* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    150    210     432
    1     0 S   NP   _N1_     1    29.01758    95.00210   -23.46991
    2     1 S   H    _HN1     2     1.02838    34.06746  -173.66460
    3     1 S   H    _H1_     3     1.02777   102.88142   -70.69546
    4     1 S   H    _H2_     4     1.02960    77.16663    35.48708
    5     1 S   CT   _CA1     5     1.50121   138.40164   141.84097
    6     5 S   HC   _HA1     6     1.09576   105.22470    83.97461
    7     5 S   CO3  _C1_     7     1.53778   112.37855   -36.20988
    8     7 S   O2Z  _O11     8     1.26358   114.99941   -44.03506
    9     7 S   O2Z  _O12     9     1.26238   114.91315   135.11773
   10     5 S   CT   _CB1    10     1.53096   107.42998  -158.14281
   11    10 S   HC   HB11    11     1.09826   109.29327   -51.00864
   12    10 S   HC   HB12    12     1.09818   110.43081    65.52504
   13    10 S   CT   _CG1    13     1.53019   112.69502  -172.11972
   14    13 S   HC   HG11    14     1.09595   110.44929   -64.37835
   15    13 S   HC   HG12    15     1.09655   109.96887    54.84337
   16    13 S   C    _CD1    16     1.51822   112.31746   175.16398
   17    16 S   O    _OE1    17     1.22730   123.26418    -1.44049
   18    16 S   N    _N2_    18     1.38639   111.67187   178.82680
   19    18 S   H    _HN2    19     1.01583   119.05135     1.13815
   20    18 S   CT1  _CA2    20     1.46104   123.31709   179.48074
   21    20 S   HC   _HA2    21     1.09754   109.37227    -5.03672
   22    20 S   C    _C2_    22     1.53446   108.24780  -120.30311
   23    22 S   O    _O2_    23     1.23012   122.34209  -141.88148
   24    20 S   CT   _CB2    32     1.53388   111.80645   116.83509
   25    24 S   HC   HB21    33     1.09525   110.39731    55.26103
   26    24 S   HC   HB22    34     1.09408   109.46552   173.86081
   27    22 S   N    _N3_    24     1.38533   113.22888    45.41214
   28    27 S   H    _HN3    25     1.01489   118.82349    -0.90633
   29    24 S   S    _SG2    35     1.82935   111.47425   -65.30766
   30    27 S   CT   _CA3    26     1.45475   123.57738   174.56646
   31    30 S   HC   HA31    27     1.09516   109.39163    20.45191
   32    30 S   HC   HA32    28     1.09507   106.68150   137.58112
   33    29 S   CT   _C19    36     1.85732   100.51235  -148.74513
   34    33 S   HC   _H3_    37     1.09442   105.72739    33.56081
   35    30 S   CO3  _C3_    29     1.53081   114.56440  -102.24958
   36    35 S   O2Z  _O31    30     1.26262   116.49285    -2.53188
   37    35 S   O2Z  _O32    31     1.26522   114.15965   177.98297
   38    33 S   CT   _C18    38     1.55089   108.78180   149.28249
   39    38 S   HC   _H47    39     1.09731   109.86881    63.74625
   40    38 S   HC   _H48    40     1.09541   109.26661   179.21416
   41    33 S   CT   _C20    71     1.56854   112.33567   -84.28009
   42    38 S   CT   _C16    41     1.54328   116.61045   -58.96911
   43    42 S   HC   _H43    42     1.09825   108.37075  -176.75828
   44    42 S   HC   _H44    43     1.09689   109.60327    69.66748
   45    41 S   CT   _C12    72     1.53876   113.30965   -58.39252
   46    45 S   HC   _H33    73     1.09451   112.04802    61.31538
   47    45 S   HC   _H34    74     1.09386   112.12401   -61.34965
   48    45 S   HC   _H35    75     1.09704   110.47728   178.37767
   49    41 S   CT   _C17    76     1.55247   113.57786   178.31101
   50    49 S   HC   _H45    77     1.09599   110.47554    68.37372
   51    49 S   HC   _H46    78     1.09857   108.68683  -175.39661
   52    41 S   OH   _O19    83     1.43663   109.30300    59.45585
   53    52 S   HO   _H50    84     0.97165   108.31851    52.07904
   54    42 S   CM   _C7_    44     1.51646   114.88848   -55.54933
   55    49 S   CT   _C11    79     1.52495   115.37683   -55.73577
   56    55 S   HC   _H30    80     1.09373   111.64477   -58.83319
   57    55 S   HC   _H31    81     1.09514   109.73398  -177.91898
   58    55 S   HC   _H32    82     1.09233   111.82791    62.99066
   59    54 S   CM   _C5_    45     1.34746   119.94803   108.52078
   60    59 S   HC   _H23    46     1.08938   118.24075    -0.50668
   61    54 S   CT   _C10    67     1.50361   115.58111   -72.02817
   62    61 S   HC   _H27    68     1.09488   109.98740   -63.87522
   63    61 S   HC   _H28    69     1.09246   113.35862   175.49607
   64    61 S   HC   _H29    70     1.09362   110.68449    55.66026
   65    59 S   CT   _C14    47     1.50242   127.85579  -179.91607
   66    65 S   HC   _H39    48     1.09765   107.98822  -143.57662
