.02700
   58    60    75    58.35000  112.70000
   58    62    64    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    75    73    50.00000  109.50000
   60    75    76    37.50000  110.70000
   60    75    40    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    73    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    73    75    83.00000  116.90000
   73    66    67    83.00000  123.40000
   73    75    76    35.00000  109.50000
   73    75    40    50.00000  109.50000
   75    60    61    37.50000  110.70000
   75    60    63    70.00000  112.02700
   75    40    41    50.00000  109.50000
   75    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    75    76    37.50000  110.70000
   42    40    41    45.00000  125.66300
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    90.00000  111.29400
   64    71    72    40.00000  117.72500
   64    71    74    65.00000  118.96000
   71    64    65    80.00000  123.72100
   71    74    77    70.00000  124.00000
   71    74    81    70.00000  124.00000
   74    71    72    35.00000  120.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   74    81    82    35.00000  109.50000
   74    81    83    35.00000  109.50000
   74    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    75   0.44750  1.0 1.0
   29    33    40    75  -0.17800 -1.0 2.0
   29    33    40    75   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.34400  1.0 1.0
   33    37    47    49   0.09450 -1.0 2.0
   33    37    47    49   0.11100  1.0 3.0
   33    37    47    57   0.62750  1.0 1.0
   33    37    47    57  -0.30950 -1.0 2.0
   33    37    47    57   0.27300  1.0 3.0
   37    33    40    75   0.56750  1.0 1.0
   37    33    40    75  -0.07550 -1.0 2.0
   37    33    40    75   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.00000  1.0 1.0
   37    47    49    51   0.09850  1.0 1.0
   37    47    49    51   0.15250 -1.0 2.0
   37    47    49    51  -0.50650  1.0 3.0
   37    47    57    52  -0.25900  1.0 1.0
   37    47    57    52  -0.47000 -1.0 2.0
   37    47    57    52   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    57   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    57   0.23400  1.0 3.0
   47    49   -51    52   7.00000 -1.0 2.0
   47    49    51    54   7.00000 -1.0 2.0
   48    47    49    50   0.33100  1.0 3.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    57    52   0.08050  1.0 3.0
   49    47   -57    52  -0.82050  1.0 1.0
   49    47   -57    52   0.00600 -1.0 2.0
   49    47   -57    52   0.04400  1.0 3.0
   49    51    52    53   1.00000 -1.0 2.0
   49    51   -52    57  -0.56150  1.0 1.0
   49    51   -52    57   2.19150 -1.0 2.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56   0.00000  1.0 1.0
   49    51    54    58   0.09850  1.0 1.0
   49    51    54    58   0.15250 -1.0 2.0
   49    51    54    58  -0.50650  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    54   7.00000 -1.0 2.0
   51    52   -57    47   2.00000 -1.0 2.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.34400  1.0 1.0
   51    54    58    60   0.09450 -1.0 2.0
   51    54    58    60   0.11100  1.0 3.0
   51    54    58    62   0.61850  1.0 1.0
   51    54    58    62  -0.22750 -1.0 2.0
   51    54    58    62   0.15300  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.09700  1.0 1.0
   52    51    54    58   0.15600 -1.0 2.0
   52    51    54    58  -0.50800  1.0 3.0
   53    52    57    47   3.00000 -1.0 2.0
   57    47    49    50   0.00000  1.0 1.0
   57    47   -49    51   0.39000  1.0 1.0
   57    47   -49    51  -0.05800 -1.0 2.0
   57    47   -49    51  -0.55150  1.0 3.0
   54    51    52    53  -0.64400  1.0 1.0
   54    51    52    53   0.26850 -1.0 2.0
   54    51    52    57  -0.15000  1.0 1.0
   54    51    52    57   0.89550 -1.0 2.0
   54    51    52    57  -0.06900  1.0 3.0
   54    58    60    61   0.15000  1.0 3.0
   54    58    60    63   0.34400  1.0 1.0
   54    58    60    63   0.09450 -1.0 2.0
   54    58    60    63   0.11100  1.0 3.0
   54    58    60    75   0.56750  1.0 1.0
   54    58    60    75  -0.07550 -1.0 2.0
   54    58    60    75   0.20000  1.0 3.0
   54    58    62    64  -0.25900  1.0 1.0
   54    58    62    64  -0.47000 -1.0 2.0
   54    58    62    64   0.11750  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.23400  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    62   0.23400  1.0 3.0
   58    60    63    66   0.09700  1.0 1.0
   58    60    63    66   0.15600 -1.0 2.0
   58    60    63    66  -0.50800  1.0 3.0
   58    60    63    68   0.09850  1.0 1.0
