* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    159    248     461
    1     0 S   NP   _N1_     1    28.86371    98.29666   -20.61264
    2     1 S   H    _HN1     2     1.02948    66.68863    15.74075
    3     1 S   H    _H1_     3     1.02827    53.24875   151.87134
    4     1 S   H    _H2_     4     1.02783    89.02104   -94.78188
    5     1 S   CT   _CA1     5     1.50157   157.67642   102.83983
    6     5 S   HC   _HA1     6     1.09570   105.15830    99.61732
    7     5 S   CO3  _C1_     7     1.53777   112.36716   -20.55319
    8     7 S   O2Z  _O11     8     1.26389   115.00142   -42.20178
    9     7 S   O2Z  _O12     9     1.26220   114.97556   136.74503
   10     5 S   CT   _CB1    10     1.53063   107.38069  -142.40136
   11    10 S   HC   HB11    11     1.09831   109.35532   -48.53882
   12    10 S   HC   HB12    12     1.09814   110.46516    68.08059
   13    10 S   CT   _CG1    13     1.52984   112.65866  -169.49399
   14    13 S   HC   HG11    14     1.09541   110.63375   -65.27747
   15    13 S   HC   HG12    15     1.09669   109.84512    53.90171
   16    13 S   C    _CD1    16     1.51834   112.18707   174.11490
   17    16 S   O    _OE1    17     1.22745   123.28023     2.91672
   18    16 S   N    _N2_    18     1.38578   111.65400  -176.72236
   19    18 S   H    _HN2    19     1.01598   118.96434     0.37534
   20    18 S   CT1  _CA2    20     1.46242   123.53759   178.59291
   21    20 S   HC   _HA2    21     1.09733   109.35328     0.91621
   22    20 S   C    _C2_    22     1.53482   108.83072  -114.65468
   23    22 S   O    _O2_    23     1.23068   122.27282  -149.73883
   24    20 S   CT   _CB2    32     1.53246   111.24557   122.87311
   25    24 S   HC   HB21    33     1.09520   109.84825    56.99949
   26    24 S   HC   HB22    34     1.09510   110.80696   175.42842
   27    22 S   N    _N3_    24     1.38348   113.72523    37.89442
   28    27 S   H    _HN3    25     1.01596   119.50146    -3.71594
   29    24 S   S    _SG2    35     1.82863   111.12792   -65.51575
   30    27 S   CT   _CA3    26     1.45269   123.17313   176.98020
   31    30 S   HC   HA31    27     1.09551   107.55255   -63.58127
   32    30 S   HC   HA32    28     1.09560   107.92068    52.82339
   33    29 S   CT   _C17    36     1.89265    99.65514   146.21352
   34    33 S   HC   _H6_    37     1.09864   105.02473    36.49561
   35    30 S   CO3  _C3_    29     1.52941   114.14406   174.83286
   36    35 S   O2Z  _O31    30     1.26364   116.10164     0.69802
   37    35 S   O2Z  _O32    31     1.26433   114.39860  -179.26832
   38    33 S   CT   _C16    38     1.58439   104.79102   -79.96781
   39    38 S   OM   _O36    39     1.32353   109.35997   152.82071
   40    38 S   HC   _H5_    40     1.10064   106.80669    28.39012
   41    38 S   CT   _C15    41     1.56014   113.55353   -85.46255
   42    41 S   HC   _H4_    42     1.10034   109.57788  -165.24428
   43    41 S   CT   _C14    43     1.53138   113.12252   -43.32207
   44    43 S   HC   _H14    44     1.09544   108.86623   -69.82403
   45    43 S   HC   _H15    45     1.09658   110.12299   174.78752
   46    41 S   OS   _O37    77     1.44053   107.64587    77.84196
   47    43 S   CT   _C13    46     1.53637   111.80605    54.49875
   48    47 S   HC   _H3_    47     1.09926   107.39605    65.10417
   49    46 S   CT   _C18    78     1.42066   113.72126   152.56146
   50    49 S   HC   _H16    79     1.09330   108.05296  -179.62675
   51    49 S   HC   _H17    80     1.09268   111.33290    61.56667
   52    49 S   HC   _H18    81     1.09399   110.43617   -61.18553
   53    33 S   CT   _C12    48     1.58204   109.80637   152.27080
   54    47 S   NTH0 _N4_    59     1.47968   110.15000  -174.68762
   55    53 S   CA   _C7_    49     1.56361   114.77515   -43.32414
   56    54 S   CT   _C20    60     1.48323   105.12900    80.10206
