* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    154    244     449
    1     0 S   NP   _N1_     1    28.64550    96.10797   -22.67334
    2     1 S   H    _HN1     2     1.02785    99.24900   -89.18710
    3     1 S   H    _H1_     3     1.02949    75.35119    17.50707
    4     1 S   H    _H2_     4     1.02829    37.93600   163.52559
    5     1 S   CT   _CA1     5     1.50114   143.11300   122.11253
    6     5 S   HC   _HA1     6     1.09573   105.20054    85.03151
    7     5 S   CO3  _C1_     7     1.53791   112.42282   -35.21017
    8     7 S   O2Z  _O11     8     1.26374   115.00392   -43.33699
    9     7 S   O2Z  _O12     9     1.26238   114.94622   135.76582
   10     5 S   CT   _CB1    10     1.53079   107.42047  -156.99409
   11    10 S   HC   HB11    11     1.09832   109.38760   -49.74053
   12    10 S   HC   HB12    12     1.09813   110.44859    66.87104
   13    10 S   CT   _CG1    13     1.52988   112.59326  -170.71532
   14    13 S   HC   HG11    14     1.09585   110.61886   -65.25486
   15    13 S   HC   HG12    15     1.09669   109.80232    53.97354
   16    13 S   C    _CD1    16     1.51800   112.22894   174.43215
   17    16 S   O    _OE1    17     1.22734   123.29126     6.37578
   18    16 S   N    _N2_    18     1.38644   111.66415  -173.76536
   19    18 S   H    _HN2    19     1.01581   118.97129     1.54636
   20    18 S   CT1  _CA2    20     1.46196   123.38796   177.89494
   21    20 S   HC   _HA2    21     1.09741   109.37283     1.70961
   22    20 S   C    _C2_    22     1.53539   108.58709  -113.77741
   23    22 S   O    _O2_    23     1.23059   122.28940  -147.87509
   24    20 S   CT   _CB2    32     1.53493   111.65661   123.70010
   25    24 S   HC   HB21    33     1.09491   109.41861    56.37553
   26    24 S   HC   HB22    34     1.09271   109.65775   175.11376
   27    22 S   N    _N3_    24     1.38328   113.68671    39.57000
   28    27 S   H    _HN3    25     1.01591   119.58015    -3.38298
   29    24 S   S    _SG2    35     1.82903   111.04613   -63.93883
   30    27 S   CT   _CA3    26     1.45285   123.19688   177.11201
   31    30 S   HC   HA31    27     1.09549   107.51742   -64.38197
   32    30 S   HC   HA32    28     1.09557   107.97296    52.04944
   33    29 S   CT   _C12    36     1.91671   102.68027  -168.24349
   34    30 S   CO3  _C3_    29     1.52955   114.09325   174.04741
   35    34 S   O2Z  _O31    30     1.26374   116.07171    -0.47230
   36    34 S   O2Z  _O32    31     1.26429   114.40997   179.58693
   37    33 S   CT   _C11    37     1.54799   106.09779    74.36335
   38    37 S   HC   _H12    38     1.09456   111.26996   -55.39461
   39    37 S   HC   _H13    39     1.09476   112.27400  -174.26274
   40    33 S   CT   _C13    57     1.55665   110.03582   -49.82127
   41    40 S   HC   _H3_    58     1.09688   108.69995    59.84247
   42    37 S   CO4  _C10    40     1.52004   112.81273    66.61968
   43    42 S   O    _O33    41     1.23077   120.67191  -159.78225
   44    40 S   NT   _N4_    59     1.48336   109.49824   -57.12931
   45    42 S   CM   _C9_    42     1.49485   118.79989    22.91287
   46    44 S   CT   _C5_    60     1.46484   114.85793   -59.73579
   47    46 S   HC   _H7_    61     1.09686   110.89128   -73.33035
   48    46 S   HC   _H8_    62     1.09745   109.39528   170.15869
   49    44 S   CT   _C4_    66     1.45852   113.88412   169.82094
   50    49 S   HC   _H4_    67     1.09545   110.92802   -49.93620
   51    49 S   HC   _H5_    68     1.09590   110.15527  -167.46485
   52    49 S   HC   _H6_    69     1.09457   112.83820    72.10846
   53    45 S   CM   _C8_    43     1.34190   119.67081     6.49347
   54    53 S   HC   _H11    44     1.08875   118.04308   177.41480
   55    59 S   CT   _C6_    63     1.55581   109.15316    59.20448
   56    55 S   HC   _H9_    64     1.09739   110.73977   -68.96209
   57    55 S   HC   _H10    65     1.09886   110.79692   174.85692
   58    45 S   OS   _O36    75     1.38112   119.19981  -177.94653
   59    33 S   CT   _C7_    45     1.57858   110.98421  -167.24403
