* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    165    253     477
    1     0 S   NP   _N1_     1    28.65627    96.23108   -23.18567
    2     1 S   H    _HN1     2     1.02951    73.83398    21.52865
    3     1 S   H    _H1_     3     1.02830    38.50745   170.30266
    4     1 S   H    _H2_     4     1.02783   100.89858   -84.61312
    5     1 S   CT   _CA1     5     1.50107   142.20848   124.15984
    6     5 S   HC   _HA1     6     1.09572   105.21869    87.89326
    7     5 S   CO3  _C1_     7     1.53799   112.44685   -32.36982
    8     7 S   O2Z  _O11     8     1.26370   115.00349   -42.77125
    9     7 S   O2Z  _O12     9     1.26239   114.95081   136.41471
   10     5 S   CT   _CB1    10     1.53090   107.43623  -154.10659
   11    10 S   HC   HB11    11     1.09828   109.41144   -49.86121
   12    10 S   HC   HB12    12     1.09814   110.42471    66.75568
   13    10 S   CT   _CG1    13     1.52975   112.58500  -170.86421
   14    13 S   HC   HG11    14     1.09594   110.57114   -64.43214
   15    13 S   HC   HG12    15     1.09666   109.85652    54.78977
   16    13 S   C    _CD1    16     1.51790   112.32274   175.25724
   17    16 S   O    _OE1    17     1.22717   123.33871     3.69565
   18    16 S   N    _N2_    18     1.38611   111.56449  -176.48888
   19    18 S   H    _HN2    19     1.01587   118.94967     1.89403
   20    18 S   CT1  _CA2    20     1.46201   123.47605   178.78921
   21    20 S   HC   _HA2    21     1.09732   109.45190    -2.14147
   22    20 S   C    _C2_    22     1.53483   108.47855  -117.68081
   23    22 S   O    _O2_    23     1.23044   122.34485  -147.95870
   24    20 S   CT   _CB2    32     1.53376   111.34410   119.99999
   25    24 S   HC   HB21    33     1.09437   109.43061    55.91223
   26    24 S   HC   HB22    34     1.09407   109.83883   174.66718
   27    22 S   N    _N3_    24     1.38349   113.59290    39.51444
   28    27 S   H    _HN3    25     1.01611   119.54426    -3.49446
   29    24 S   S    _SG2    35     1.82845   111.17155   -66.25029
   30    27 S   CT   _CA3    26     1.45282   123.15481   177.04488
   31    30 S   HC   HA31    27     1.09551   107.51768   -64.17537
   32    30 S   HC   HA32    28     1.09558   107.96457    52.24336
   33    29 S   CT   _C20    36     1.86179   101.75015   155.23847
   34    30 S   CO3  _C3_    29     1.52942   114.11816   174.23170
   35    34 S   O2Z  _O31    30     1.26372   116.07013    -0.80600
   36    34 S   O2Z  _O32    31     1.26432   114.40929   179.25349
   37    33 S   CT   _C13    37     1.53941   105.20083  -169.57266
   38    37 S   HC   _H35    38     1.09690   111.93588    59.66483
   39    37 S   HC   _H36    39     1.09568   112.98075   -60.68119
   40    33 S   OS   _O27    83     1.44646   111.61188   -50.24107
   41    37 S   CO4  _C10    40     1.51006   109.83118   178.83148
   42    41 S   O    _O22    41     1.23066   120.64841  -125.74849
   43    40 S   CT   _C23    84     1.42065   118.74645   -63.05852
   44    43 S   HC   _H49    85     1.09395   107.61017   170.60374
   45    43 S   HC   _H50    86     1.09213   112.40560    52.07368
   46    43 S   HC   _H51    87     1.09229   111.14180   -72.10790
   47    41 S   CT   _C16    42     1.51914   116.38088    58.48965
   48    47 S   HC   _H40    43     1.09612   105.71358    70.37221
   49    47 S   CT   _C18    44     1.54812   110.77381   -48.91777
   50    49 S   HC   _H42    45     1.09402   108.45622   -84.53899
   51    47 S   CT   _C24    75     1.54654   110.43717  -174.23680
   52    51 S   HC   _H52    76     1.09797   109.50656    65.12851
   53    51 S   HC   _H53    77     1.09793   109.39215   -50.47637
   54    33 S   CT   _C19    46     1.57913   113.55762    70.13676
   55    51 S   CM   _C12    78     1.50137   114.06766  -170.05309
   56    55 S   HC   _H34    79     1.08717   117.25938    59.37004
   57    54 S   CT   _C17    47     1.55570   118.64731    56.76552
   58    57 S   HC   _H41    48     1.09357   109.61165    46.33852
   59    54 S   OS   _O26    70     1.44799   109.86562   -63.32836
   60    55 S   CM   _C11    80     1.33784   124.02670  -121.05097
   61    60 S   HC   _H32    81     1.08466   120.45196  -179.92087
   62    60 S   HC   _H33    82     1.08441   121.58940     0.34605
   63    57 S   CT   _C15    49     1.54515   100.45620   162.52574
