* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    232     459
    1     0 S   NP   _N1_     1    29.09423    94.24643   -21.18428
    2     1 S   H    _HN1     2     1.02896    90.08650    -1.35118
    3     1 S   H    _H1_     3     1.02899    33.90311   121.02124
    4     1 S   H    _H2_     4     1.02822    86.37861  -109.39781
    5     1 S   CT   _CA1     5     1.50200   144.35589   127.08325
    6     5 S   HC   _HA1     6     1.09665   104.97070    57.93697
    7     5 S   CO3  _C1_     7     1.54171   111.15164   -59.72488
    8     7 S   O2Z  _O11     8     1.26191   116.46626   -92.96320
    9     7 S   O2Z  _O12     9     1.26461   114.63967    85.69208
   10     5 S   CT   _CB1    10     1.53177   107.21375   174.27098
   11    10 S   HC   HB11    11     1.09820   109.99652   -48.22597
   12    10 S   HC   HB12    12     1.09780   110.32584    68.46703
   13    10 S   CT   _CG1    13     1.52972   111.95102  -168.89106
   14    13 S   HC   HG11    14     1.09398   110.31834   -51.90175
   15    13 S   HC   HG12    15     1.09645   110.01023    66.73939
   16    13 S   C    _CD1    16     1.51774   112.39094  -172.74196
   17    16 S   O    _OE1    17     1.22736   123.22260   -10.26451
   18    16 S   N    _N2_    18     1.38646   111.71987   170.43622
   19    18 S   H    _HN2    19     1.01509   118.85400     1.77222
   20    18 S   CT1  _CA2    20     1.46073   123.54118  -178.88794
   21    20 S   HC   _HA2    21     1.09713   108.95512     5.93406
   22    20 S   C    _C2_    22     1.53560   109.95531  -110.21809
   23    22 S   O    _O2_    23     1.23115   121.80553  -156.97637
   24    20 S   CT   _CB2    32     1.53571   111.74706   127.35492
   25    24 S   HC   HB21    33     1.09405   110.43986    66.81586
   26    24 S   HC   HB22    34     1.09573   109.91433  -176.02487
   27    22 S   N    _N3_    24     1.38133   114.27681    29.62614
   28    27 S   H    _HN3    25     1.01571   119.51390    -2.65483
   29    24 S   S    _SG2    35     1.82888   112.15038   -57.04994
   30    27 S   CT   _CA3    26     1.45286   123.30857   177.31876
   31    30 S   HC   HA31    27     1.09536   107.32180   -71.57483
   32    30 S   HC   HA32    28     1.09538   108.29882    44.90238
   33    29 S   CT   _C16    36     1.84002   100.51967   126.60086
   34    33 S   HC   _H4_    37     1.09566   106.99369    56.07423
   35    30 S   CO3  _C3_    29     1.52943   114.02132   167.38240
   36    35 S   O2Z  _O31    30     1.26367   116.04839     6.04046
   37    35 S   O2Z  _O32    31     1.26422   114.42293  -173.97429
   38    33 S   C    _C15    38     1.52925   109.47538   -63.61968
   39    38 S   O    _O34    39     1.22877   122.92285   -58.25900
   40    33 S   CT   _C17    82     1.53787   109.74326   174.36946
   41    40 S   HC   _H5_    83     1.09733   110.24359   -61.99554
   42    38 S   N    _N8_    40     1.38673   112.98340   121.98043
   43    42 S   H    _H29    41     1.01622   119.12137     3.57144
   44    40 S   CO3  _C18    84     1.54241   110.94103   179.66080
   45    44 S   O2Z  _O36    85     1.26502   114.50387    56.54392
   46    44 S   O2Z  _O35    86     1.26423   116.47164  -123.81743
   47    40 S   OH   _O37    87     1.42997   112.05112    57.12796
   48    47 S   HO   _H30    88     0.97341   107.00899   -50.40952
   49    42 S   CT1  _C8_    42     1.45803   123.10807   172.85057
   50    49 S   HC   _H3_    43     1.09413   109.42775     7.53041
   51    49 S   C    _C9_    44     1.52656   105.31016  -109.31046
   52    51 S   O    _O33    45     1.23012   122.52458   -38.25463
   53    49 S   CTD  _C7_    69     1.53260   112.15616   131.45102
   54    53 S   HC   _H13    70     1.09832   109.31046   169.38639
   55    53 S   HC   _H14    71     1.09885   108.90636    54.10908
   56    51 S   N    _N4_    46     1.38665   113.06039   143.10524
   57    56 S   H    _H15    47     1.01500   119.90136     1.39746
