* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    157    249     470
    1     0 S   NP   _N1_     1    29.14369    96.48328   -20.56077
    2     1 S   H    _HN1     2     1.02777    89.44477   -84.18708
    3     1 S   H    _H1_     3     1.02962    80.45116    24.50183
    4     1 S   H    _H2_     4     1.02832    39.79283   156.32553
    5     1 S   CT   _CA1     5     1.50101   149.62524   138.80817
    6     5 S   HC   _HA1     6     1.09590   105.19387    70.97089
    7     5 S   CO3  _C1_     7     1.53733   112.41827   -49.01505
    8     7 S   O2Z  _O11     8     1.26327   115.00996   -45.12403
    9     7 S   O2Z  _O12     9     1.26248   114.87651   133.99590
   10     5 S   CT   _CB1    10     1.53098   107.40254  -171.37809
   11    10 S   HC   HB11    11     1.09818   109.09370   -53.16830
   12    10 S   HC   HB12    12     1.09816   110.52289    63.32660
   13    10 S   CT   _CG1    13     1.52953   112.66620  -174.41314
   14    13 S   HC   HG11    14     1.09494   110.14641   -67.68023
   15    13 S   HC   HG12    15     1.09659   110.06794    51.51094
   16    13 S   C    _CD1    16     1.51767   112.53097   171.95787
   17    16 S   O    _OE1    17     1.22708   123.29636    -0.70276
   18    16 S   N    _N2_    18     1.38650   111.59182   179.73980
   19    18 S   H    _HN2    19     1.01586   118.98110     0.30132
   20    18 S   CT1  _CA2    20     1.46162   123.31871   177.95742
   21    20 S   HC   _HA2    21     1.09712   109.42457    -9.90919
   22    20 S   C    _C2_    22     1.53552   107.94664  -125.55255
   23    22 S   O    _O2_    23     1.23017   122.20463  -145.92386
   24    20 S   CT   _CB2    32     1.53294   111.86286   112.45517
   25    24 S   HC   HB21    33     1.09487   109.83209    58.64455
   26    24 S   HC   HB22    34     1.09545   110.33811   176.23095
   27    22 S   N    _N3_    24     1.38488   113.44341    41.19212
   28    27 S   H    _HN3    25     1.01527   118.90538    -0.71436
   29    24 S   S    _SG2    35     1.83094   112.56758   -64.60944
   30    27 S   CT   _CA3    26     1.45457   123.68685   175.24379
   31    30 S   HC   HA31    27     1.09500   109.45777    19.28775
   32    30 S   HC   HA32    28     1.09497   107.04147   136.36548
   33    29 S   CT   _C19    36     1.82857    99.42962   136.53032
   34    33 S   HC   _H3_    37     1.09389   107.46754    47.53189
   35    33 S   HC   _H4_    38     1.09551   107.34025   162.34873
   36    30 S   CO3  _C3_    29     1.52906   113.05402  -104.30151
   37    36 S   O2Z  _O31    30     1.26403   115.40396   -43.81004
   38    36 S   O2Z  _O32    31     1.26353   114.96802   137.08312
   39    33 S   CT   _C11    39     1.53092   111.53798   -75.94763
   40    39 S   HC   _H33    40     1.09120   111.95268    28.76829
   41    39 S   CO4  _C5_    41     1.50890   112.30026   -91.60699
   42    41 S   O    _O19    42     1.22104   126.12515    41.92777
   43    41 S   OS   _O21    43     1.36669   109.79487  -139.68023
   44    43 S   CT   _C14    44     1.44699   111.27891    -1.64592
   45    44 S   HC   _H36    45     1.09818   105.55883   134.76217
   46    39 S   CT   _C12    46     1.53161   112.92403   154.80926
   47    46 S   HC   _H34    47     1.10243   106.33341    40.08492
   48    44 S   CT   _C15    65     1.55270   110.25245  -107.93908
   49    46 S   CT   _C9_    48     1.53025   115.62172   -76.70229
   50    49 S   HC   _H29    49     1.09538   110.14665   171.10203
   51    49 S   HC   _H30    50     1.09781   107.44904    57.87115
   52    48 S   CT   _C18    66     1.53646   114.37162    42.87415
   53    52 S   HC   _H40    67     1.08965   112.48400    64.81783
   54    52 S   HC   _H41    68     1.09601   111.51246   -56.08650
   55    52 S   HC   _H42    69     1.09543   111.91595  -174.10688
   56    49 S   CT   _C10    51     1.52452   116.69555   -62.12879
   57    56 S   HC   _H31    52     1.09316   110.62116    42.90566
   58    56 S   HC   _H32    53     1.09947   106.61688   155.96417
   59    56 S   CT   _C13    54     1.54663   116.73293   -84.40966
   60    59 S   HC   _H35    55     1.10126   104.31302   -79.70374
   61    59 S   CT   _C16    56     1.55414   114.89457    36.65820
   62    59 S   CT   _C20    72     1.54529   109.33988   168.26654
