* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    221     435
    1     0 S   NP   _N1_     1    28.71162    95.29006   -25.00557
    2     1 S   H    _HN1     2     1.02825    28.66280   174.80299
    3     1 S   H    _H1_     3     1.02798   115.59214  -104.75581
    4     1 S   H    _H2_     4     1.02946    78.55825     0.30390
    5     1 S   CT   _CA1     5     1.50135   125.08710   107.31471
    6     5 S   HC   _HA1     6     1.09573   105.14845    87.59468
    7     5 S   CO3  _C1_     7     1.53767   112.48647   -32.62040
    8     7 S   O2Z  _O11     8     1.26383   114.99922   -41.74387
    9     7 S   O2Z  _O12     9     1.26233   114.94782   137.23618
   10     5 S   CT   _CB1    10     1.53049   107.39694  -154.40235
   11    10 S   HC   HB11    11     1.09847   109.34007   -48.87330
   12    10 S   HC   HB12    12     1.09811   110.46819    67.71795
   13    10 S   CT   _CG1    13     1.53039   112.66441  -169.77688
   14    13 S   HC   HG11    14     1.09560   110.80132   -68.03600
   15    13 S   HC   HG12    15     1.09665   109.65166    51.22751
   16    13 S   C    _CD1    16     1.51813   111.80491   171.78723
   17    16 S   O    _OE1    17     1.22774   123.09226    16.09077
   18    16 S   N    _N2_    18     1.38632   111.95483  -163.98801
   19    18 S   H    _HN2    19     1.01579   119.06151     0.70776
   20    18 S   CT1  _CA2    20     1.46246   123.34753   176.16049
   21    20 S   HC   _HA2    21     1.09748   109.20863     8.93169
   22    20 S   C    _C2_    22     1.53756   109.04688  -106.52360
   23    22 S   O    _O2_    23     1.23087   122.20533  -150.59024
   24    20 S   CT   _CB2    32     1.53518   111.72382   130.83079
   25    24 S   HC   HB21    33     1.09387   109.39653    56.27111
   26    24 S   HC   HB22    34     1.09338   109.57165   175.18802
   27    22 S   N    _N3_    24     1.38304   113.96786    36.98175
   28    27 S   H    _HN3    25     1.01522   119.62902    -3.34310
   29    24 S   S    _SG2    35     1.82618   111.11754   -63.63509
   30    27 S   CT   _CA3    26     1.45277   123.32984   177.20166
   31    30 S   HC   HA31    27     1.09546   107.52823   -64.53468
   32    30 S   HC   HA32    28     1.09554   107.98791    51.93303
   33    29 S   CT   _C7_    36     1.87743   102.26469  -158.12670
   34    30 S   CO3  _C3_    29     1.52989   114.01260   173.92294
   35    34 S   O2Z  _O31    30     1.26392   116.08658    -0.31216
   36    34 S   O2Z  _O32    31     1.26427   114.41864   179.73681
   37    33 S   CT   _C8_    37     1.54049   105.92548   167.18721
   38    37 S   HC   _H12    38     1.09876   110.82234   -47.89928
   39    37 S   HC   _H13    39     1.09880   110.09915  -163.37510
   40    33 S   OS   _O34    76     1.45293   110.74176    47.67414
   41    37 S   C    _C9_    40     1.51612   116.84317    75.62063
   42    41 S   O    _O33    41     1.23557   118.44462  -154.20664
   43    40 S   CT   _C10    77     1.42018   117.78225    68.46632
   44    43 S   HC   _H14    78     1.09384   107.76289  -171.72156
   45    43 S   HC   _H15    79     1.09317   110.85650    70.81993
   46    43 S   HC   _H16    80     1.09257   112.11852   -53.04903
   47    41 S   N    _N4_    42     1.39208   117.70834    31.19852
   48    47 S   CT   _C5_    43     1.48794   124.92213   -17.39308
   49    48 S   OM   _O41    44     1.32443   107.37032   -97.47367
   50    48 S   HC   _H3_    45     1.09635   102.96254   138.62792
   51    47 S   CT   _C4_    72     1.46435   118.10483   169.83434
   52    51 S   HC   _H9_    73     1.09379   109.18293   101.44792
   53    51 S   HC   _H10    74     1.09344   111.38978   -18.47155
   54    51 S   HC   _H11    75     1.09293   109.33709  -138.41201
   55    33 S   CT   _C6_    46     1.58482   117.47873   -74.05415
   56    55 S   CZ   _C11    47     1.48941   111.11222    65.93626
   57    56 S   NZ   _N5_    48     1.16154   177.59011   128.92158
   58    55 S   OS1  _O35    49     1.46416   103.48603  -179.25244
   59    58 S   CO1  _C12    50     1.43140   118.91245  -179.92867
   60    59 S   HC   _H4_    51     1.09663   110.87178    20.77487
   61    59 S   CT   _C13    52     1.53503   106.88936   140.61380
   62    61 S   HC   _H5_    53     1.09691   110.00462    51.91525
   63    61 S   CT   _C14    54     1.52990   111.20967   173.82524
   64    63 S   HC   _H6_    55     1.09666   110.26932    73.15998
   65    61 S   OH5  _O40    70     1.42927   110.10773   -64.85361
   66    65 S   HO   _H22    71     0.97255   108.30493   -57.28273
   67    63 S   CT   _C15    56     1.53116   111.20928   -49.56822