   58    60    63    68   0.15250 -1.0 2.0
   58    60    63    68  -0.50650  1.0 3.0
   58    60    75    73   0.62750  1.0 1.0
   58    60    75    73  -0.30950 -1.0 2.0
   58    60    75    73   0.27300  1.0 3.0
   58    60    75    76   0.15000  1.0 3.0
   58    60    75    40   0.56750  1.0 1.0
   58    60    75    40  -0.07550 -1.0 2.0
   58    60    75    40   0.20000  1.0 3.0
   58    62    64    65   3.00000 -1.0 2.0
   58    62    64    71   2.00000 -1.0 2.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    60    75   0.15000  1.0 3.0
   59    58    62    64   0.08050  1.0 3.0
   60    58    62    64  -0.25900  1.0 1.0
   60    58    62    64  -0.47000 -1.0 2.0
   60    58    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    73  -0.15000  1.0 1.0
   60    63   -66    73   0.89550 -1.0 2.0
   60    63   -66    73  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    75    40    33   0.56750  1.0 1.0
   60    75    40    33  -0.07550 -1.0 2.0
   60    75    40    33   0.20000  1.0 3.0
   60    75    40    41   0.62750  1.0 1.0
   60    75    40    41  -0.30950 -1.0 2.0
   60    75    40    41   0.27300  1.0 3.0
   60    75    40    42   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    75    73   0.23400  1.0 3.0
   61    60    75    76   0.15000  1.0 3.0
   61    60    75    40   0.15000  1.0 3.0
   63    60   -75    73   0.61850  1.0 1.0
   63    60   -75    73  -0.22750 -1.0 2.0
   63    60   -75    73   0.15300  1.0 3.0
   63    60    75    76   0.15000  1.0 3.0
   63    60    75    40   0.34400  1.0 1.0
   63    60    75    40   0.09450 -1.0 2.0
   63    60    75    40   0.11100  1.0 3.0
   63    66   -73    75   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    73   -75    60  -0.25900  1.0 1.0
   66    73   -75    60  -0.47000 -1.0 2.0
   66    73   -75    60   0.11750  1.0 3.0
   66    73    75    76   0.08050  1.0 3.0
   66    73    75    40  -0.25900  1.0 1.0
   66    73    75    40  -0.47000 -1.0 2.0
   66    73    75    40   0.11750  1.0 3.0
   67    66    73    75   3.00000 -1.0 2.0
   73    75    40    33   0.62750  1.0 1.0
   73    75    40    33  -0.30950 -1.0 2.0
   73    75    40    33   0.27300  1.0 3.0
   73    75    40    41   1.11900  1.0 1.0
   73    75    40    41  -1.16350 -1.0 2.0
   73    75    40    41  -0.34150  1.0 3.0
   73    75    40    42   0.23400  1.0 3.0
   75    60   -63    66   0.09700  1.0 1.0
   75    60   -63    66   0.15600 -1.0 2.0
   75    60   -63    66  -0.50800  1.0 3.0
   75    60    63    68   0.09850  1.0 1.0
   75    60    63    68   0.15250 -1.0 2.0
   75    60    63    68  -0.50650  1.0 3.0
   76    75    40    33   0.15000  1.0 3.0
   76    75    40    41   0.23400  1.0 3.0
   76    75    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    73  -0.56150  1.0 1.0
   68    63    66    73   2.19150 -1.0 2.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    63   0.61850  1.0 1.0
   62    58    60    63  -0.22750 -1.0 2.0
   62    58    60    63   0.15300  1.0 3.0
   62    58    60    75   0.62750  1.0 1.0
   62    58    60    75  -0.30950 -1.0 2.0
   62    58    60    75   0.27300  1.0 3.0
   62    64    71    72   1.63100 -1.0 2.0
   62    64    71    74  -0.56150  1.0 1.0
   62    64    71    74   2.19150 -1.0 2.0
   64    71    74    77   7.00000 -1.0 2.0
   64    71    74    81   7.00000 -1.0 2.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    74   1.00000 -1.0 2.0
   71    74    77    78   0.00000  1.0 1.0
   71    74    77    79   0.00000  1.0 1.0
   71    74    77    80   0.00000  1.0 1.0
   71    74    81    82   0.00000  1.0 1.0
   71    74    81    83   0.00000  1.0 1.0
   71    74    81    84   0.00000  1.0 1.0
   72    71    74    77   7.00000 -1.0 2.0
   72    71    74    81   7.00000 -1.0 2.0
   77    74    81    82   0.34800  1.0 3.0
   77    74    81    83   0.34800  1.0 3.0
   77    74    81    84   0.34800  1.0 3.0
   81    74    77    78   0.34800  1.0 3.0
   81    74    77    79   0.34800  1.0 3.0
   81    74    77    80   0.34800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    75   0.56750  1.0 1.0
   43    33    40    75  -0.07550 -1.0 2.0
   43    33    40    75   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   47    50    49    51   1.10000 -1.0 2.0
   52    54    51    49   1.10000 -1.0 2.0
   51    57    52    53  10.50000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    73    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
   64    72    71    74  15.00000 -1.0 2.0
   77    81    74    71  15.00000 -1.0 2.0
END
