* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    150    222     438
    1     0 S   NP   _N1_     1    28.69485    98.51022   -22.01557
    2     1 S   H    _HN1     2     1.02776    98.52109   -93.92329
    3     1 S   H    _H1_     3     1.02958    58.71233    12.41397
    4     1 S   H    _H2_     4     1.02835    54.93527   160.14705
    5     1 S   CT   _CA1     5     1.50123   149.17128    89.53338
    6     5 S   HC   _HA1     6     1.09573   105.22706   114.81068
    7     5 S   CO3  _C1_     7     1.53798   112.38774    -5.40802
    8     7 S   O2Z  _O11     8     1.26365   114.99798   -43.40946
    9     7 S   O2Z  _O12     9     1.26238   114.93875   135.75630
   10     5 S   CT   _CB1    10     1.53103   107.42948  -127.24755
   11    10 S   HC   HB11    11     1.09825   109.37139   -50.40931
   12    10 S   HC   HB12    12     1.09817   110.40635    66.16122
   13    10 S   CT   _CG1    13     1.53007   112.65091  -171.48299
   14    13 S   HC   HG11    14     1.09595   110.47437   -63.75226
   15    13 S   HC   HG12    15     1.09655   109.93700    55.44195
   16    13 S   C    _CD1    16     1.51832   112.35504   175.83933
   17    16 S   O    _OE1    17     1.22738   123.31101    -0.68471
   18    16 S   N    _N2_    18     1.38558   111.66410   179.20328
   19    18 S   H    _HN2    19     1.01568   118.95351     5.12155
   20    18 S   CT1  _CA2    20     1.45888   122.96997   178.01298
   21    20 S   HC   _HA2    21     1.09697   109.05252    20.81116
   22    20 S   C    _C2_    22     1.52772   106.40364   -96.56424
   23    22 S   O    _O2_    23     1.23002   122.74036   -35.34965
   24    20 S   CT   _CB2    32     1.53154   112.00676   143.94371
   25    24 S   HC   HB21    33     1.09595   110.14920    52.97894
   26    24 S   HC   HB22    34     1.09517   110.23657   172.16291
   27    22 S   N    _N3_    24     1.38422   112.79181   147.01518
   28    27 S   H    _HN3    25     1.01624   120.35642    -0.40154
   29    24 S   S    _SG2    35     1.82870   110.64710   -67.76766
   30    27 S   CT   _CA3    26     1.45402   122.42416   179.44012
   31    30 S   HC   HA31    27     1.09558   107.52084   -63.78843
   32    30 S   HC   HA32    28     1.09571   107.87448    52.53963
   33    29 S   CT   _C18    36     1.83965   100.00616   164.47127
   34    33 S   HC   _H8_    37     1.09737   106.12499   -55.66797
   35    30 S   CO3  _C3_    29     1.52897   114.40441   174.78605
   36    35 S   O2Z  _O31    30     1.26416   116.02305     6.95954
   37    35 S   O2Z  _O32    31     1.26409   114.50330  -173.48729
   38    33 S   CA   _C7_    38     1.51875   112.29080    63.81602
   39    33 S   CT   _C19    79     1.53603   108.41064  -171.19730
   40    39 S   HC   _H23    80     1.09608   112.43017   -67.55461
   41    39 S   HC   _H24    81     1.09689   110.82269    53.23154
   42    38 S   CA   _C6_    39     1.40816   121.81304    61.45107
   43    42 S   HA   _H12    40     1.08623   118.34301     0.26020
   44    39 S   CO4  _C20    82     1.50900   110.80524   170.86221
   45    44 S   O    _O41    83     1.22686   123.31601   127.09018
   46    44 S   HC   _H25    84     1.10364   115.86414   -55.31870
   47    42 S   CA   _C5_    41     1.40023   121.10252  -179.17599
   48    47 S   CA   _C10    42     1.40190   119.02751    -0.12033
   49    47 S   OS   _O33    74     1.37124   125.04022   179.47029
   50    48 S   CA   _C9_    43     1.39753   120.27643    -3.00348
   51    48 S   OS   _O34    51     1.37425   118.63032   178.78164
   52    49 S   CT   _C4_    75     1.42171   117.22277    -4.99952
   53    52 S   HC   _H9_    76     1.09427   107.74252  -177.17333
   54    52 S   HC   _H10    77     1.09486   111.05761    65.15614
   55    52 S   HC   _H11    78     1.09510   111.23207   -59.40589
   56    38 S   CA   _C8_    44     1.40218   119.33902  -119.40483