   63    62 S   HC   _H45    73     1.09295   111.07441   -69.87118
   64    62 S   HC   _H46    74     1.09444   110.64767   168.56999
   65    61 S   CT   _C8_    57     1.54044   114.44922   165.17725
   66    65 S   HC   _H27    58     1.09526   112.74007    67.64024
   67    65 S   HC   _H28    59     1.09485   112.26554   -54.84046
   68    61 S   OH   _O22    70     1.44611   106.61435   -78.66471
   69    68 S   HO   _H47    71     0.97284   108.27298   -61.19269
   70    62 S   OS   _O23    75     1.44215   109.21513    51.29322
   71    65 S   CT   _C7_    60     1.52298   104.43918  -172.51596
   72    71 S   HC   _H25    61     1.09371   111.71857   -85.24588
   73    71 S   HC   _H26    62     1.09229   111.70608   150.23816
   74    70 S   CO4  _C6_    76     1.36224   116.38084  -160.63882
   75    74 S   O    _O20    77     1.22309   126.33759    -1.53238
   76    71 S   CO4  _C4_    63     1.50737   102.27923    31.31208
   77    76 S   O    _O18    64     1.22628   122.36441   170.10632
   78    74 S   CT   _C17    78     1.49829   109.50084   178.49858
   79    78 S   HC   _H37    79     1.09300   109.80305   -59.53998
   80    78 S   HC   _H38    80     1.09371   109.37579  -178.52900
   81    78 S   HC   _H39    81     1.09279   109.82902    62.33008
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  19   7  12   5  20
   9   5   4  10   4   3   2  11   5   4  14   7  14   8   3   2
   9   6   5   3   1   6   4   3   2   5   4   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    49  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    51    56    48  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    61    76    48    52  
   45    46    47    49    50    51    56    59    61    65    71    76    77    48    52    53    54    55    68  
   46    47    49    61    76    48    52  
   47    49    50    51    56    57    58    59    61    76    48    52  
   49    50    51    56    48  
   52    53    54    55    68    69    62    49    56    59    60    61    65    66    67    71    72    73    76    77  
   50    51    56    57    58    59    60    61    62  
   51    56    57    58    59  
   56    57    58    59  
   53    54    55    68    59    61    65    71    76    77  
   54    55    61    76  
   55    61    76  
   61    76  
   57    58    59    60    61    65    68    62    63    64    70  
   58    59    60    61    62  
   59    60    61    62  
   60    61    65    66    67    71    76    68    69    62    63    64    70    74  
   61    65    68    62    63    64    70  
   65    66    67    71    72    73    76    77    68    69    62    63    64    70  
   63    64    70    74    75    78    65    68  
   64    70    74  
   70    74  
   66    67    71    72    73    76    77    68    69  
   67    71    72    73    76    68  
   71    72    73    76    68  
   69    71    76  
    0  
   74    75    78    79    80    81  
   72    73    76    77  
   73    76    77  
   76    77  
   75    78    79    80    81  
   78    79    80    81  
   77  
    0  
   79    80    81  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   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   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    65   268.000  1.529
   61    48   268.000  1.529
   61    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   317.000  1.522
   76    77   570.000  1.229
   76    48   317.000  1.522
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   68    69   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   320.000  1.410
   70    74   214.000  1.327
   74    75   570.000  1.229
   74    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    49    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    61    58.35000  112.70000
   44    48    76    63.00000  111.10000
   44    48    52    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    48    58.35000  112.70000
   59    61    68    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    70    50.00000  109.50000
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    71    58.35000  112.70000
   61    48    76    63.00000  111.10000
   61    48    52    58.35000  112.70000
   61    68    69    55.00000  108.50000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    63.00000  111.10000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    76    77    80.00000  120.40000