   57    56 S   HC   _H21    61     1.09647   108.96341   -95.43510
   58    56 S   HC   _H22    62     1.09662   111.94142   147.24514
   59    55 S   CA   _C8_    50     1.40274   122.06433   -36.00538
   60    59 S   HA   _H11    51     1.08436   121.92842     1.03609
   61    53 S   CT   _C21    63     1.56295   119.06567  -163.07563
   62    61 S   HC   _H7_    64     1.09728   111.89519    93.42141
   63    59 S   CA   _C9_    52     1.37952   118.36461  -178.89076
   64    61 S   OH   _O38    65     1.41208   115.15935   -27.47943
   65    64 S   HO   _H23    66     0.97152   108.13450  -177.08691
   66    63 S   CA   _C10    53     1.37911   122.60667     1.68934
   67    66 S   CA   _C5_    54     1.38480   121.30192     1.32530
   68    66 S   OS   _O34    72     1.36310   110.99454  -179.94766
   69    55 S   CA   _C6_    55     1.42712   118.65976   150.31949
   70    67 S   OS   _O33    67     1.36671   127.13808   178.44417
   71    68 S   CO   _C11    73     1.43811   102.01605     0.22029
   72    71 S   HC   _H12    74     1.09596   108.69920  -121.59772
   73    71 S   HC   _H13    75     1.09606   108.73332   120.27631
   74    69 S   CT   _C19    56     1.52077   118.79747     1.35869
   75    74 S   HC   _H19    57     1.09727   109.86484   132.33885
   76    74 S   HC   _H20    58     1.09774   108.28240  -111.59594
   77    70 S   CT   _C4_    68     1.41997   118.41020     3.53014
   78    77 S   HC   _H8_    69     1.09449   107.62513   177.63752
   79    77 S   HC   _H9_    70     1.09464   111.30753    60.22268
   80    77 S   HC   _H10    71     1.09445   111.12393   -65.06910
   81    63 S   OS   _O35    76     1.36282   124.46540  -178.62769
  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  13   6   5  13   6  12   6   5   5  15   6
   3   2   1   1  15  12  15  10   5   4  10   4   5   2   9   1
   1  10  12   6   5   5   3   2   1   2   1   1   3   2   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    53    55    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    53    55    59    69    54    56    61    62    64    46  
   38    39    40    41    47    53    55    61  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    53    55    61    46    49  
   40    41    42    43    53    46  
   41    42    43    53    46  
   42    43    44    45    47    48    53    54    46    49    50    51    52  
   43    44    45    47    46    49  
   44    45    47    48    53    55    74    54    56    61    46    49  
   45    47    48    53    54    46  
   47    48    53    54    46  
   49    50    51    52    47  
   48    53    55    59    69    74    75    76    54    56    57    58    61    62    64  
   53    55    74    54    56    61  
   50    51    52  
   51    52  
   52  
    0  
   55    59    60    63    67    69    74    54    56    57    58    61    62    64    65  
   56    57    58    61    62    64    55    67    69    74    75    76  
   59    60    63    66    67    69    74    75    76    56    61    62    64    70    81  
   57    58    61    62    64    65    69    74    75    76  
   58    61    62    64    74  
   61    62    64    74  
   60    63    66    67    69    74    61    68    71    81  
   63    66    69    81  
   62    64    65    69    74  
   64    65  
   66    67    69    70    68    71    72    73    81  
   65  
    0  
   67    69    74    70    77    68    71    72    73    81  
   69    74    75    76    70    77    78    79    80    68    71    81  
   71    72    73    81    69    70  
   74    75    76    70    77  
   77    78    79    80    74  
   72    73    81  
   73    81  
   81  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    53   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    54   310.000  1.447
   53    55   317.000  1.510
   53    61   268.000  1.529
   55    59   469.000  1.400