   58    53 S   CT   _C5_    72     1.54142   114.34248   -67.95875
   59    58 S   HC   _H9_    73     1.09536   109.11091    54.72538
   60    56 S   CT   _C10    48     1.45257   121.83839  -173.80432
   61    60 S   HC   _H16    49     1.09457   108.00445  -155.67081
   62    60 S   HC   _H17    50     1.09536   108.40735   -38.47901
   63    58 S   CT   _C4_    74     1.52971   112.27697   -65.54945
   64    63 S   HC   _H6_    75     1.09522   111.21983   -57.29988
   65    63 S   HC   _H7_    76     1.09508   110.70983  -177.24061
   66    63 S   HC   _H8_    77     1.09348   111.64562    63.46709
   67    58 S   CT   _C6_    78     1.53075   109.81434   172.34481
   68    67 S   HC   _H10    79     1.09534   111.30260    61.02980
   69    67 S   HC   _H11    80     1.09484   110.86137  -178.73005
   70    67 S   HC   _H12    81     1.09512   110.80093   -59.25957
   71    60 S   CT   _C11    51     1.52832   110.85223    81.91256
   72    71 S   HC   _H18    52     1.09680   109.06649  -164.77412
   73    71 S   HC   _H19    53     1.09676   109.72411   -48.05893
   74    71 S   CT   _C12    54     1.53358   112.17247    75.09200
   75    74 S   HC   _H20    55     1.09532   110.64303   -39.37066
   76    74 S   HC   _H21    56     1.09644   108.53594    77.82041
   77    74 S   CT   _C13    57     1.52432   111.52339  -161.71683
   78    77 S   HC   _H22    58     1.09498   111.47290  -161.59137
   79    77 S   HC   _H23    59     1.09553   111.18994   -42.84065
   80    77 S   NG   _N5_    60     1.47250   111.34981    77.18257
   81    80 S   H    _H24    61     1.02296   119.36022  -101.83193
   82    80 S   CG   _C14    62     1.38578   123.81735    79.73670
   83    82 S   NG   _N7_    63     1.37603   119.14761   179.17647
   84    83 S   H    _H27    64     1.01998   121.16183     3.16675
   85    83 S   H    _H28    65     1.02000   121.35661   179.29501
   86    82 S   NG   _N6_    66     1.38071   121.90309    -0.88514
   87    86 S   H    _H25    67     1.02000   120.74662  -178.15644
   88    86 S   H    _H26    68     1.01381   122.24016     0.07133
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  11   4   7   5  10   4   4   2   1   1   1
  13   7  11   4  13   5   4   8   4   9   8   9   5   4   7   3
   2   1   3   2   1   1   9   5   4   8   5   4   7   4   3   8
   3   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    40    41    44    45    46    47    48  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    51    53    40    41    44    47  
   42    43    49    40  
   41    44    45    46    47    48    42  
   44    45    46    47    48  
   43    49    50    51    52    56    53    54    55    58  
   49    50    51    53  
   45    46    47    48  
   46    47  
   47  
   48  
    0  
   50    51    52    56    57    60    53    54    55    58    59    63    67  
   51    52    56    53    54    55    58  
   52    56    57    60    61    62    71    53    54    55    58  
   56    57    60    53  
   54    55    58    59    63    64    65    66    67    68    69    70    56  
   55    58    59    63    67  
   58    59    63    67  
   57    60    61    62    71    72    73    74  
   60    61    62    71  
   59    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    70  
   61    62    71    72    73    74    75    76    77  
   62    71    72    73    74  
   71    72    73    74  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    86  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87    88  
   82    83    86  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86  
   86  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   81   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   82   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   83   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   84   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   87   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    43   434.000  1.010