   57    56 S   HA   _H13    45     1.08757   120.33809     0.00000
   58    50 S   OS   _O40    46     1.37065   121.90844  -178.42841
   59    51 S   CO   _C11    52     1.44160   111.24847  -104.92823
   60    59 S   HC   _H3_    53     1.09803   108.78733   -64.75440
   61    58 S   CT   _C17    47     1.42801   110.33666    80.81610
   62    61 S   HC   _H20    48     1.09410   107.76321   173.73071
   63    61 S   HC   _H21    49     1.09590   111.33279    55.46980
   64    61 S   HC   _H22    50     1.09481   111.30416   -68.11959
   65    59 S   CT   _C12    54     1.53552   108.08942   177.61747
   66    65 S   HC   _H4_    55     1.09576   110.66910    57.73275
   67    65 S   CT   _C13    56     1.53186   109.49414  -179.76427
   68    67 S   HC   _H5_    57     1.09744   108.20103   -68.30459
   69    65 S   OH   _O39    72     1.43032   109.40109   -58.87910
   70    69 S   HO   _H19    73     0.97297   106.86000  -172.26054
   71    67 S   CT   _C14    58     1.53490   112.15492    51.63097
   72    71 S   HC   _H6_    59     1.09585   109.91588  -172.61959
   73    67 S   OH   _O38    70     1.42488   109.68117   174.84132
   74    73 S   HO   _H18    71     0.97293   107.50098   175.04236
   75    71 S   CT   _C15    60     1.53541   109.85888   -50.84573
   76    75 S   HC   _H7_    61     1.09806   110.18838   -64.03213
   77    71 S   OH   _O37    68     1.42808   110.45374    70.18934
   78    77 S   HO   _H17    69     0.97271   107.36404    46.20664
   79    59 S   OS   _O35    62     1.43435   112.88730    56.23835
   80    75 S   CT   _C16    63     1.52712   112.50975   174.29862
   81    80 S   HC   _H14    64     1.09452   110.87388    51.95356
   82    80 S   HC   _H15    65     1.09449   111.74076   -70.77140
   83    80 S   OH   _O36    66     1.42525   108.68474   170.69862
   84    83 S   HO   _H16    67     0.97553   106.82589  -171.23698
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   7   4   3   9   4   2   1   1  11  12
   6   9  10   3   2   1   1   3   1   4  13   6   3   2   1   1
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    56    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    50    56    57    39    40    41    44    45    46  
   38    42    56    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    50    56    57    58    49    39    40    41    44  
   40    41    44    45    46    42    56  
   41    44    45    46  
   44    45    46  
   43    47    48    50    56    57    51    49    52  
   47    48    56    49  
   45    46  
   46  
    0  
   48    50    56    58    51    59    49    52    53    54    55  
   50    56    57    58    61    51    59    60    65    79    49    52  
   52    53    54    55    50    51  
   56    57    58    61    62    63    64    51    59  
   59    60    65    66    67    75    79    69    56    58  
   53    54    55  
   54    55  
   55  
    0  
   57    58    61  
   58  
   61    62    63    64  
   60    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    56   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   469.000  1.400
   47    49   450.000  1.364
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    56   469.000  1.400
   50    58   450.000  1.364
   56    57   367.000  1.080
   58    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    59   320.000  1.380
   59    60   340.000  1.090
   59    65   250.000  1.527
   59    79   320.000  1.380
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   320.000  1.410
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   320.000  1.410
   75    76   340.000  1.090
   75    79   320.000  1.410
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   553.000  0.945
   77    78   553.000  0.945
   73    74   553.000  0.945
   69    70   553.000  0.945