   55    69   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   469.000  1.400
   63    81   450.000  1.364
   66    67   469.000  1.400
   66    68   450.000  1.364
   67    69   469.000  1.400
   67    70   450.000  1.364
   69    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    54   310.000  1.447
   54    56   310.000  1.447
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    64   320.000  1.410
   64    65   553.000  0.945
   70    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   68    71   320.000  1.380
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    81   320.000  1.380
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    47    58.35000  112.70000
   33    53    55    70.00000  112.17500
   33    53    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    49    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    53    58.35000  112.70000
   43    47    54    75.00000  113.73300
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    53    55    70.00000  112.17500
   47    53    61    58.35000  112.70000
   47    54    74    80.00000  110.40700
   47    54    56    80.00000  110.40700
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    55    59    70.00000  120.00000
   53    55    69    70.00000  120.00000
   53    61    56    58.35000  112.70000
   53    61    62    37.50000  110.70000
   53    61    64    50.00000  109.50000
   55    59    60    35.00000  120.00000
   55    59    63    63.00000  120.00000
   55    69    67    63.00000  120.00000
   55    69    74    70.00000  120.00000
   59    63    66    63.00000  120.00000
   59    63    81    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    67    63.00000  120.00000
   63    66    68    70.00000  120.00000
   63    81    71   100.00000  112.36700
   66    67    69    63.00000  120.00000
   66    67    70    70.00000  120.00000
   66    68    71   100.00000  112.36700
   67    69    74    70.00000  120.00000
   67    70    77    75.00000  111.00000
   69    55    59    63.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    54    75.00000  112.33000
   74    54    56    80.00000  110.40700
   76    74    75    33.00000  107.80000
   54    47    48    50.00000  110.15500
   54    47    53    75.00000  113.73300
   54    74    75    50.00000  110.15500
   54    74    76    50.00000  110.15500
   54    56    57    50.00000  110.15500
   54    56    58    50.00000  110.15500
   54    56    61    75.00000  113.73300
   56    61    62    37.50000  110.70000
   56    61    64    50.00000  109.50000
   58    56    57    33.00000  107.80000
   61    53    55    70.00000  112.17500
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    55.00000  108.50000
   64    61    62    35.00000  109.50000
   70    67    69    70.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   68    66    67    70.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    81    92.60000  111.55000
   73    71    72    33.00000  109.50000
   81    63    66    70.00000  120.00000
   81    71    72    35.00000  109.50000
   81    71    73    35.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    55   0.56750  1.0 1.0
   29    33    53    55  -0.07550 -1.0 2.0
   29    33    53    55   0.20000  1.0 3.0
   29    33    53    61   0.44750  1.0 1.0
   29    33    53    61  -0.17800 -1.0 2.0
   29    33    53    61   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.62750  1.0 1.0
   33    38    41    46  -0.30950 -1.0 2.0
   33    38    41    46   0.27300  1.0 3.0
   33    53    55    59   0.04150 -1.0 2.0
   33    53    55    69   0.04150 -1.0 2.0
   33    53    61    56   0.56750  1.0 1.0
   33    53    61    56  -0.07550 -1.0 2.0
   33    53    61    56   0.20000  1.0 3.0
   33    53    61    62   0.15000  1.0 3.0
   33    53    61    64   0.86500  1.0 1.0
   33    53    61    64  -0.17500 -1.0 2.0
