* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    166    263     495
    1     0 S   NP   _N1_     1    28.89108    92.53303   -23.96599
    2     1 S   H    _HN1     2     1.02782   104.62166  -103.07830
    3     1 S   H    _H1_     3     1.02951    95.61964     7.55318
    4     1 S   H    _H2_     4     1.02829    14.31208   151.78902
    5     1 S   CT   _CA1     5     1.50135   123.87587   126.76565
    6     5 S   HC   _HA1     6     1.09570   105.21243    65.81416
    7     5 S   CO3  _C1_     7     1.53754   112.22479   -54.42482
    8     7 S   O2Z  _O11     8     1.26380   115.04480   -46.17654
    9     7 S   O2Z  _O12     9     1.26216   114.93476   132.87590
   10     5 S   CT   _CB1    10     1.53059   107.38054  -176.25582
   11    10 S   HC   HB11    11     1.09833   109.37707   -49.24725
   12    10 S   HC   HB12    12     1.09821   110.43569    67.32121
   13    10 S   CT   _CG1    13     1.53024   112.71479  -170.23636
   14    13 S   HC   HG11    14     1.09569   110.58247   -63.96274
   15    13 S   HC   HG12    15     1.09651   109.94722    55.33784
   16    13 S   C    _CD1    16     1.51822   112.05446   175.66541
   17    16 S   O    _OE1    17     1.22755   123.21400     1.94762
   18    16 S   N    _N2_    18     1.38616   111.80714  -178.17844
   19    18 S   H    _HN2    19     1.01617   119.10291     1.32869
   20    18 S   CT1  _CA2    20     1.46303   123.26746  -179.80021
   21    20 S   HC   _HA2    21     1.09732   109.34402    -2.23870
   22    20 S   C    _C2_    22     1.53390   108.76474  -117.95160
   23    22 S   O    _O2_    23     1.23056   122.27099  -148.43851
   24    20 S   CT   _CB2    32     1.53442   111.45949   119.55968
   25    24 S   HC   HB21    33     1.09413   108.98121    58.72362
   26    24 S   HC   HB22    34     1.09494   110.40465   177.86210
   27    22 S   N    _N3_    24     1.38339   113.62169    39.10086
   28    27 S   H    _HN3    25     1.01618   119.52014    -3.78020
   29    24 S   S    _SG2    35     1.82644   110.95697   -61.89844
   30    27 S   CT   _CA3    26     1.45278   123.11730   176.95451
   31    30 S   HC   HA31    27     1.09553   107.56828   -62.80307
   32    30 S   HC   HA32    28     1.09560   107.89119    53.58588
   33    29 S   CT   _C10    36     1.83974   101.88102  -177.64657
   34    33 S   HC   _H5_    37     1.09870   103.71895    59.60763
   35    30 S   CO3  _C3_    29     1.52933   114.16846   175.55750
   36    35 S   O2Z  _O31    30     1.26362   116.09242    -0.08156
   37    35 S   O2Z  _O32    31     1.26437   114.40184   179.95577
   38    33 S   CM   _C8_    38     1.51099   112.22922   -54.44894
   39    33 S   CT   _C11    64     1.56077   112.86179   174.38940
   40    39 S   HC   _H6_    65     1.09757   109.80783   154.08326
   41    38 S   CM   _C9_    39     1.34283   123.76446    97.97172
   42    41 S   HC   _H13    40     1.08238   124.15301    -2.64553
   43    39 S   CT   _C23    66     1.53954   110.04229   -90.92524
   44    43 S   HC   _H27    67     1.09549   111.63201    59.50657
   45    43 S   HC   _H28    68     1.09529   110.75842   -61.01779
   46    43 S   HC   _H29    69     1.09583   110.87245   179.50703
   47    41 S   CT   _C5_    41     1.49371   113.55426   178.31716
   48    47 S   HC   _H3_    42     1.09599   110.09214  -126.88600
   49    47 S   CT   _C6_    43     1.53316   102.95403    -9.87315
   50    49 S   HC   _H11    44     1.09626   112.58147   137.50120
   51    49 S   HC   _H12    45     1.09863   108.86834  -104.81809
   52    47 S   CT   _C4_    82     1.52347   111.77650   111.57928
   53    52 S   HC   _H8_    83     1.09529   111.98218   -57.42992
   54    52 S   HC   _H9_    84     1.09512   110.54559  -177.74710
   55    52 S   HC   _H10    85     1.09560   110.77432    62.77652
   56    38 S   CT   _C7_    46     1.49962   125.46959   -87.24109
   57    56 S   HC   _H4_    47     1.08960   109.98859   -54.18963
   58    56 S   CO4  _C16    48     1.52757   113.09968    70.15086
   59    58 S   O    _O34    49     1.23298   121.19986    50.93529
   60    58 S   CT   _C15    50     1.53875   117.37723  -127.56232