   60    58 S   CT   _C22    76     1.42632   110.72665    76.48847
   61    60 S   HC   _H20    77     1.09400   107.87852   176.02901
   62    60 S   HC   _H21    78     1.09572   110.97900    57.78797
   63    60 S   HC   _H22    79     1.09452   111.50687   -65.53652
   64    59 S   CA   _C16    46     1.55243   111.52251   175.91812
   65    64 S   CA   _C17    47     1.41205   120.80936   156.90954
   66    65 S   HA   _H16    48     1.08493   121.87979    -0.95244
   67    65 S   CA   _C18    49     1.38000   118.94603   178.56387
   68    67 S   CA   _C19    50     1.37060   121.78501    -0.68156
   69    68 S   CA   _C20    51     1.37661   121.50032    -0.41590
   70    69 S   HA   _H17    52     1.08549   120.49000  -179.53312
   71    68 S   OS   _O34    70     1.36016   112.48018  -179.97202
   72    64 S   CA   _C15    53     1.42229   120.35112   -26.63961
   73    71 S   CO   _C21    71     1.44218   100.91373    -0.01978
   74    73 S   HC   _H18    72     1.09607   108.67812   121.09868
   75    73 S   HC   _H19    73     1.09610   108.69011  -120.71571
   76    72 S   CT   _C14    54     1.50866   121.75384     2.19374
   77    76 S   HC   _H14    55     1.09859   107.30094   111.13685
   78    76 S   HC   _H15    56     1.09561   109.29573  -134.99430
   79    67 S   OS   _O35    74     1.36092   125.82144   179.58551
  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  13   5   4   3
  23   2   1   1  14   6   5  19   8   7   3  15  10  13   6   5
   5   2   1   1  10   4   6   3   2   5   7   3   2   1   1  11
   9   4   9   9   8   3   5   3   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    53    59    64    76    40    41    44    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    45    53    54    59    64    65    72    76    77    78    40    41    44    46    55    56    57    49  
   35    36  
   36  
    0  
   38    39    42    43    45    53    59    64    76    40    41    44    55    58  
   39    42    43    45    59    40  
   42    43    45    59    40  
   41    44    46    47    48    55    49    50    51    52    42    53    59    64    69    72    76    77    78  
   44    46    49    59    72    76    77    78  
   43    45    53    54    59    58    60  
   45    53    58  
   46    47    48    55    56    57    49    50    51    52    59    72    76    77    78  
   53    54    59    64    55    58    60    61    62    63  
   47    48    55    56    57    49    50    51    52    53    59    64    76  
   48    55    56    57    49    59  
   55    56    57    49    59  
   50    51    52    55    76  
   51    52  
   52  
    0  
   54    59    64    65    72    55    56    57    58    60  
   59    64    55    58  
   56    57    59    64    65    72  
   57    59    64  
   59    64  
   60    61    62    63    59  
   64    65    66    67    69    72    76  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    72    76    77    78    79  
   66    67    68    69    72    76    71    73    79  
   67    68    72    79  
   68    69    70    72    71    73    74    75    79  
   69    70    72    76    71    73    74    75    79  
   70    72    76    77    78    71    73    79  
   72    76    71  
   73    74    75    79    72  
   76    77    78  
   74    75    79  
   75    79  
   79  
   77    78  
   78  
    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   0.167500   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.005000   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   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    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    59   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    45   320.000  1.462
   45    53   549.000  1.340
   45    58   440.000  1.360
   53    54   340.000  1.080
   53    59   317.000  1.510
   59    64   317.000  1.510
   59    55   268.000  1.529
   64    65   469.000  1.400
   64    72   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    79   450.000  1.364
   68    69   469.000  1.400
   68    71   450.000  1.364