   42    49   337.000  1.449
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   268.000  1.529
   51    52   570.000  1.229
   51    56   490.000  1.335
   56    57   434.000  1.010
   56    60   337.000  1.449
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   337.000  1.463
   80    81   434.000  1.010
   80    82   481.000  1.340
   82    83   481.000  1.340
   82    86   481.000  1.340
   83    84   434.000  1.010
   83    85   434.000  1.010
   86    87   434.000  1.010
   86    88   434.000  1.010
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    47   320.000  1.410
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    44    70.00000  109.69300
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  119.80000
   38    42    49    50.00000  121.90000
   42    38    39    80.00000  122.90000
   42    49    50    35.00000  109.50000
   42    49    51    63.00000  110.10000
   42    49    53    80.00000  109.70000
   49    42    43    38.00000  118.40000
   49    51    52    80.00000  120.40000
   49    51    56    70.00000  116.60000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    56    57    35.00000  119.80000
   51    56    60    50.00000  121.90000
   56    51    52    80.00000  122.90000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    71    70.00000  110.72300
   60    56    57    38.00000  118.40000
   60    71    72    37.50000  110.70000
   60    71    73    37.50000  110.70000
   60    71    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   71    60    61    37.50000  110.70000
   71    60    62    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    80.00000  111.20000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    35.00000  118.40000
   77    80    82    50.00000  123.20000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    70.00000  120.00000
   80    82    86    70.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  120.00000
   82    86    88    35.00000  120.00000
   85    83    84    35.00000  120.00000
   86    82    83    70.00000  120.00000
   88    86    87    35.00000  120.00000
   53    49    50    37.50000  110.70000
   53    49    51    63.00000  111.10000
   53    58    59    37.50000  110.70000
   53    58    63    58.35000  112.70000
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    70    37.50000  110.70000
   63    58    59    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    70.00000  117.00000
   40    44    46    70.00000  117.00000
   40    47    48    55.00000  108.50000
   44    40    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   47    40    41    35.00000  109.50000
   47    40    44    95.00000  109.52300
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    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    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   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
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   2.45000 -1.0 2.0
   33    38    42    49   1.15000  1.0 1.0
   33    38    42    49   3.04450 -1.0 2.0
   33    40    44    45   0.41150 -1.0 2.0
   33    40    44    46   0.41150 -1.0 2.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44  -0.30950  1.0 1.0
   38    33    40    44   1.11150 -1.0 2.0
   38    33    40    44   0.40350  1.0 3.0
   38    33    40    47  -0.09450  1.0 1.0
   38    33    40    47  -1.12950 -1.0 2.0
   38    33    40    47   0.54000  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    51  -0.29800  1.0 1.0
   38    42    49    51   0.13950 -1.0 2.0
   38    42    49    51  -2.45650  1.0 3.0
   38    42    49    53   0.25950  1.0 1.0
   38    42    49    53   0.43850 -1.0 2.0
   38    42    49    53   2.61650  1.0 3.0
   39    38    42    43   2.45000 -1.0 2.0
   39    38    42    49   3.04450 -1.0 2.0
   42    49    51    52   0.00000  1.0 1.0
   42    49    51    56   0.37150  1.0 1.0
   42    49    51    56   1.25400 -1.0 2.0
   42    49    51    56  -0.40250  1.0 3.0