   61    60 S   CO4  _C17    51     1.52736   112.00011  -168.94078
   62    61 S   O    _O35    52     1.22659   123.93470    56.93598
   63    60 S   CT   _C22    78     1.53379   110.87842   -50.39950
   64    63 S   HC   _H24    79     1.09180   113.48264    79.63731
   65    63 S   HC   _H25    80     1.09745   110.26146   -39.85189
   66    63 S   HC   _H26    81     1.09319   112.88463  -157.72997
   67    61 S   CT   _C18    53     1.50760   113.14801  -122.29716
   68    67 S   HC   _H16    54     1.09408   107.47567   103.21001
   69    67 S   HC   _H17    55     1.09325   110.63845  -136.62914
   70    67 S   CT   _C19    56     1.54012   103.57029   -15.32457
   71    60 S   CT   _C14    57     1.55819   108.20756    81.18417
   72    71 S   HC   _H7_    58     1.09877   105.20902    35.08937
   73    70 S   CT   _C20    70     1.53824   110.35378   -91.96417
   74    73 S   HC   _H18    71     1.09404   112.04861  -179.29779
   75    73 S   HC   _H19    72     1.08974   112.99072    58.75420
   76    73 S   HC   _H20    73     1.09692   110.41264   -60.54439
   77    70 S   CT   _C21    74     1.53895   109.76337   149.35210
   78    77 S   HC   _H21    75     1.09504   111.28942  -179.73459
   79    77 S   HC   _H22    76     1.09596   110.95257    60.31346
   80    77 S   HC   _H23    77     1.09594   111.58909   -59.37421
   81    71 S   CT   _C13    59     1.53725   116.70350   -82.65453
   82    81 S   HC   _H14    60     1.08955   113.96694    -4.21073
   83    81 S   HC   _H15    61     1.09427   111.93904  -123.28094
   84    81 S   CO4  _C12    62     1.52255   111.51805   118.60253
   85    84 S   O    _O33    63     1.23444   119.45521    79.05777
  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   9   5   4   3
  18   7   2   1   1  17  13   7  13   5   6   3   2   1  11   8
  11   5   4   4   2   1   1   7   3  13   4  18  14   6   8   3
   2   1  14   5   4  14  14   6   8   3   2   1   4   2   1   1
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    84    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    49    56    57    58    81    84    85    39    40    43    44    45    46  
   38    41    56    84    39    40    43  
   36    37  
   37  
    0  
   41    42    47    48    49    50    51    56    57    58    59    60    84    39    40    43    52  
   40    43    44    45    46    41    56    71    81    82    83    84    85  
   43    44    45    46    81    84    85  
   42    47    48    49    50    51    56    57    58    52    53    54    55  
   47    48    49    56    52  
   44    45    46    81    84    85  
   45    46    84  
   46    84  
   84  
   48    49    50    51    56    57    58    52    53    54    55  
   49    50    51    56    52    53    54    55  
   50    51    56    57    58    59    60    52    53    54    55  
   51    56    57    58    52  
   56    57    58    52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    71    63  
   58    59    60  
   59    60    61    62    67    70    71    72    81    63    64    65    66  
   60    61    71    63  
   61    62    67    68    69    70    71    72    81    82    83    84    73    77    63    64    65    66  
   62    67    68    69    70    71    72    81    73    77    63    64    65    66  
   67    68    69    70    71    63  
   64    65    66    67    70    71    72    81  
   65    66    71  
   66    71  
   71  
   68    69    70    71    72    81    73    74    75    76    77    78    79    80  
   69    70    71    73    77  
   70    71    73    77  
   71    72    81    82    83    84    73    74    75    76    77    78    79    80  
   72    81    82    83    84    85    73    74    75    76    77    78    79    80  
   81    82    83    84    73    77  
   74    75    76    77    78    79    80    81  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    56   317.000  1.510
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   317.000  1.522
   58    59   570.000  1.229
   58    60   317.000  1.522
   60    61   317.000  1.522
   60    71   268.000  1.529
   60    63   268.000  1.529