   64    63 S   HC   _H39    50     1.09862   108.69043    81.00672
   65    57 S   CT   _C21    66     1.52903   118.80255   -77.79952
   66    65 S   HC   _H43    67     1.09423   112.39362   -48.38358
   67    65 S   HC   _H44    68     1.09580   110.50073  -168.23747
   68    65 S   HC   _H45    69     1.09128   111.71431    73.73528
   69    59 S   CT   _C22    71     1.41636   119.67411   -90.23092
   70    69 S   HC   _H46    72     1.09391   107.75377   169.53285
   71    69 S   HC   _H47    73     1.09080   112.73537    50.62068
   72    69 S   HC   _H48    74     1.09351   110.43670   -73.46307
   73    63 S   CA   _C7_    51     1.51240   117.65044  -155.46649
   74    49 S   OS   _O25    65     1.44491   107.15906   159.59445
   75    73 S   CA   _C4_    52     1.41695   118.72330  -138.00225
   76    75 S   HA   _H29    53     1.08834   119.95971     0.90092
   77    75 S   CA   _C5_    54     1.39849   121.55290  -178.98606
   78    77 S   HA   _H30    55     1.08401   120.88780  -179.85065
   79    77 S   CA   _C8_    56     1.37652   117.65138     0.37168
   80    79 S   CA   _C9_    57     1.37367   121.55508     0.09487
   81    73 S   CA   _C6_    58     1.40379   122.44935    43.87223
   82    81 S   HA   _H31    59     1.08314   122.00153    -0.83345
   83    80 S   OS   _O24    60     1.36135   112.32379   179.69099
   84    83 S   CO   _C14    61     1.44230   100.96257     0.08847
   85    84 S   HC   _H37    62     1.09608   108.66843  -120.98729
   86    84 S   HC   _H38    63     1.09609   108.67271   120.85331
   87    79 S   OS   _O23    64     1.36024   126.01118   179.83687
  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  11   5   4   3
  21   2   1   1  13   6   5   9  11   4   4   2   1   1  14   8
  15   6   9   4   3  15   4   3  13   9   7   2   1   1  13   5
   5   2   1   1   3   2   1   1  10   2   8   4   7   3   8   7
   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    49    54    57    59    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    49    50    54    57    58    63    74    65    59    69    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    54    57    59    51    40    43  
   39    41    42    47    54    40  
   41    42    47    54    40  
   43    44    45    46    41    49    54    57    59  
   42    47    48    49    50    54    74    51    52    53    55  
   47    48    49    51  
   44    45    46    54  
   45    46  
   46  
    0  
   48    49    50    54    57    63    74    59    51    52    53    55    56    60  
   49    50    54    74    51    52    53    55  
   50    54    57    58    63    64    73    74    65    59    69    51    52    53    55  
   54    57    63    74    59    51  
   52    53    55    56    60    61    62    54    74  
   53    55    56    60  
   55    56    60  
   57    58    63    64    73    74    65    66    67    68    59    69    70    71    72  
   56    60    61    62  
   60    61    62  
   58    63    64    73    75    81    74    65    66    67    68    59    69  
   63    64    73    74    65    66    67    68    59  
   69    70    71    72    63    65    74  
   61    62  
   62  
    0  
   64    73    75    76    77    80    81    82    74    65    66    67    68  
   73    75    81    74    65  
   66    67    68    73    74  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   75    76    77    78    79    80    81    82    83    74  
   75    81  
   76    77    78    79    80    81    82    87  
   77    78    79    81  
   78    79    80    81    83    84    87  
   79    80    87  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84    87  
   83  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.316400   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   0.348900   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   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    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    54   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   317.000  1.522
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    74   320.000  1.410
   54    57   268.000  1.529
   54    59   320.000  1.410
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    65   268.000  1.529
   63    64   340.000  1.090
   63    73   317.000  1.510
   63    74   320.000  1.410
   73    75   469.000  1.400
   73    81   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    87   450.000  1.364