   68    67 S   HC   _H7_    57     1.09708   109.06209   -71.39879
   69    63 S   OH5  _O39    68     1.42961   109.67473  -170.89103
   70    69 S   HO   _H21    69     0.97239   108.12242    60.02522
   71    67 S   CT   _C16    58     1.53252   110.73603    49.86406
   72    71 S   HC   _H8_    59     1.09832   110.92800    64.45915
   73    67 S   OH5  _O38    66     1.42623   109.63791   171.80192
   74    73 S   HO   _H20    67     0.97258   108.17198   -58.14134
   75    59 S   OS1  _O36    60     1.42991   109.92487  -100.65725
   76    71 S   CT   _C17    61     1.53019   111.33522  -174.80823
   77    76 S   HC   _H17    62     1.09504   110.99105    71.27647
   78    76 S   HC   _H18    63     1.09392   111.60687   -51.13961
   79    76 S   OH5  _O37    64     1.42433   109.12083  -169.96679
   80    79 S   HO   _H19    65     0.97228   107.07186  -177.25662
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  19   2   1   1  12   6   5   9  10   3   4   2   1   1  10  11
   5   4   4   2   1   1   7   3   1   8  13   6  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    55    56    58    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    50    55    56    57    58    59    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    55    56    58    51    40    43  
   39    41    42    47    55    40  
   41    42    47    55    40  
   43    44    45    46    41    48    55    56    58  
   42    47    48    49    50    55    51    52    53    54  
   47    48    51  
   44    45    46    55  
   45    46  
   46  
    0  
   48    49    50    55    56    58    51    52    53    54  
   49    50    55    56    57    58    59    51    52    53    54  
   50    55    56    58    51  
   55    56    58    51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    60    61    75  
   57    58    59  
   58  
   59    60    61    62    63    71    75    65  
   60    61    62    63    64    67    71    72    75    76    69    65    66  
   61    62    63    71    75    65  
   62    63    64    67    68    71    75    73    69    70    65    66  
   63    64    67    75    69    65    66  
   64    67    68    71    72    75    76    73    74    69    70    65    66  
   67    68    71    73    69    70    65  
   66    67    69    75  
    0  
   68    71    72    75    76    77    78    79    73    74    69    70  
   71    72    75    76    73    74    69  
   70    71    73  
    0  
   72    75    76    77    78    79    80    73    74  
   75    76    77    78    79    73  
   74    75    76  
    0  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   48   4.2000   0.3000   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   57   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   58   2.9000   0.1400  -0.400000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    55   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   490.000  1.335
   47    48   337.000  1.449
   47    51   337.000  1.449
   48    49   570.000  1.307
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   390.000  1.470
   55    58   335.000  1.422
   56    57   650.000  1.157
   58    59   370.000  1.399
   59    60   360.000  1.097
   59    61   255.000  1.525
   59    75   370.000  1.399
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   355.000  1.421
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   335.000  1.422
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   355.000  1.421
   79    80   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   65    66   580.000  0.967
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    55    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    55    48    58.35000  112.70000
   33    55    56    58.35000  112.70000
   33    55    58    95.00000  107.88500
   33    40    43    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    47    70.00000  116.60000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    50.00000  121.90000
   41    47    51    50.00000  121.90000
   47    41    42    80.00000  122.90000
   47    48    49    95.00000  111.00000
   47    48    50    35.00000  109.50000
   47    48    55    70.00000  110.72300
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   48    55    56    58.35000  112.70000
   48    55    58    95.00000  107.88500
   50    48    49    45.00000  125.66300
   55    33    37    58.35000  112.70000
   55    48    49    50.00000  109.50000
   55    48    50    37.50000  110.70000
   55    56    57   150.00000  180.00000
   55    58    59    90.00000  112.10700
   58    55    56    90.00000  109.17800