   33    53    61    64   0.20800  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    47   0.15000  1.0 3.0
   34    33    53    55   0.43200  1.0 3.0
   34    33    53    61   0.15000  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    55  -0.03700  1.0 1.0
   38    33    53    55   0.37200 -1.0 2.0
   38    33    53    55  -0.47300  1.0 3.0
   38    33    53    61   0.56750  1.0 1.0
   38    33    53    61  -0.07550 -1.0 2.0
   38    33    53    61   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    46    49   0.06250  1.0 1.0
   38    41    46    49  -0.01100 -1.0 2.0
   38    41    46    49   0.28050  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53   0.56750  1.0 1.0
   41    43    47    53  -0.07550 -1.0 2.0
   41    43    47    53   0.20000  1.0 3.0
   41    43    47    54   1.53400  1.0 1.0
   41    43    47    54  -0.09950 -1.0 2.0
   41    43    47    54   0.05700  1.0 3.0
   41    46    49    50   0.37050  1.0 3.0
   41    46    49    51   0.37050  1.0 3.0
   41    46    49    52   0.37050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    49   0.37050  1.0 3.0
   43    41    46    49   0.06250  1.0 1.0
   43    41    46    49  -0.01100 -1.0 2.0
   43    41    46    49   0.28050  1.0 3.0
   43    47   -53    33   0.56750  1.0 1.0
   43    47   -53    33  -0.07550 -1.0 2.0
   43    47   -53    33   0.20000  1.0 3.0
   43    47    53    55  -0.03700  1.0 1.0
   43    47    53    55   0.37200 -1.0 2.0
   43    47    53    55  -0.47300  1.0 3.0
   43    47    53    61   0.56750  1.0 1.0
   43    47    53    61  -0.07550 -1.0 2.0
   43    47    53    61   0.20000  1.0 3.0
   43    47    54    74   1.99000  1.0 1.0
   43    47    54    74   0.18800 -1.0 2.0
   43    47    54    74   0.81350  1.0 3.0
   43    47    54    56   1.99000  1.0 1.0
   43    47    54    56   0.18800 -1.0 2.0
   43    47    54    56   0.81350  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    53   0.15000  1.0 3.0
   45    43    47    54   0.15000  1.0 3.0
   47    53    55    59   0.04150 -1.0 2.0
   47    53    55    69   0.04150 -1.0 2.0
   47    53   -61    56   0.56750  1.0 1.0
   47    53   -61    56  -0.07550 -1.0 2.0
   47    53   -61    56   0.20000  1.0 3.0
   47    53    61    62   0.15000  1.0 3.0
   47    53    61    64   0.86500  1.0 1.0
   47    53    61    64  -0.17500 -1.0 2.0
   47    53    61    64   0.20800  1.0 3.0
   47    54    56    57   0.28000  1.0 3.0
   47    54    56    58   0.28000  1.0 3.0
   47    54   -56    61   1.99000  1.0 1.0
   47    54   -56    61   0.18800 -1.0 2.0
   47    54   -56    61   0.81350  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    55   0.43200  1.0 3.0
   48    47    53    61   0.15000  1.0 3.0
   48    47    54    74   0.28000  1.0 3.0
   48    47    54    56   0.28000  1.0 3.0
   53    33    38    39   0.62750  1.0 1.0
   53    33    38    39  -0.30950 -1.0 2.0
   53    33    38    39   0.27300  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    47    54    74   1.99000  1.0 1.0
   53    47    54    74   0.18800 -1.0 2.0
   53    47    54    74   0.81350  1.0 3.0
   53    47   -54    56   1.99000  1.0 1.0
   53    47   -54    56   0.18800 -1.0 2.0
   53    47   -54    56   0.81350  1.0 3.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55    59    63   3.62500 -1.0 2.0
   53    55    69    67   3.62500 -1.0 2.0
   53    55   -69    74   3.62500 -1.0 2.0
   53    61    64    65  -0.11600  1.0 1.0
   53    61    64    65  -0.09450 -1.0 2.0
   53    61    64    65   0.21250  1.0 3.0
   55    53    61    56  -0.03700  1.0 1.0
   55    53    61    56   0.37200 -1.0 2.0
   55    53    61    56  -0.47300  1.0 3.0
   55    53    61    62   0.43200  1.0 3.0
   55    53    61    64   1.13150  1.0 1.0
   55    53    61    64  -1.01400 -1.0 2.0
   55    59    63    66   3.62500 -1.0 2.0
   55    59    63    81   3.62500 -1.0 2.0
   55    69    74    75   0.00000  1.0 1.0
   55    69    74    76   0.00000  1.0 1.0