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    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    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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    56    50    63.00000  120.00000
   38    56    57    35.00000  120.00000
   42    47    48    63.00000  120.00000
   42    47    49    70.00000  120.00000
   47    42    43    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    48    51    70.00000  120.00000
   47    49    52    75.00000  111.00000
   48    50    56    63.00000  120.00000
   48    50    58    70.00000  120.00000
   48    51    59   100.00000  112.36700
   50    56    57    35.00000  120.00000
   50    58    61    75.00000  111.00000
   56    38    42    63.00000  120.00000
   58    50    56    70.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    48    50    70.00000  120.00000
   51    59    60    35.00000  109.50000
   51    59    65    90.00000  108.56700
   51    59    79    92.60000  111.55000
   59    65    66    45.00000  108.72000
   59    65    67    75.00000  109.43000
   59    65    69    90.00000  111.58700
   59    79    75    60.00000  109.50000
   65    59    60    45.00000  112.01100
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    50.00000  109.50000
   65    69    70    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    50.00000  109.50000
   67    73    74    55.00000  108.50000
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    50.00000  109.50000
   71    75    80    58.35000  112.70000
   71    77    78    55.00000  108.50000
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    50.00000  109.50000
   79    59    60    35.00000  109.50000
   79    59    65    90.00000  108.56700
   79    75    76    35.00000  109.50000
   80    75    76    37.50000  110.70000
   80    75    79    50.00000  109.50000
   80    83    84    55.00000  108.50000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   77    71    72    35.00000  109.50000
   77    71    75    50.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    71    50.00000  109.50000
   69    65    66    35.00000  109.50000
   69    65    67    50.00000  109.50000
   49    47    48    70.00000  120.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    46    35.00000  115.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    35.00000  123.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    56    50   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    46   0.74550  1.0 1.0
   33    39    44    46  -0.00500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   42    38    56    50   3.62500 -1.0 2.0
   42    38    56    57   3.62500 -1.0 2.0
   42    47   -48    50   3.62500 -1.0 2.0
   42    47    48    51   3.62500 -1.0 2.0
   42    47    49    52   1.63200 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    48    50    56   3.62500 -1.0 2.0
   47    48    50    58   3.62500 -1.0 2.0
   47    48    51    59   1.63200 -1.0 2.0
   47    49    52    53   0.08050  1.0 3.0
   47    49    52    54   0.08050  1.0 3.0
   47    49    52    55   0.08050  1.0 3.0
   48    47    49    52   1.63200 -1.0 2.0
   48    50   -56    38   3.62500 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   48    50    58    61   1.63200 -1.0 2.0
   48    51    59    60   0.08050  1.0 3.0
   48    51    59    65  -0.32850  1.0 1.0
   48    51    59    65  -0.35800 -1.0 2.0
   48    51    59    65   0.33950  1.0 3.0
   48    51    59    79  -0.25600  1.0 1.0
   48    51    59    79  -0.40050 -1.0 2.0
   48    51    59    79   0.34700  1.0 3.0
   50    48    51    59   1.63200 -1.0 2.0
   50    58    61    62   0.08050  1.0 3.0
   50    58    61    63   0.08050  1.0 3.0
   50    58    61    64   0.08050  1.0 3.0
   56    38    42    43   3.62500 -1.0 2.0
   56    38   -42    47   3.62500 -1.0 2.0
   56    50    58    61   1.63200 -1.0 2.0