   80    81   469.000  1.400
   80    83   450.000  1.364
   81    82   367.000  1.080
   83    84   320.000  1.380
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.380
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   59    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.510
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
   40    43   320.000  1.410
   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    54    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    54    49    58.35000  112.70000
   33    54    57    58.35000  112.70000
   33    54    59    50.00000  109.50000
   33    40    43    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    35.00000  109.50000
   41    47    49    63.00000  111.10000
   41    47    51    63.00000  111.10000
   47    41    42    80.00000  120.40000
   47    49    50    37.50000  110.70000
   47    49    54    58.35000  112.70000
   47    49    74    50.00000  109.50000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    57    58.35000  112.70000
   49    54    59    50.00000  109.50000
   49    74    63    60.00000  109.50000
   54    33    37    58.35000  112.70000
   54    49    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    63    58.35000  112.70000
   54    57    65    58.35000  112.70000
   54    59    69    60.00000  109.50000
   57    63    64    37.50000  110.70000
   57    63    73    70.00000  112.17500
   57    63    74    50.00000  109.50000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   63    57    58    37.50000  110.70000
   63    73    75    70.00000  120.00000
   63    73    81    70.00000  120.00000
   73    63    64    35.00000  109.50000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   73    81    80    63.00000  120.00000
   73    81    82    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    87    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    81    63.00000  120.00000
   79    80    83    70.00000  120.00000
   79    87    84   100.00000  112.36700
   80    81    82    35.00000  120.00000
   80    83    84   100.00000  112.36700
   81    73    75    63.00000  120.00000
   83    80    81    70.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    92.60000  111.55000
   86    84    85    33.00000  109.50000
   87    79    80    70.00000  120.00000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   74    49    50    35.00000  109.50000
   74    49    54    50.00000  109.50000
   74    63    64    35.00000  109.50000
   74    63    73    85.00000  111.85700
   65    57    58    37.50000  110.70000
   65    57    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   59    54    57    50.00000  109.50000
   59    69    70    35.00000  109.50000
   59    69    71    35.00000  109.50000
   59    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   51    55    56    35.00000  117.00000
   51    55    60    70.00000  124.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   60    55    56    35.00000  120.00000
   62    60    61    35.00000  117.00000
   40    33    37    50.00000  109.50000
   40    33    54    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    54    49   0.44750  1.0 1.0
   29    33    54    49  -0.17800 -1.0 2.0
   29    33    54    49   0.20200  1.0 3.0
   29    33    54    57   0.44750  1.0 1.0
   29    33    54    57  -0.17800 -1.0 2.0
   29    33    54    57   0.20200  1.0 3.0
   29    33    54    59   0.56750  1.0 1.0
   29    33    54    59  -0.07550 -1.0 2.0
   29    33    54    59   0.20000  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.60050  1.0 1.0
   33    37    41    47   0.05600 -1.0 2.0
   33    37    41    47   0.26150  1.0 3.0
   33    54    57    58   0.15000  1.0 3.0
   33    54    57    63   0.56750  1.0 1.0
   33    54    57    63  -0.07550 -1.0 2.0
   33    54    57    63   0.20000  1.0 3.0
   33    54    57    65   0.56750  1.0 1.0
   33    54    57    65  -0.07550 -1.0 2.0
   33    54    57    65   0.20000  1.0 3.0
   33    54    59    69   0.06250  1.0 1.0
   33    54    59    69  -0.01100 -1.0 2.0
   33    54    59    69   0.28050  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    45   0.37050  1.0 3.0
   33    40    43    46   0.37050  1.0 3.0
   37    33    54    49   0.56750  1.0 1.0
   37    33    54    49  -0.07550 -1.0 2.0
   37    33    54    49   0.20000  1.0 3.0