   69    70   367.000  1.080
   69    72   469.000  1.400
   72    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    40   268.000  1.529
   40    41   340.000  1.090
   40    44   382.000  1.448
   44    46   382.000  1.448
   44    49   382.000  1.448
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   71    73   320.000  1.380
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   320.000  1.380
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    59    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    59    53    70.00000  112.02700
   33    59    64    70.00000  112.17500
   33    59    55    58.35000  112.70000
   33    40    76    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    56.20000  109.47000
   37    42    43    80.00000  120.40000
   37    42    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    53    65.00000  118.96000
   42    45    58    85.00000  116.28000
   45    42    43    80.00000  123.72100
   45    53    54    35.00000  120.00000
   45    53    59    70.00000  124.00000
   45    58    60    90.00000  111.18400
   53    59    64    70.00000  112.99600
   53    59    55    70.00000  112.02700
   59    33    37    58.35000  112.70000
   59    53    54    35.00000  117.00000
   59    64    65    70.00000  120.00000
   59    64    72    70.00000  120.00000
   59    55    46    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    72    69    63.00000  120.00000
   64    72    76    70.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    79    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    69    63.00000  120.00000
   67    68    71    70.00000  120.00000
   67    79    73   100.00000  112.36700
   68    69    70    35.00000  120.00000
   68    69    72    63.00000  120.00000
   68    71    73   100.00000  112.36700
   69    72    76    70.00000  120.00000
   72    64    65    63.00000  120.00000
   72    69    70    35.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    40    70.00000  112.17500
   76    40    41    37.50000  110.70000
   76    40    44    56.20000  109.47000
   78    76    77    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    59    58.35000  112.70000
   40    76    77    37.50000  110.70000
   40    76    78    37.50000  110.70000
   40    44    46    51.80000  107.20000
   40    44    49    51.80000  107.20000
   44    40    41    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    55    56.20000  109.47000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   48    46    47    33.00000  107.80000
   55    59    64    70.00000  112.17500
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   57    55    56    33.00000  107.80000
   49    44    46    51.80000  107.20000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   71    68    69    70.00000  120.00000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    79    92.60000  111.55000
   75    73    74    33.00000  109.50000
   79    67    68    70.00000  120.00000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   58    45    53    80.00000  120.01400
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    59    53   0.56750  1.0 1.0
   29    33    59    53  -0.07550 -1.0 2.0
   29    33    59    53   0.20000  1.0 3.0
   29    33    59    64   0.56750  1.0 1.0
   29    33    59    64  -0.07550 -1.0 2.0
   29    33    59    64   0.20000  1.0 3.0
   29    33    59    55   0.44750  1.0 1.0
   29    33    59    55  -0.17800 -1.0 2.0
   29    33    59    55   0.20200  1.0 3.0
   29    33    40    76   0.44750  1.0 1.0
   29    33    40    76  -0.17800 -1.0 2.0
   29    33    40    76   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    45   0.65300  1.0 1.0
   33    37    42    45  -0.03850 -1.0 2.0
   33    37    42    45   0.33900  1.0 3.0
   33    59    64    65   0.04150 -1.0 2.0
   33    59    64    72   0.04150 -1.0 2.0
   33    59    55    46   0.56750  1.0 1.0
   33    59    55    46  -0.07550 -1.0 2.0
   33    59    55    46   0.20000  1.0 3.0
   33    59    55    56   0.15000  1.0 3.0
   33    59    55    57   0.15000  1.0 3.0