   58    59    60    60.00000  105.75400
   58    59    61    90.00000  109.70700
   58    59    75   110.00000  113.16000
   59    61    62    45.00000  109.54000
   59    61    63    70.00000  111.10000
   59    61    65    90.00000  109.42000
   59    75    71    90.00000  112.10700
   61    59    60    45.00000  111.65000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    69    90.00000  111.45300
   61    65    66    65.00000  108.53500
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    73    90.00000  111.45300
   63    69    70    65.00000  108.53500
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    95.00000  107.88500
   67    71    76    58.35000  112.70000
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    90.00000  111.45300
   75    59    60    60.00000  105.75400
   75    59    61    90.00000  109.70700
   75    71    72    55.00000  108.98800
   76    71    72    37.50000  110.70000
   76    71    75    95.00000  107.88500
   76    79    80    65.00000  108.53500
   78    76    77    33.00000  107.80000
   79    76    77    60.00000  109.39000
   79    76    78    60.00000  109.39000
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    63    64    60.00000  109.39000
   69    63    67    90.00000  111.45300
   65    61    62    60.00000  109.39000
   65    61    63    90.00000  111.45300
   51    47    48    50.00000  118.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    55    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    55    48   0.44750  1.0 1.0
   29    33    55    48  -0.17800 -1.0 2.0
   29    33    55    48   0.20200  1.0 3.0
   29    33    55    56   0.56750  1.0 1.0
   29    33    55    56  -0.07550 -1.0 2.0
   29    33    55    56   0.20000  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   1.39750  1.0 1.0
   33    37    41    47  -0.07950 -1.0 2.0
   33    37    41    47  -0.18750  1.0 3.0
   33    55    56    57   0.00000  1.0 1.0
   33    55    58    59   0.06250  1.0 1.0
   33    55    58    59  -0.01100 -1.0 2.0
   33    55    58    59   0.28050  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    45   0.37050  1.0 3.0
   33    40    43    46   0.37050  1.0 3.0
   37    33    55    48   0.56750  1.0 1.0
   37    33    55    48  -0.07550 -1.0 2.0
   37    33    55    48   0.20000  1.0 3.0
   37    33    55    56  -0.74000  1.0 1.0
   37    33    55    56   0.24050 -1.0 2.0
   37    33    55    56   0.24650  1.0 3.0
   37    33    55    58   0.62750  1.0 1.0
   37    33    55    58  -0.30950 -1.0 2.0
   37    33    55    58   0.27300  1.0 3.0
   37    33    40    43   0.06250  1.0 1.0
   37    33    40    43  -0.01100 -1.0 2.0
   37    33    40    43   0.28050  1.0 3.0
   37    41   -47    48   1.49850  1.0 1.0
   37    41   -47    48   1.53950 -1.0 2.0
   37    41    47    51   1.49850  1.0 1.0
   37    41    47    51   1.53950 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    47    48    49  -2.75650  1.0 1.0
   41    47    48    49  -1.18150 -1.0 2.0
   41    47    48    49   0.81900  1.0 3.0
   41    47    48    50   0.00000  1.0 1.0
   41    47    48    55  -0.43950  1.0 1.0
   41    47    48    55  -0.08100 -1.0 2.0
   41    47    48    55   0.03350  1.0 3.0
   41    47    51    52   0.00000  1.0 1.0
   41    47    51    53   0.00000  1.0 1.0
   41    47    51    54   0.00000  1.0 1.0
   42    41    47    48   3.04450 -1.0 2.0
   42    41    47    51   3.04450 -1.0 2.0
   47    48   -55    33   0.43900  1.0 1.0
   47    48   -55    33   0.49100 -1.0 2.0
   47    48   -55    33   0.28400  1.0 3.0
   47    48    55    56   0.56750  1.0 1.0
   47    48    55    56  -0.07550 -1.0 2.0
   47    48    55    56   0.20000  1.0 3.0
   47    48    55    58   1.12100  1.0 1.0
   47    48    55    58  -0.16500 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    54   0.00000  1.0 1.0
   48    55    56    57   0.00000  1.0 1.0
   48    55    58    59   0.06250  1.0 1.0
   48    55    58    59  -0.01100 -1.0 2.0
   48    55    58    59   0.28050  1.0 3.0
   49    48    55    33   0.62750  1.0 1.0
   49    48    55    33  -0.30950 -1.0 2.0
   49    48    55    33   0.27300  1.0 3.0
   49    48    55    56   0.56750  1.0 1.0
   49    48    55    56  -0.07550 -1.0 2.0
   49    48    55    56   0.20000  1.0 3.0
   49    48    55    58   1.11900  1.0 1.0
   49    48    55    58  -1.16350 -1.0 2.0
   49    48    55    58  -0.34150  1.0 3.0
   50    48    55    33   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    58   0.23400  1.0 3.0
   55    33    37    38   0.15000  1.0 3.0
   55    33    37    39   0.15000  1.0 3.0