   55    69    74    54   0.18550 -1.0 2.0
   55    69    74    54   0.14000  1.0 3.0
   59    55    69    67   3.62500 -1.0 2.0
   59    55    69    74   3.62500 -1.0 2.0
   59    63   -66    67   3.62500 -1.0 2.0
   59    63    66    68   3.62500 -1.0 2.0
   59    63    81    71   1.63200 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   60    59    63    81   3.62500 -1.0 2.0
   63    66    67    69   3.62500 -1.0 2.0
   63    66    67    70   3.62500 -1.0 2.0
   63    66   -68    71   1.63200 -1.0 2.0
   66    63   -81    71   1.63200 -1.0 2.0
   66    67   -69    55   3.62500 -1.0 2.0
   66    67    69    74   3.62500 -1.0 2.0
   66    67    70    77   1.63200 -1.0 2.0
   66    68    71    72   0.08050  1.0 3.0
   66    68    71    73   0.08050  1.0 3.0
   66    68   -71    81  -0.25600  1.0 1.0
   66    68   -71    81  -0.40050 -1.0 2.0
   66    68   -71    81   0.34700  1.0 3.0
   67    66    68    71   1.63200 -1.0 2.0
   67    69    74    75   0.00000  1.0 1.0
   67    69    74    76   0.00000  1.0 1.0
   67    69    74    54   0.18550 -1.0 2.0
   67    69    74    54   0.14000  1.0 3.0
   67    70    77    78   0.08050  1.0 3.0
   67    70    77    79   0.08050  1.0 3.0
   67    70    77    80   0.08050  1.0 3.0
   69    55    59    60   3.62500 -1.0 2.0
   69    55   -59    63   3.62500 -1.0 2.0
   69    67    70    77   1.63200 -1.0 2.0
   69    74   -54    47   0.82600  1.0 1.0
   69    74   -54    47  -0.32100 -1.0 2.0
   69    74   -54    47   1.02000  1.0 3.0
   69    74    54    56   0.82600  1.0 1.0
   69    74    54    56  -0.32100 -1.0 2.0
   69    74    54    56   1.02000  1.0 3.0
   74    54    56    57   0.28000  1.0 3.0
   74    54    56    58   0.28000  1.0 3.0
   74    54    56    61   1.99000  1.0 1.0
   74    54    56    61   0.18800 -1.0 2.0
   74    54    56    61   0.81350  1.0 3.0
   75    74    54    47   0.28000  1.0 3.0
   75    74    54    56   0.28000  1.0 3.0
   76    74    54    47   0.28000  1.0 3.0
   76    74    54    56   0.28000  1.0 3.0
   54    47    53    33   1.53400  1.0 1.0
   54    47    53    33  -0.09950 -1.0 2.0
   54    47    53    33   0.05700  1.0 3.0
   54    47   -53    55   0.83750  1.0 1.0
   54    47   -53    55   0.32200 -1.0 2.0
   54    47   -53    55   0.70600  1.0 3.0
   54    47   -53    61   1.53400  1.0 1.0
   54    47   -53    61  -0.09950 -1.0 2.0
   54    47   -53    61   0.05700  1.0 3.0
   54    56   -61    53   1.53400  1.0 1.0
   54    56   -61    53  -0.09950 -1.0 2.0
   54    56   -61    53   0.05700  1.0 3.0
   54    56    61    62   0.15000  1.0 3.0
   54    56    61    64   3.18500  1.0 1.0
   56    61    64    65  -0.11600  1.0 1.0
   56    61    64    65  -0.09450 -1.0 2.0
   56    61    64    65   0.21250  1.0 3.0
   57    56    61    53   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    64   0.23400  1.0 3.0
   58    56    61    53   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    64   0.23400  1.0 3.0
   61    53    55    59   0.04150 -1.0 2.0
   61    53    55    69   0.04150 -1.0 2.0
   62    61    64    65   0.19450  1.0 3.0
   70    67    69    55   3.62500 -1.0 2.0
   70    67    69    74   3.62500 -1.0 2.0
   68    66    67    69   3.62500 -1.0 2.0
   68    66    67    70   3.62500 -1.0 2.0
   68    71   -81    63  -0.25600  1.0 1.0
   68    71   -81    63  -0.40050 -1.0 2.0
   68    71   -81    63   0.34700  1.0 3.0
   72    71    81    63   0.08050  1.0 3.0
   73    71    81    63   0.08050  1.0 3.0
   81    63    66    67   3.62500 -1.0 2.0
   81    63   -66    68   3.62500 -1.0 2.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   59    69    55    53   4.00000 -1.0 2.0
   63    60    59    55   1.10000 -1.0 2.0
   66    81    63    59   4.00000 -1.0 2.0
   67    68    66    63   4.00000 -1.0 2.0
   69    70    67    66   4.00000 -1.0 2.0
   67    74    69    55   4.00000 -1.0 2.0
END