   67    65 S   HC   _H40    49     1.09472   111.36501   -27.96626
   68    65 S   CT   _C15    50     1.53214   110.69414    95.93483
   69    68 S   HC   _H41    51     1.09806   109.99709   -65.45560
   70    68 S   HC   _H42    52     1.09748   109.07453    50.03898
   71    68 S   CM   _C6_    53     1.51670   112.82083   172.72479
   72    71 S   CM   _C4_    54     1.34622   119.32649  -115.73502
   73    72 S   HC   _H22    55     1.08751   119.67960    -0.66969
   74    71 S   CT   _C9_    63     1.50428   115.30709    66.28207
   75    74 S   HC   _H24    64     1.09429   110.39143   -82.14143
   76    74 S   HC   _H25    65     1.09573   110.31561    37.44332
   77    74 S   HC   _H26    66     1.09265   113.00709   155.89108
   78    72 S   CO4  _C8_    56     1.48105   125.33607   178.01959
   79    78 S   O    _O18    57     1.21976   125.93793   -22.99153
   80    78 S   OS   _O20    58     1.35970   107.25148   157.63763
   81    80 S   CT   _C13    59     1.43006   115.34798   178.12007
   82    81 S   HC   _H36    60     1.09328   108.12515   179.66662
   83    81 S   HC   _H37    61     1.09423   110.32275    60.94456
   84    81 S   HC   _H38    62     1.09421   110.24485   -61.64231
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  12   6   5  14  10   4   3   9   4   3   2
   8   6   5   2   1  10   3   2   1   1  12   5   4   2   1   1
   8   5   4  10   4   3   9   9   4   4   2   1   1   6   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    54    41    45    46    47    48    49    50    51    55    52    53  
   38    39    40    42    41    45    49    52  
   36    37  
   37  
    0  
   39    40    42    43    44    54    59    61    41    45    49    52  
   40    42    43    44    54    41  
   42    43    44    54    41  
   45    46    47    48    49    50    51    55    56    57    58    52    53    42  
   43    44    54    59    60    65    61    62    63    64  
   44    54    59    61  
   54    59    61  
   46    47    48    49    50    51    55    52    53  
   47    48    49    52  
   48    49    52  
   49    52  
   50    51    55    56    57    58    52    53  
   51    55    56    57    58    52  
   55    56    57    58    52  
   53    55  
    0  
   59    60    65    66    67    68    61    62    63    64  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    69    70    71    61    62    63    64  
   65    66    67    68    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    78    74    75    76    77  
   70    71    72    74  
   71    72    74  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    81    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    54   317.000  1.510
   54    59   549.000  1.340
   54    61   317.000  1.510
   59    60   340.000  1.080
   59    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   549.000  1.340
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   320.000  1.462
   78    79   570.000  1.229
   78    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    52   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    52    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    54    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    54    59    70.00000  124.00000
   42    54    61    65.00000  117.92700
   44    42    43    33.00000  107.80000
   54    42    43    35.00000  109.50000
   54    42    44    35.00000  109.50000
   54    59    60    35.00000  120.00000
   54    59    65    70.00000  124.00000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    70.00000  112.02700
   65    59    60    35.00000  117.00000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    70.00000  124.00000
   68    71    74    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    78    65.00000  118.96000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    80.00000  123.72100
   72    78    80    90.00000  111.29400
   78    72    73    40.00000  117.72500
   78    80    81    83.00000  116.90000
   80    78    79    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    54    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    55    58.35000  112.70000
   41    52    53    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    41    45    50.00000  109.50000
   52    41    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   29    33    41    52   0.56750  1.0 1.0
   29    33    41    52  -0.07550 -1.0 2.0
   29    33    41    52   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    54   0.34400  1.0 1.0