   37    33    54    57   0.56750  1.0 1.0
   37    33    54    57  -0.07550 -1.0 2.0
   37    33    54    57   0.20000  1.0 3.0
   37    33    54    59   0.62750  1.0 1.0
   37    33    54    59  -0.30950 -1.0 2.0
   37    33    54    59   0.27300  1.0 3.0
   37    33    40    43   0.06250  1.0 1.0
   37    33    40    43  -0.01100 -1.0 2.0
   37    33    40    43   0.28050  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41   -47    49   0.60050  1.0 1.0
   37    41   -47    49   0.05600 -1.0 2.0
   37    41   -47    49   0.26150  1.0 3.0
   37    41    47    51   0.60050  1.0 1.0
   37    41    47    51   0.05600 -1.0 2.0
   37    41    47    51   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    47    49    50  -0.11250  1.0 3.0
   41    47    49    54  -0.95700  1.0 1.0
   41    47    49    54  -0.18200 -1.0 2.0
   41    47    49    54   0.29450  1.0 3.0
   41    47    49    74  -0.09450  1.0 1.0
   41    47    49    74  -1.12950 -1.0 2.0
   41    47    49    74   0.54000  1.0 3.0
   41    47    51    52  -0.11250  1.0 3.0
   41    47    51    53  -0.11250  1.0 3.0
   41    47    51    55  -0.98800  1.0 1.0
   41    47    51    55   0.48800 -1.0 2.0
   41    47    51    55   0.76800  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.30150 -1.0 2.0
   42    41    47    51   0.30150 -1.0 2.0
   47    49   -54    33   0.56750  1.0 1.0
   47    49   -54    33  -0.07550 -1.0 2.0
   47    49   -54    33   0.20000  1.0 3.0
   47    49    54    57   0.56750  1.0 1.0
   47    49    54    57  -0.07550 -1.0 2.0
   47    49    54    57   0.20000  1.0 3.0
   47    49    54    59   0.62750  1.0 1.0
   47    49    54    59  -0.30950 -1.0 2.0
   47    49    54    59   0.27300  1.0 3.0
   47    49    74    63   0.06250  1.0 1.0
   47    49    74    63  -0.01100 -1.0 2.0
   47    49    74    63   0.28050  1.0 3.0
   47    51    55    56   0.00000  1.0 1.0
   47    51    55    60   0.09850  1.0 1.0
   47    51    55    60   0.15250 -1.0 2.0
   47    51    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    49    74   0.23400  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    55   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    55   0.34400  1.0 1.0
   49    47    51    55   0.09450 -1.0 2.0
   49    47    51    55   0.11100  1.0 3.0
   49    54    57    58   0.15000  1.0 3.0
   49    54   -57    63   0.56750  1.0 1.0
   49    54   -57    63  -0.07550 -1.0 2.0
   49    54   -57    63   0.20000  1.0 3.0
   49    54    57    65   0.56750  1.0 1.0
   49    54    57    65  -0.07550 -1.0 2.0
   49    54    57    65   0.20000  1.0 3.0
   49    54    59    69   0.06250  1.0 1.0
   49    54    59    69  -0.01100 -1.0 2.0
   49    54    59    69   0.28050  1.0 3.0
   50    49    54    33   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   50    49    54    59   0.23400  1.0 3.0
   50    49    74    63   0.37050  1.0 3.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    41  -0.95700  1.0 1.0
   54    33   -37    41  -0.18200 -1.0 2.0
   54    33   -37    41   0.29450  1.0 3.0
   54    33    40    43   0.06250  1.0 1.0
   54    33    40    43  -0.01100 -1.0 2.0
   54    33    40    43   0.28050  1.0 3.0
   54    49   -74    63   0.06250  1.0 1.0
   54    49   -74    63  -0.01100 -1.0 2.0
   54    49   -74    63   0.28050  1.0 3.0
   54    57    63    64   0.15000  1.0 3.0
   54    57    63    73  -0.03700  1.0 1.0
   54    57    63    73   0.37200 -1.0 2.0
   54    57    63    73  -0.47300  1.0 3.0
   54    57   -63    74   0.62750  1.0 1.0
   54    57   -63    74  -0.30950 -1.0 2.0
   54    57   -63    74   0.27300  1.0 3.0
   54    57    65    66   0.15000  1.0 3.0
   54    57    65    67   0.15000  1.0 3.0
   54    57    65    68   0.15000  1.0 3.0
   54    59    69    70   0.37050  1.0 3.0
   54    59    69    71   0.37050  1.0 3.0
   54    59    69    72   0.37050  1.0 3.0
   57    54    59    69   0.06250  1.0 1.0
   57    54    59    69  -0.01100 -1.0 2.0
   57    54    59    69   0.28050  1.0 3.0
   57    63    73    75   0.04150 -1.0 2.0
   57    63    73    81   0.04150 -1.0 2.0
   57    63   -74    49   0.06250  1.0 1.0
   57    63   -74    49  -0.01100 -1.0 2.0
   57    63   -74    49   0.28050  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    73   0.43200  1.0 3.0
   58    57    63    74   0.23400  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.15000  1.0 3.0