   71    76    48    70.00000  116.00000
   73    71    72    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    35.00000  109.50000
   76    48    52    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    61    65    58.35000  112.70000
   48    76    77    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   68    61    65    50.00000  109.50000
   68    61    48    50.00000  109.50000
   62    59    60    37.50000  110.70000
   62    59    61    58.35000  112.70000
   62    70    74    83.00000  116.90000
   64    62    63    33.00000  107.80000
   70    62    63    35.00000  109.50000
   70    62    64    35.00000  109.50000
   70    74    75    83.00000  123.40000
   70    74    78    81.00000  111.40000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   78    74    75    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    49   0.56750  1.0 1.0
   33    39    46    49  -0.07550 -1.0 2.0
   33    39    46    49   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51   0.15000  1.0 3.0
   39    46    49    56   0.56750  1.0 1.0
   39    46    49    56  -0.07550 -1.0 2.0
   39    46    49    56   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    49  -0.95700  1.0 1.0
   41    39    46    49  -0.18200 -1.0 2.0
   41    39    46    49   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    61   0.62750  1.0 1.0
   43    44    48    61  -0.30950 -1.0 2.0
   43    44    48    61   0.27300  1.0 3.0
   43    44    48    76  -0.09450  1.0 1.0
   43    44    48    76  -1.12950 -1.0 2.0
   43    44    48    76   0.54000  1.0 3.0
   43    44    48    52   0.62750  1.0 1.0
   43    44    48    52  -0.30950 -1.0 2.0
   43    44    48    52   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    56   0.56750  1.0 1.0
   44    46    49    56  -0.07550 -1.0 2.0
   44    46    49    56   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    55   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    61   0.15000  1.0 3.0
   45    44    48    76  -0.11250  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    61   0.56750  1.0 1.0
   46    44    48    61  -0.07550 -1.0 2.0
   46    44    48    61   0.20000  1.0 3.0
   46    44    48    76  -0.95700  1.0 1.0
   46    44    48    76  -0.18200 -1.0 2.0
   46    44    48    76   0.29450  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    49    56    57   0.15000  1.0 3.0
   46    49    56    58   0.15000  1.0 3.0
   46    49    56    59   0.56750  1.0 1.0
   46    49    56    59  -0.07550 -1.0 2.0
   46    49    56    59   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    56   0.15000  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.56750  1.0 1.0
   49    56    59    61  -0.07550 -1.0 2.0
   49    56    59    61   0.20000  1.0 3.0
   49    56    59    62   0.56750  1.0 1.0
   49    56    59    62  -0.07550 -1.0 2.0
   49    56    59    62   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    59   0.15000  1.0 3.0
   56    59    61    65   0.56750  1.0 1.0
   56    59    61    65  -0.07550 -1.0 2.0
   56    59    61    65   0.20000  1.0 3.0
   56    59    61    48   0.56750  1.0 1.0
   56    59    61    48  -0.07550 -1.0 2.0
   56    59    61    48   0.20000  1.0 3.0
   56    59    61    68   0.86500  1.0 1.0
   56    59    61    68  -0.17500 -1.0 2.0
   56    59    61    68   0.20800  1.0 3.0
   56    59    62    63   0.15000  1.0 3.0
   56    59    62    64   0.15000  1.0 3.0
   56    59    62    70   0.62750  1.0 1.0
   56    59    62    70  -0.30950 -1.0 2.0
   56    59    62    70   0.27300  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61    65    67   0.15000  1.0 3.0
   59    61    65    71   0.56750  1.0 1.0
   59    61    65    71  -0.07550 -1.0 2.0
   59    61    65    71   0.20000  1.0 3.0
   59    61    48    44   0.56750  1.0 1.0
   59    61    48    44  -0.07550 -1.0 2.0
   59    61    48    44   0.20000  1.0 3.0
   59    61    48    76  -0.95700  1.0 1.0
   59    61    48    76  -0.18200 -1.0 2.0
   59    61    48    76   0.29450  1.0 3.0
   59    61    48    52   0.56750  1.0 1.0
   59    61    48    52  -0.07550 -1.0 2.0
   59    61    48    52   0.20000  1.0 3.0
   59    61    68    69  -0.11600  1.0 1.0
   59    61    68    69  -0.09450 -1.0 2.0
   59    61    68    69   0.21250  1.0 3.0