   55    33   -37    41  -0.95700  1.0 1.0
   55    33   -37    41  -0.18200 -1.0 2.0
   55    33   -37    41   0.29450  1.0 3.0
   55    33    40    43   0.06250  1.0 1.0
   55    33    40    43  -0.01100 -1.0 2.0
   55    33    40    43   0.28050  1.0 3.0
   55    58    59    60   0.37050  1.0 3.0
   55    58    59    61   0.06250  1.0 1.0
   55    58    59    61  -0.01100 -1.0 2.0
   55    58    59    61   0.28050  1.0 3.0
   55    58    59    75  -0.12700  1.0 1.0
   55    58    59    75  -1.16200 -1.0 2.0
   55    58    59    75   0.58800  1.0 3.0
   56    55    58    59   0.37500  1.0 3.0
   58    55    56    57   0.00000  1.0 1.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.62750  1.0 1.0
   58    59    61    63  -0.30950 -1.0 2.0
   58    59    61    63   0.27300  1.0 3.0
   58    59    61    65   1.51850  1.0 1.0
   58    59    75    71  -0.70400  1.0 1.0
   58    59    75    71  -0.90350 -1.0 2.0
   59    61    63    64   0.15000  1.0 3.0
   59    61    63    67   0.56750  1.0 1.0
   59    61    63    67  -0.07550 -1.0 2.0
   59    61    63    67   0.20000  1.0 3.0
   59    61    63    69  -0.47750  1.0 1.0
   59    61    65    66   0.29150  1.0 1.0
   59    61    65    66  -0.28350 -1.0 2.0
   59    61    65    66   0.43600  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    65   0.23400  1.0 3.0
   60    59    75    71   0.37050  1.0 3.0
   61    59    75    71   0.06250  1.0 1.0
   61    59    75    71  -0.01100 -1.0 2.0
   61    59    75    71   0.28050  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63   -67    71   0.56750  1.0 1.0
   61    63   -67    71  -0.07550 -1.0 2.0
   61    63   -67    71   0.20000  1.0 3.0
   61    63    67    73  -0.47750  1.0 1.0
   61    63    69    70   0.29150  1.0 1.0
   61    63    69    70  -0.28350 -1.0 2.0
   61    63    69    70   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66   0.29150  1.0 1.0
   63    61    65    66  -0.28350 -1.0 2.0
   63    61    65    66   0.43600  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    75   0.62750  1.0 1.0
   63    67    71    75  -0.30950 -1.0 2.0
   63    67    71    75   0.27300  1.0 3.0
   63    67    71    76   0.56750  1.0 1.0
   63    67    71    76  -0.07550 -1.0 2.0
   63    67    71    76   0.20000  1.0 3.0
   63    67    73    74   0.29150  1.0 1.0
   63    67    73    74  -0.28350 -1.0 2.0
   63    67    73    74   0.43600  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    73   0.23400  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70   0.29150  1.0 1.0
   67    63    69    70  -0.28350 -1.0 2.0
   67    63    69    70   0.43600  1.0 3.0
   67    71   -75    59   0.06250  1.0 1.0
   67    71   -75    59  -0.01100 -1.0 2.0
   67    71   -75    59   0.28050  1.0 3.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79  -0.47750  1.0 1.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    76    79    80   0.29150  1.0 1.0
   71    76    79    80  -0.28350 -1.0 2.0
   71    76    79    80   0.43600  1.0 3.0
   72    71    75    59   0.37050  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.23400  1.0 3.0
   75    59    61    62   0.23400  1.0 3.0
   75    59   -61    63   0.62750  1.0 1.0
   75    59   -61    63  -0.30950 -1.0 2.0
   75    59   -61    63   0.27300  1.0 3.0
   75    59    61    65   1.51850  1.0 1.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   1.51850  1.0 1.0
   76    71    75    59   0.06250  1.0 1.0
   76    71    75    59  -0.01100 -1.0 2.0
   76    71    75    59   0.28050  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80   0.19450  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   1.51850  1.0 1.0
   73    67    71    76  -0.47750  1.0 1.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71  -0.47750  1.0 1.0
   69    63    67    73   3.77950  1.0 1.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67  -0.47750  1.0 1.0
   65    61    63    69   3.77950  1.0 1.0
   51    47    48    49   0.17850 -1.0 2.0
   51    47    48    50   0.00000  1.0 1.0
   51    47    48    55   0.00000  1.0 1.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    55    48   0.62750  1.0 1.0
   40    33    55    48  -0.30950 -1.0 2.0
   40    33    55    48   0.27300  1.0 3.0
   40    33    55    56   0.56750  1.0 1.0
   40    33    55    56  -0.07550 -1.0 2.0
   40    33    55    56   0.20000  1.0 3.0
   40    33    55    58   1.11900  1.0 1.0
   40    33    55    58  -1.16350 -1.0 2.0
   40    33    55    58  -0.34150  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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   51    41    47    48   1.00000 -1.0 2.0
END