   61    62   570.000  1.229
   61    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    77   268.000  1.529
   71    72   340.000  1.090
   71    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.522
   84    85   570.000  1.229
   84    39   317.000  1.522
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    56    65.00000  117.92700
   33    39    84    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   38    56    49    70.00000  112.02700
   38    56    57    35.00000  109.50000
   38    56    58    70.00000  109.06800
   41    47    48    35.00000  109.50000
   41    47    49    70.00000  112.02700
   41    47    52    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    56    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   49    47    48    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    63.00000  111.10000
   51    49    50    33.00000  107.80000
   56    38    41    70.00000  124.00000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    58    59    80.00000  120.40000
   56    58    60    70.00000  116.00000
   58    56    57    35.00000  109.50000
   58    60    61    75.00000  107.99600
   58    60    71    63.00000  111.10000
   58    60    63    63.00000  111.10000
   60    58    59    80.00000  120.40000
   60    61    62    80.00000  120.40000
   60    61    67    70.00000  116.00000
   60    71    70    58.35000  112.70000
   60    71    72    37.50000  110.70000
   60    71    81    58.35000  112.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    63.00000  111.10000
   67    61    62    80.00000  120.40000
   67    70    71    58.35000  112.70000
   67    70    73    58.35000  112.70000
   67    70    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    71    72    37.50000  110.70000
   70    71    81    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    37.50000  110.70000
   71    60    61    63.00000  111.10000
   71    81    82    37.50000  110.70000
   71    81    83    37.50000  110.70000
   71    81    84    63.00000  111.10000
   81    71    72    37.50000  110.70000
   81    84    85    80.00000  120.40000
   81    84    39    70.00000  116.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   84    39    40    35.00000  109.50000
   84    39    43    63.00000  111.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    84    85    80.00000  120.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   43    39    40    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   73    70    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    71    58.35000  112.70000
   77    70    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   63    60    61    63.00000  111.10000
   63    60    71    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    56   0.30250  1.0 1.0
   29    33    38    56  -0.14950 -1.0 2.0
   29    33    38    56   0.36900  1.0 3.0
   29    33    39    84   0.56750  1.0 1.0
   29    33    39    84  -0.07550 -1.0 2.0
   29    33    39    84   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    56    49   0.46850  1.0 1.0
   33    38    56    49   0.08550 -1.0 2.0
   33    38    56    49   0.09800  1.0 3.0
   33    38    56    57   0.34800  1.0 3.0
   33    38    56    58   0.17250  1.0 1.0
   33    38    56    58  -0.04100 -1.0 2.0
   33    38    56    58  -0.33850  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.34800  1.0 3.0
   34    33    39    84  -0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    84  -0.98800  1.0 1.0
   38    33    39    84   0.48800 -1.0 2.0
   38    33    39    84   0.76800  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41   -47    49   0.09850  1.0 1.0
   38    41   -47    49   0.15250 -1.0 2.0
   38    41   -47    49  -0.50650  1.0 3.0
   38    41    47    52   0.09850  1.0 1.0
   38    41    47    52   0.15250 -1.0 2.0
   38    41    47    52  -0.50650  1.0 3.0
   38    56    58    59   0.30150 -1.0 2.0
   38    56    58    60   0.65300  1.0 1.0
   38    56    58    60  -0.03850 -1.0 2.0
   38    56    58    60   0.33900  1.0 3.0
   41    38   -56    49   0.09850  1.0 1.0
   41    38   -56    49   0.15250 -1.0 2.0