   33    40   -44    46   0.23450  1.0 1.0
   33    40   -44    46   0.02050 -1.0 2.0
   33    40   -44    46   0.25250  1.0 3.0
   33    40    44    49   0.58650  1.0 1.0
   33    40    44    49   0.12600 -1.0 2.0
   33    40    44    49   0.33350  1.0 3.0
   37    33    59    53   0.34400  1.0 1.0
   37    33    59    53   0.09450 -1.0 2.0
   37    33    59    53   0.11100  1.0 3.0
   37    33    59    64  -0.03700  1.0 1.0
   37    33    59    64   0.37200 -1.0 2.0
   37    33    59    64  -0.47300  1.0 3.0
   37    33    59    55   0.56750  1.0 1.0
   37    33    59    55  -0.07550 -1.0 2.0
   37    33    59    55   0.20000  1.0 3.0
   37    33    40    76   0.56750  1.0 1.0
   37    33    40    76  -0.07550 -1.0 2.0
   37    33    40    76   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   1.53400  1.0 1.0
   37    33    40    44  -0.09950 -1.0 2.0
   37    33    40    44   0.05700  1.0 3.0
   37    42   -45    53  -0.33500  1.0 1.0
   37    42   -45    53   1.06600 -1.0 2.0
   37    42   -45    53  -0.14000  1.0 3.0
   37    42    45    58   0.32450 -1.0 2.0
   37    42    45    58   0.17400  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    45   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    45   0.00000  1.0 1.0
   42    45    53    54   7.00000 -1.0 2.0
   42    45    53    59   7.00000 -1.0 2.0
   42    45    58    60   0.15100 -1.0 2.0
   43    42    45    53   1.00000 -1.0 2.0
   43    42    45    58  -0.11900  1.0 1.0
   43    42    45    58   0.76850 -1.0 2.0
   43    42    45    58   0.14100  1.0 3.0
   45    53   -59    33   0.09850  1.0 1.0
   45    53   -59    33   0.15250 -1.0 2.0
   45    53   -59    33  -0.50650  1.0 3.0
   45    53    59    64   1.44450  1.0 1.0
   45    53    59    64   0.06600 -1.0 2.0
   45    53    59    64   0.29250  1.0 3.0
   45    53    59    55   0.09850  1.0 1.0
   45    53    59    55   0.15250 -1.0 2.0
   45    53    59    55  -0.50650  1.0 3.0
   45    58    60    61   0.08050  1.0 3.0
   45    58    60    62   0.08050  1.0 3.0
   45    58    60    63   0.08050  1.0 3.0
   53    45    58    60  -2.26850  1.0 1.0
   53    45    58    60   3.39050 -1.0 2.0
   53    59    64    65   0.18050 -1.0 2.0
   53    59    64    72   0.18050 -1.0 2.0
   53    59    55    46   0.34400  1.0 1.0
   53    59    55    46   0.09450 -1.0 2.0
   53    59    55    46   0.11100  1.0 3.0
   53    59    55    56   0.15000  1.0 3.0
   53    59    55    57   0.15000  1.0 3.0
   54    53    59    33   0.00000  1.0 1.0
   54    53    59    64   0.00000  1.0 1.0
   54    53    59    55   0.00000  1.0 1.0
   59    33    37    38   0.15000  1.0 3.0
   59    33    37    39   0.15000  1.0 3.0
   59    33   -37    42  -0.95700  1.0 1.0
   59    33   -37    42  -0.18200 -1.0 2.0
   59    33   -37    42   0.29450  1.0 3.0
   59    33    40    76   0.56750  1.0 1.0
   59    33    40    76  -0.07550 -1.0 2.0
   59    33    40    76   0.20000  1.0 3.0
   59    33    40    41   0.15000  1.0 3.0
   59    33    40    44   1.53400  1.0 1.0
   59    33    40    44  -0.09950 -1.0 2.0
   59    33    40    44   0.05700  1.0 3.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    67   3.62500 -1.0 2.0
   59    64    72    69   3.62500 -1.0 2.0
   59    64   -72    76   3.62500 -1.0 2.0
   64    59    55    46  -0.03700  1.0 1.0
   64    59    55    46   0.37200 -1.0 2.0
   64    59    55    46  -0.47300  1.0 3.0
   64    59    55    56   0.43200  1.0 3.0
   64    59    55    57   0.43200  1.0 3.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    79   3.62500 -1.0 2.0
   64    72    76    77   0.00000  1.0 1.0
   64    72    76    78   0.00000  1.0 1.0
   64    72    76    40   0.04150 -1.0 2.0
   65    64    72    69   3.62500 -1.0 2.0
   65    64    72    76   3.62500 -1.0 2.0
   65    67   -68    69   3.62500 -1.0 2.0
   65    67    68    71   3.62500 -1.0 2.0
   65    67    79    73   1.63200 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    79   3.62500 -1.0 2.0
   67    68    69    70   3.62500 -1.0 2.0
   67    68    69    72   3.62500 -1.0 2.0
   67    68   -71    73   1.63200 -1.0 2.0