   33    38    42    54   0.09450 -1.0 2.0
   33    38    42    54   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    55   0.56750  1.0 1.0
   33    41    49    55  -0.07550 -1.0 2.0
   33    41    49    55   0.20000  1.0 3.0
   33    41    52    53  -0.11600  1.0 1.0
   33    41    52    53  -0.09450 -1.0 2.0
   33    41    52    53   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.15000  1.0 3.0
   34    33    41    52   0.23400  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   38    33    41    52   0.86500  1.0 1.0
   38    33    41    52  -0.17500 -1.0 2.0
   38    33    41    52   0.20800  1.0 3.0
   38    42    54    59   0.09850  1.0 1.0
   38    42    54    59   0.15250 -1.0 2.0
   38    42    54    59  -0.50650  1.0 3.0
   38    42    54    61   0.46850  1.0 1.0
   38    42    54    61   0.08550 -1.0 2.0
   38    42    54    61   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    54   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    54   0.15000  1.0 3.0
   42    54    59    60   7.00000 -1.0 2.0
   42    54    59    65   7.00000 -1.0 2.0
   42    54    61    62   0.34800  1.0 3.0
   42    54    61    63   0.34800  1.0 3.0
   42    54    61    64   0.34800  1.0 3.0
   43    42    54    59   0.00000  1.0 1.0
   43    42    54    61   0.34800  1.0 3.0
   44    42    54    59   0.00000  1.0 1.0
   44    42    54    61   0.34800  1.0 3.0
   54    59    65    66   0.00000  1.0 1.0
   54    59    65    67   0.00000  1.0 1.0
   54    59    65    68   0.09850  1.0 1.0
   54    59    65    68   0.15250 -1.0 2.0
   54    59    65    68  -0.50650  1.0 3.0
   59    54    61    62   0.00000  1.0 1.0
   59    54    61    63   0.00000  1.0 1.0
   59    54    61    64   0.00000  1.0 1.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    71   0.31000  1.0 1.0
   59    65    68    71   0.14700 -1.0 2.0
   59    65    68    71   0.07550  1.0 3.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    67   0.33100  1.0 3.0
   60    59    65    68   0.00000  1.0 1.0
   65    68    71    72   0.09850  1.0 1.0
   65    68    71    72   0.15250 -1.0 2.0
   65    68    71    72  -0.50650  1.0 3.0
   65    68    71    74   0.46850  1.0 1.0
   65    68    71    74   0.08550 -1.0 2.0
   65    68    71    74   0.09800  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    72    73   7.00000 -1.0 2.0
   68    71    72    78   7.00000 -1.0 2.0
   68    71    74    75   0.34800  1.0 3.0
   68    71    74    76   0.34800  1.0 3.0
   68    71    74    77   0.34800  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    74   0.34800  1.0 3.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    74   0.34800  1.0 3.0
   71    72    78    79   1.00000 -1.0 2.0
   71    72    78    80  -0.56150  1.0 1.0
   71    72    78    80   2.19150 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81   2.00000 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   1.63100 -1.0 2.0
   78    80    81    82   0.08050  1.0 3.0
   78    80    81    83   0.08050  1.0 3.0
   78    80    81    84   0.08050  1.0 3.0
   79    78    80    81   3.00000 -1.0 2.0
   74    71    72    73   7.00000 -1.0 2.0
   74    71    72    78   7.00000 -1.0 2.0
   61    54    59    60   7.00000 -1.0 2.0
   61    54    59    65   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   41    49    55    56   0.15000  1.0 3.0
   41    49    55    57   0.15000  1.0 3.0
   41    49    55    58   0.15000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    55   0.56750  1.0 1.0
   45    41    49    55  -0.07550 -1.0 2.0
   45    41    49    55   0.20000  1.0 3.0
   45    41    52    53  -0.11600  1.0 1.0
   45    41    52    53  -0.09450 -1.0 2.0
   45    41    52    53   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    52    53  -0.11600  1.0 1.0
   49    41    52    53  -0.09450 -1.0 2.0
   49    41    52    53   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    58   0.15000  1.0 3.0
   52    41    45    46   0.23400  1.0 3.0
   52    41    45    47   0.23400  1.0 3.0
   52    41    45    48   0.23400  1.0 3.0
   52    41    49    50   0.23400  1.0 3.0
   52    41    49    51   0.23400  1.0 3.0
   52    41    49    55   0.86500  1.0 1.0
   52    41    49    55  -0.17500 -1.0 2.0
   52    41    49    55   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   42    61    54    59  15.00000 -1.0 2.0
   65    60    59    54  15.00000 -1.0 2.0
   68    74    71    72  15.00000 -1.0 2.0
   78    73    72    71  15.00000 -1.0 2.0
   72    80    78    79  10.50000 -1.0 2.0
END