   41    38   -56    49  -0.50650  1.0 3.0
   41    38    56    57   0.00000  1.0 1.0
   41    38    56    58  -0.51250  1.0 1.0
   41    38    56    58  -0.88800 -1.0 2.0
   41    38    56    58   0.08850  1.0 3.0
   41    47    49    50   0.15000  1.0 3.0
   41    47    49    51   0.15000  1.0 3.0
   41    47   -49    56   0.34400  1.0 1.0
   41    47   -49    56   0.09450 -1.0 2.0
   41    47   -49    56   0.11100  1.0 3.0
   41    47    52    53   0.15000  1.0 3.0
   41    47    52    54   0.15000  1.0 3.0
   41    47    52    55   0.15000  1.0 3.0
   42    41    47    48   0.33100  1.0 3.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    52   0.00000  1.0 1.0
   47    49   -56    38   0.34400  1.0 1.0
   47    49   -56    38   0.09450 -1.0 2.0
   47    49   -56    38   0.11100  1.0 3.0
   47    49    56    57   0.15000  1.0 3.0
   47    49    56    58  -0.95700  1.0 1.0
   47    49    56    58  -0.18200 -1.0 2.0
   47    49    56    58   0.29450  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    56   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    55   0.15000  1.0 3.0
   49    56    58    59   0.30150 -1.0 2.0
   49    56    58    60   0.60050  1.0 1.0
   49    56    58    60   0.05600 -1.0 2.0
   49    56    58    60   0.26150  1.0 3.0
   50    49    56    38   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58  -0.11250  1.0 3.0
   51    49    56    38   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58  -0.11250  1.0 3.0
   56    38    41    42   7.00000 -1.0 2.0
   56    38   -41    47   7.00000 -1.0 2.0
   56    58    60    61   0.65300  1.0 1.0
   56    58    60    61  -0.03850 -1.0 2.0
   56    58    60    61   0.33900  1.0 3.0
   56    58    60    71   0.60050  1.0 1.0
   56    58    60    71   0.05600 -1.0 2.0
   56    58    60    71   0.26150  1.0 3.0
   56    58    60    63   0.60050  1.0 1.0
   56    58    60    63   0.05600 -1.0 2.0
   56    58    60    63   0.26150  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.00000  1.0 1.0
   58    60    61    62   0.30150 -1.0 2.0
   58    60    61    67   0.65300  1.0 1.0
   58    60    61    67  -0.03850 -1.0 2.0
   58    60    61    67   0.33900  1.0 3.0
   58    60    71    70  -0.95700  1.0 1.0
   58    60    71    70  -0.18200 -1.0 2.0
   58    60    71    70   0.29450  1.0 3.0
   58    60    71    72  -0.11250  1.0 3.0
   58    60    71    81  -0.95700  1.0 1.0
   58    60    71    81  -0.18200 -1.0 2.0
   58    60    71    81   0.29450  1.0 3.0
   58    60    63    64  -0.11250  1.0 3.0
   58    60    63    65  -0.11250  1.0 3.0
   58    60    63    66  -0.11250  1.0 3.0
   59    58    60    61   0.30150 -1.0 2.0
   59    58    60    71   0.30150 -1.0 2.0
   59    58    60    63   0.30150 -1.0 2.0
   60    61    67    68   0.00000  1.0 1.0
   60    61    67    69   0.00000  1.0 1.0
   60    61   -67    70   0.60050  1.0 1.0
   60    61   -67    70   0.05600 -1.0 2.0
   60    61   -67    70   0.26150  1.0 3.0
   60    71    81    82   0.15000  1.0 3.0
   60    71    81    83   0.15000  1.0 3.0
   60    71    81    84  -0.95700  1.0 1.0
   60    71    81    84  -0.18200 -1.0 2.0
   60    71    81    84   0.29450  1.0 3.0
   61    60   -71    70  -0.95700  1.0 1.0
   61    60   -71    70  -0.18200 -1.0 2.0
   61    60   -71    70   0.29450  1.0 3.0
   61    60    71    72  -0.11250  1.0 3.0
   61    60    71    81  -0.95700  1.0 1.0
   61    60    71    81  -0.18200 -1.0 2.0
   61    60    71    81   0.29450  1.0 3.0
   61    60    63    64  -0.11250  1.0 3.0
   61    60    63    65  -0.11250  1.0 3.0
   61    60    63    66  -0.11250  1.0 3.0
   61    67   -70    71  -0.95700  1.0 1.0
   61    67   -70    71  -0.18200 -1.0 2.0
   61    67   -70    71   0.29450  1.0 3.0
   61    67    70    73  -0.95700  1.0 1.0
   61    67    70    73  -0.18200 -1.0 2.0
   61    67    70    73   0.29450  1.0 3.0
   61    67    70    77  -0.95700  1.0 1.0
   61    67    70    77  -0.18200 -1.0 2.0
   61    67    70    77   0.29450  1.0 3.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    69   0.00000  1.0 1.0
   62    61    67    70   0.30150 -1.0 2.0