   59    62    70    74  -0.25900  1.0 1.0
   59    62    70    74  -0.47000 -1.0 2.0
   59    62    70    74   0.11750  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    48   0.15000  1.0 3.0
   60    59    61    68   0.23400  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    70   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    70   0.62750  1.0 1.0
   61    59    62    70  -0.30950 -1.0 2.0
   61    59    62    70   0.27300  1.0 3.0
   61    65    71    72   0.15000  1.0 3.0
   61    65    71    73   0.15000  1.0 3.0
   61    65   -71    76  -0.95700  1.0 1.0
   61    65   -71    76  -0.18200 -1.0 2.0
   61    65   -71    76   0.29450  1.0 3.0
   61    48    52    53   0.15000  1.0 3.0
   61    48    52    54   0.15000  1.0 3.0
   61    48    52    55   0.15000  1.0 3.0
   65    61    48    44   0.56750  1.0 1.0
   65    61    48    44  -0.07550 -1.0 2.0
   65    61    48    44   0.20000  1.0 3.0
   65    61   -48    76  -0.95700  1.0 1.0
   65    61   -48    76  -0.18200 -1.0 2.0
   65    61   -48    76   0.29450  1.0 3.0
   65    61    48    52   0.56750  1.0 1.0
   65    61    48    52  -0.07550 -1.0 2.0
   65    61    48    52   0.20000  1.0 3.0
   65    61    68    69  -0.11600  1.0 1.0
   65    61    68    69  -0.09450 -1.0 2.0
   65    61    68    69   0.21250  1.0 3.0
   65    71    76    77   0.30150 -1.0 2.0
   65    71   -76    48   0.60050  1.0 1.0
   65    71   -76    48   0.05600 -1.0 2.0
   65    71   -76    48   0.26150  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    76  -0.11250  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    76  -0.11250  1.0 3.0
   71    76    48    44   0.60050  1.0 1.0
   71    76    48    44   0.05600 -1.0 2.0
   71    76    48    44   0.26150  1.0 3.0
   71    76   -48    61   0.60050  1.0 1.0
   71    76   -48    61   0.05600 -1.0 2.0
   71    76   -48    61   0.26150  1.0 3.0
   71    76    48    52   0.60050  1.0 1.0
   71    76    48    52   0.05600 -1.0 2.0
   71    76    48    52   0.26150  1.0 3.0
   72    71    76    77   0.00000  1.0 1.0
   72    71    76    48   0.00000  1.0 1.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    48   0.00000  1.0 1.0
   76    48    52    53  -0.11250  1.0 3.0
   76    48    52    54  -0.11250  1.0 3.0
   76    48    52    55  -0.11250  1.0 3.0
   77    76    48    44   0.30150 -1.0 2.0
   77    76    48    61   0.30150 -1.0 2.0
   77    76    48    52   0.30150 -1.0 2.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    61    65    66   0.15000  1.0 3.0
   48    61    65    67   0.15000  1.0 3.0
   48    61   -65    71   0.56750  1.0 1.0
   48    61   -65    71  -0.07550 -1.0 2.0
   48    61   -65    71   0.20000  1.0 3.0
   48    61    68    69  -0.11600  1.0 1.0
   48    61    68    69  -0.09450 -1.0 2.0
   48    61    68    69   0.21250  1.0 3.0
   68    61    65    66   0.23400  1.0 3.0
   68    61    65    67   0.23400  1.0 3.0
   68    61    65    71   0.86500  1.0 1.0
   68    61    65    71  -0.17500 -1.0 2.0
   68    61    65    71   0.20800  1.0 3.0
   68    61    48    44   0.86500  1.0 1.0
   68    61    48    44  -0.17500 -1.0 2.0
   68    61    48    44   0.20800  1.0 3.0
   68    61    48    76  -0.09450  1.0 1.0
   68    61    48    76  -1.12950 -1.0 2.0
   68    61    48    76   0.54000  1.0 3.0
   68    61    48    52   0.86500  1.0 1.0
   68    61    48    52  -0.17500 -1.0 2.0
   68    61    48    52   0.20800  1.0 3.0
   62    59    61    65   0.56750  1.0 1.0
   62    59    61    65  -0.07550 -1.0 2.0
   62    59    61    65   0.20000  1.0 3.0
   62    59    61    48   0.56750  1.0 1.0
   62    59    61    48  -0.07550 -1.0 2.0
   62    59    61    48   0.20000  1.0 3.0
   62    59    61    68   0.86500  1.0 1.0
   62    59    61    68  -0.17500 -1.0 2.0
   62    59    61    68   0.20800  1.0 3.0
   62    70    74    75   3.00000 -1.0 2.0
   62    70    74    78   1.63150  1.0 1.0
   62    70    74    78   2.92000 -1.0 2.0
   63    62    70    74   0.08050  1.0 3.0
   64    62    70    74   0.08050  1.0 3.0
   70    74    78    79   0.00000  1.0 1.0
   70    74    78    80   0.00000  1.0 1.0
   70    74    78    81   0.00000  1.0 1.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   71    48    76    77  10.50000 -1.0 2.0
   70    78    74    75  10.50000 -1.0 2.0
END