   68    67   -79    73   1.63200 -1.0 2.0
   68    69   -72    64   3.62500 -1.0 2.0
   68    69    72    76   3.62500 -1.0 2.0
   68    71    73    74   0.08050  1.0 3.0
   68    71    73    75   0.08050  1.0 3.0
   68    71   -73    79  -0.25600  1.0 1.0
   68    71   -73    79  -0.40050 -1.0 2.0
   68    71   -73    79   0.34700  1.0 3.0
   69    68    71    73   1.63200 -1.0 2.0
   69    72    76    77   0.00000  1.0 1.0
   69    72    76    78   0.00000  1.0 1.0
   69    72    76    40   0.04150 -1.0 2.0
   70    69    72    64   3.62500 -1.0 2.0
   70    69    72    76   3.62500 -1.0 2.0
   72    64    65    66   3.62500 -1.0 2.0
   72    64   -65    67   3.62500 -1.0 2.0
   72    76   -40    33  -0.03700  1.0 1.0
   72    76   -40    33   0.37200 -1.0 2.0
   72    76   -40    33  -0.47300  1.0 3.0
   72    76    40    41   0.43200  1.0 3.0
   72    76    40    44   0.83750  1.0 1.0
   72    76    40    44   0.32200 -1.0 2.0
   72    76    40    44   0.70600  1.0 3.0
   76    40    44    46   0.23450  1.0 1.0
   76    40    44    46   0.02050 -1.0 2.0
   76    40    44    46   0.25250  1.0 3.0
   76    40    44    49   0.58650  1.0 1.0
   76    40    44    49   0.12600 -1.0 2.0
   76    40    44    49   0.33350  1.0 3.0
   77    76    40    33   0.15000  1.0 3.0
   77    76    40    41   0.15000  1.0 3.0
   77    76    40    44   0.15000  1.0 3.0
   78    76    40    33   0.15000  1.0 3.0
   78    76    40    41   0.15000  1.0 3.0
   78    76    40    44   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    59    53   0.34400  1.0 1.0
   40    33    59    53   0.09450 -1.0 2.0
   40    33    59    53   0.11100  1.0 3.0
   40    33   -59    64  -0.03700  1.0 1.0
   40    33   -59    64   0.37200 -1.0 2.0
   40    33   -59    64  -0.47300  1.0 3.0
   40    33    59    55   0.56750  1.0 1.0
   40    33    59    55  -0.07550 -1.0 2.0
   40    33    59    55   0.20000  1.0 3.0
   40    44    46    47   0.28000  1.0 3.0
   40    44    46    48   0.28000  1.0 3.0
   40    44   -46    55   0.23450  1.0 1.0
   40    44   -46    55   0.02050 -1.0 2.0
   40    44   -46    55   0.25250  1.0 3.0
   40    44    49    50   0.28000  1.0 3.0
   40    44    49    51   0.28000  1.0 3.0
   40    44    49    52   0.28000  1.0 3.0
   41    40    44    46   0.28000  1.0 3.0
   41    40    44    49   0.28000  1.0 3.0
   44    46   -55    59   1.53400  1.0 1.0
   44    46   -55    59  -0.09950 -1.0 2.0
   44    46   -55    59   0.05700  1.0 3.0
   44    46    55    56   0.15000  1.0 3.0
   44    46    55    57   0.15000  1.0 3.0
   46    44    49    50   0.28000  1.0 3.0
   46    44    49    51   0.28000  1.0 3.0
   46    44    49    52   0.28000  1.0 3.0
   47    46    55    59   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   48    46    55    59   0.15000  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    57   0.15000  1.0 3.0
   55    59    64    65   0.04150 -1.0 2.0
   55    59    64    72   0.04150 -1.0 2.0
   49    44    46    47   0.28000  1.0 3.0
   49    44    46    48   0.28000  1.0 3.0
   49    44    46    55   0.58650  1.0 1.0
   49    44    46    55   0.12600 -1.0 2.0
   49    44    46    55   0.33350  1.0 3.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    72   3.62500 -1.0 2.0
   71    73   -79    67  -0.25600  1.0 1.0
   71    73   -79    67  -0.40050 -1.0 2.0
   71    73   -79    67   0.34700  1.0 3.0
   74    73    79    67   0.08050  1.0 3.0
   75    73    79    67   0.08050  1.0 3.0
   79    67    68    69   3.62500 -1.0 2.0
   79    67   -68    71   3.62500 -1.0 2.0
   58    45    53    54   7.00000 -1.0 2.0
   58    45    53    59   7.00000 -1.0 2.0
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    45    42    43  10.50000 -1.0 2.0
   42    58    45    53   1.10000 -1.0 2.0
   59    54    53    45   1.10000 -1.0 2.0
   65    72    64    59   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   68    79    67    65   4.00000 -1.0 2.0
   69    71    68    67   4.00000 -1.0 2.0
   72    70    69    68   1.10000 -1.0 2.0
   69    76    72    64   4.00000 -1.0 2.0
END