   67    70   -71    60   0.56750  1.0 1.0
   67    70   -71    60  -0.07550 -1.0 2.0
   67    70   -71    60   0.20000  1.0 3.0
   67    70    71    72   0.15000  1.0 3.0
   67    70    71    81   0.56750  1.0 1.0
   67    70    71    81  -0.07550 -1.0 2.0
   67    70    71    81   0.20000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.15000  1.0 3.0
   67    70    77    78   0.15000  1.0 3.0
   67    70    77    79   0.15000  1.0 3.0
   67    70    77    80   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    67    70    77   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   69    67    70    77   0.15000  1.0 3.0
   70    71    81    82   0.15000  1.0 3.0
   70    71    81    83   0.15000  1.0 3.0
   70    71    81    84  -0.95700  1.0 1.0
   70    71    81    84  -0.18200 -1.0 2.0
   70    71    81    84   0.29450  1.0 3.0
   71    60    61    62   0.30150 -1.0 2.0
   71    60   -61    67   0.60050  1.0 1.0
   71    60   -61    67   0.05600 -1.0 2.0
   71    60   -61    67   0.26150  1.0 3.0
   71    60    63    64   0.15000  1.0 3.0
   71    60    63    65   0.15000  1.0 3.0
   71    60    63    66   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   71    81    84    85   0.30150 -1.0 2.0
   71    81    84    39   0.60050  1.0 1.0
   71    81    84    39   0.05600 -1.0 2.0
   71    81    84    39   0.26150  1.0 3.0
   72    71    81    82   0.15000  1.0 3.0
   72    71    81    83   0.15000  1.0 3.0
   72    71    81    84  -0.11250  1.0 3.0
   81    84    39    33   0.60050  1.0 1.0
   81    84    39    33   0.05600 -1.0 2.0
   81    84    39    33   0.26150  1.0 3.0
   81    84    39    40   0.00000  1.0 1.0
   81    84    39    43   0.60050  1.0 1.0
   81    84    39    43   0.05600 -1.0 2.0
   81    84    39    43   0.26150  1.0 3.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    39   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   83    81    84    39   0.00000  1.0 1.0
   84    39    43    44  -0.11250  1.0 3.0
   84    39    43    45  -0.11250  1.0 3.0
   84    39    43    46  -0.11250  1.0 3.0
   85    84    39    33   0.30150 -1.0 2.0
   85    84    39    40   0.00000  1.0 1.0
   85    84    39    43   0.30150 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    56   0.46850  1.0 1.0
   39    33    38    56   0.08550 -1.0 2.0
   39    33    38    56   0.09800  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   73    70    71    60   0.56750  1.0 1.0
   73    70    71    60  -0.07550 -1.0 2.0
   73    70    71    60   0.20000  1.0 3.0
   73    70    71    72   0.15000  1.0 3.0
   73    70    71    81   0.56750  1.0 1.0
   73    70    71    81  -0.07550 -1.0 2.0
   73    70    71    81   0.20000  1.0 3.0
   73    70    77    78   0.15000  1.0 3.0
   73    70    77    79   0.15000  1.0 3.0
   73    70    77    80   0.15000  1.0 3.0
   77    70    71    60   0.56750  1.0 1.0
   77    70    71    60  -0.07550 -1.0 2.0
   77    70    71    60   0.20000  1.0 3.0
   77    70    71    72   0.15000  1.0 3.0
   77    70    71    81   0.56750  1.0 1.0
   77    70    71    81  -0.07550 -1.0 2.0
   77    70    71    81   0.20000  1.0 3.0
   77    70    73    74   0.15000  1.0 3.0
   77    70    73    75   0.15000  1.0 3.0
   77    70    73    76   0.15000  1.0 3.0
   63    60    61    62   0.30150 -1.0 2.0
   63    60    61    67   0.60050  1.0 1.0
   63    60    61    67   0.05600 -1.0 2.0
   63    60    61    67   0.26150  1.0 3.0
   63    60    71    70   0.56750  1.0 1.0
   63    60    71    70  -0.07550 -1.0 2.0
   63    60    71    70   0.20000  1.0 3.0
   63    60    71    72   0.15000  1.0 3.0
   63    60    71    81   0.56750  1.0 1.0
   63    60    71    81  -0.07550 -1.0 2.0
   63    60    71    81   0.20000  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    56   0.56750  1.0 1.0
   52    47    49    56  -0.07550 -1.0 2.0
   52    47    49    56   0.20000  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
   33    56    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   56    60    58    59  10.50000 -1.0 2.0
   60    67    61    62  10.50000 -1.0 2.0
   81    39    84    85  10.50000 -1.0 2.0
END