   58    50    56    38   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   51    48    50    56   3.62500 -1.0 2.0
   51    48    50    58   3.62500 -1.0 2.0
   51    59    65    66   0.23400  1.0 3.0
   51    59    65    67   0.62750  1.0 1.0
   51    59    65    67  -0.30950 -1.0 2.0
   51    59    65    67   0.27300  1.0 3.0
   51    59    65    69   3.69350  1.0 1.0
   51    59    65    69  -1.82950 -1.0 2.0
   51    59    79    75  -0.81800  1.0 1.0
   59    65    67    68   0.15000  1.0 3.0
   59    65    67    71   3.97050  1.0 1.0
   59    65    67    73   0.86500  1.0 1.0
   59    65    67    73  -0.17500 -1.0 2.0
   59    65    67    73   0.20800  1.0 3.0
   59    65    69    70  -0.11600  1.0 1.0
   59    65    69    70  -0.09450 -1.0 2.0
   59    65    69    70   0.21250  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    69   0.23400  1.0 3.0
   60    59    79    75   0.37050  1.0 3.0
   65    59    79    75   0.06250  1.0 1.0
   65    59    79    75  -0.01100 -1.0 2.0
   65    59    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77   0.86500  1.0 1.0
   65    67    71    77  -0.17500 -1.0 2.0
   65    67    71    77   0.20800  1.0 3.0
   65    67    73    74  -0.11600  1.0 1.0
   65    67    73    74  -0.09450 -1.0 2.0
   65    67    73    74   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70  -0.11600  1.0 1.0
   67    65    69    70  -0.09450 -1.0 2.0
   67    65    69    70   0.21250  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78  -0.11600  1.0 1.0
   67    71    77    78  -0.09450 -1.0 2.0
   67    71    77    78   0.21250  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74  -0.11600  1.0 1.0
   71    67    73    74  -0.09450 -1.0 2.0
   71    67    73    74   0.21250  1.0 3.0
   71    75   -79    59   0.06250  1.0 1.0
   71    75   -79    59  -0.01100 -1.0 2.0
   71    75   -79    59   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83   0.86500  1.0 1.0
   71    75    80    83  -0.17500 -1.0 2.0
   71    75    80    83   0.20800  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78  -0.11600  1.0 1.0
   75    71    77    78  -0.09450 -1.0 2.0
   75    71    77    78   0.21250  1.0 3.0
   75    80    83    84  -0.11600  1.0 1.0
   75    80    83    84  -0.09450 -1.0 2.0
   75    80    83    84   0.21250  1.0 3.0
   76    75    79    59   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    59    65    66   0.23400  1.0 3.0
   79    59   -65    67   0.62750  1.0 1.0
   79    59   -65    67  -0.30950 -1.0 2.0
   79    59   -65    67   0.27300  1.0 3.0
   79    59    65    69   3.69350  1.0 1.0
   79    59    65    69  -1.82950 -1.0 2.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   3.69350  1.0 1.0
   79    75    80    83  -1.82950 -1.0 2.0
   80    75    79    59   0.06250  1.0 1.0
   80    75    79    59  -0.01100 -1.0 2.0
   80    75    79    59   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   3.69350  1.0 1.0
   77    71    75    79  -1.82950 -1.0 2.0
   77    71    75    80   0.86500  1.0 1.0
   77    71    75    80  -0.17500 -1.0 2.0
   77    71    75    80   0.20800  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   0.86500  1.0 1.0
   73    67    71    75  -0.17500 -1.0 2.0
   73    67    71    75   0.20800  1.0 3.0
   73    67    71    77   3.75450  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71   0.86500  1.0 1.0
   69    65    67    71  -0.17500 -1.0 2.0
   69    65    67    71   0.20800  1.0 3.0
   69    65    67    73   3.75450  1.0 1.0
   49    47    48    50   3.62500 -1.0 2.0
   49    47    48    51   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    56    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   48    49    47    42   4.00000 -1.0 2.0
   50    51    48    47   4.00000 -1.0 2.0
   56    58    50    48   4.00000 -1.0 2.0
   50    57    56    38   1.10000 -1.0 2.0
   39    46    44    45  10.50000 -1.0 2.0
END