   63    57    65    66   0.15000  1.0 3.0
   63    57    65    67   0.15000  1.0 3.0
   63    57    65    68   0.15000  1.0 3.0
   63    73    75    76   3.62500 -1.0 2.0
   63    73    75    77   3.62500 -1.0 2.0
   63    73    81    80   3.62500 -1.0 2.0
   63    73    81    82   3.62500 -1.0 2.0
   64    63    73    75   0.00000  1.0 1.0
   64    63    73    81   0.00000  1.0 1.0
   64    63    74    49   0.37050  1.0 3.0
   73    63    74    49   0.37500  1.0 3.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   75    73    81    80   3.62500 -1.0 2.0
   75    73    81    82   3.62500 -1.0 2.0
   75    77   -79    80   3.62500 -1.0 2.0
   75    77    79    87   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   77    79    80    83   3.62500 -1.0 2.0
   77    79    87    84   1.63200 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    87   3.62500 -1.0 2.0
   79    80   -81    73   3.62500 -1.0 2.0
   79    80    81    82   3.62500 -1.0 2.0
   79    80   -83    84   1.63200 -1.0 2.0
   80    79   -87    84   1.63200 -1.0 2.0
   80    83    84    85   0.08050  1.0 3.0
   80    83    84    86   0.08050  1.0 3.0
   80    83   -84    87  -0.25600  1.0 1.0
   80    83   -84    87  -0.40050 -1.0 2.0
   80    83   -84    87   0.34700  1.0 3.0
   81    73    75    76   3.62500 -1.0 2.0
   81    73   -75    77   3.62500 -1.0 2.0
   81    80    83    84   1.63200 -1.0 2.0
   83    80    81    73   3.62500 -1.0 2.0
   83    80    81    82   3.62500 -1.0 2.0
   83    84   -87    79  -0.25600  1.0 1.0
   83    84   -87    79  -0.40050 -1.0 2.0
   83    84   -87    79   0.34700  1.0 3.0
   85    84    87    79   0.08050  1.0 3.0
   86    84    87    79   0.08050  1.0 3.0
   87    79    80    81   3.62500 -1.0 2.0
   87    79   -80    83   3.62500 -1.0 2.0
   74    49    54    33   0.62750  1.0 1.0
   74    49    54    33  -0.30950 -1.0 2.0
   74    49    54    33   0.27300  1.0 3.0
   74    49   -54    57   0.62750  1.0 1.0
   74    49   -54    57  -0.30950 -1.0 2.0
   74    49   -54    57   0.27300  1.0 3.0
   74    49    54    59   1.11900  1.0 1.0
   74    49    54    59  -1.16350 -1.0 2.0
   74    49    54    59  -0.34150  1.0 3.0
   74    63    73    75   0.64500  1.0 1.0
   74    63    73    75   0.14800 -1.0 2.0
   74    63    73    75   0.20650  1.0 3.0
   74    63    73    81   0.64500  1.0 1.0
   74    63    73    81   0.14800 -1.0 2.0
   74    63    73    81   0.20650  1.0 3.0
   65    57    63    64   0.15000  1.0 3.0
   65    57    63    73  -0.03700  1.0 1.0
   65    57    63    73   0.37200 -1.0 2.0
   65    57    63    73  -0.47300  1.0 3.0
   65    57    63    74   0.62750  1.0 1.0
   65    57    63    74  -0.30950 -1.0 2.0
   65    57    63    74   0.27300  1.0 3.0
   59    54    57    58   0.23400  1.0 3.0
   59    54    57    63   0.62750  1.0 1.0
   59    54    57    63  -0.30950 -1.0 2.0
   59    54    57    63   0.27300  1.0 3.0
   59    54    57    65   0.62750  1.0 1.0
   59    54    57    65  -0.30950 -1.0 2.0
   59    54    57    65   0.27300  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    54   0.56750  1.0 1.0
   51    47    49    54  -0.07550 -1.0 2.0
   51    47    49    54   0.20000  1.0 3.0
   51    47    49    74   0.62750  1.0 1.0
   51    47    49    74  -0.30950 -1.0 2.0
   51    47    49    74   0.27300  1.0 3.0
   51    55    60    61   7.00000 -1.0 2.0
   51    55    60    62   7.00000 -1.0 2.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    60   0.00000  1.0 1.0
   53    51    55    56   0.33100  1.0 3.0
   53    51    55    60   0.00000  1.0 1.0
   56    55    60    61   7.00000 -1.0 2.0
   56    55    60    62   7.00000 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    54    49   0.62750  1.0 1.0
   40    33    54    49  -0.30950 -1.0 2.0
   40    33    54    49   0.27300  1.0 3.0
   40    33    54    57   0.62750  1.0 1.0
   40    33    54    57  -0.30950 -1.0 2.0
   40    33    54    57   0.27300  1.0 3.0
   40    33    54    59   1.11900  1.0 1.0
   40    33    54    59  -1.16350 -1.0 2.0
   40    33    54    59  -0.34150  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   75    81    73    63   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    87    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   80    82    81    73   1.10000 -1.0 2.0
   51    56    55    60  15.00000 -1.0 2.0
   61    62    60    55  15.00000 -1.0 2.0
END