   42    49    53    54   0.23200  1.0 3.0
   42    49    53    55   0.23200  1.0 3.0
   42    49    53    58   0.26400  1.0 1.0
   42    49    53    58   0.16150 -1.0 2.0
   42    49    53    58   0.25850  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.00000  1.0 1.0
   43    42    49    53   0.00000  1.0 1.0
   49    51    56    57   2.45000 -1.0 2.0
   49    51    56    60   1.15000  1.0 1.0
   49    51    56    60   3.04450 -1.0 2.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    63   0.65000  1.0 1.0
   49    53    58    63  -0.02500 -1.0 2.0
   49    53    58    63   0.10000  1.0 3.0
   49    53    58    67   0.65000  1.0 1.0
   49    53    58    67  -0.02500 -1.0 2.0
   49    53    58    67   0.10000  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    54  -0.03800  1.0 3.0
   51    49    53    55  -0.03800  1.0 3.0
   51    49    53    58  -0.45800  1.0 1.0
   51    49    53    58   0.20550 -1.0 2.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    62   0.00000  1.0 1.0
   51    56    60    71  -0.43950  1.0 1.0
   51    56    60    71  -0.08100 -1.0 2.0
   51    56    60    71   0.03350  1.0 3.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    60   3.04450 -1.0 2.0
   56    60    71    72   0.15000  1.0 3.0
   56    60    71    73   0.15000  1.0 3.0
   56    60    71    74   0.43900  1.0 1.0
   56    60    71    74   0.49100 -1.0 2.0
   56    60    71    74   0.28400  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    71   0.00000  1.0 1.0
   60    71    74    75   0.15000  1.0 3.0
   60    71    74    76   0.15000  1.0 3.0
   60    71    74    77   0.56750  1.0 1.0
   60    71    74    77  -0.07550 -1.0 2.0
   60    71    74    77   0.20000  1.0 3.0
   61    60    71    72   0.15000  1.0 3.0
   61    60    71    73   0.15000  1.0 3.0
   61    60    71    74   0.15000  1.0 3.0
   62    60    71    72   0.15000  1.0 3.0
   62    60    71    73   0.15000  1.0 3.0
   62    60    71    74   0.15000  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80   1.34550  1.0 1.0
   71    74    77    80  -0.31050 -1.0 2.0
   71    74    77    80   0.95500  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81  -0.09500  1.0 1.0
   74    77    80    81  -0.20850 -1.0 2.0
   74    77    80    81   0.20900  1.0 3.0
   74    77    80    82   0.25550 -1.0 2.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80  -0.29100  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80  -0.29100  1.0 3.0
   77    80    82    83   3.96800 -1.0 2.0
   77    80    82    86   3.96800 -1.0 2.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.08850  1.0 3.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.08850  1.0 3.0
   80    82    83    84   1.50000 -1.0 2.0
   80    82    83    85   1.50000 -1.0 2.0
   80    82    86    87   1.50000 -1.0 2.0
   80    82    86    88   1.50000 -1.0 2.0
   81    80    82    83   1.50000 -1.0 2.0
   81    80    82    86   1.50000 -1.0 2.0
   83    82    86    87   1.50000 -1.0 2.0
   83    82    86    88   1.50000 -1.0 2.0
   86    82    83    84   1.50000 -1.0 2.0
   86    82    83    85   1.50000 -1.0 2.0
   53    49    51    52   0.00000  1.0 1.0
   53    49    51    56   0.93250  1.0 1.0
   53    49    51    56   0.04450 -1.0 2.0
   53    49    51    56   0.17550  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    66   0.15000  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   63    58    67    68   0.15000  1.0 3.0
   63    58    67    69   0.15000  1.0 3.0
   63    58    67    70   0.15000  1.0 3.0
   67    58    63    64   0.15000  1.0 3.0
   67    58    63    65   0.15000  1.0 3.0
   67    58    63    66   0.15000  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   1.39750  1.0 1.0
   40    33    38    42  -0.07950 -1.0 2.0
   40    33    38    42  -0.18750  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48   0.91850  1.0 1.0
   44    40    47    48   0.57950  1.0 3.0
   47    40    44    45   0.30150 -1.0 2.0
   47    40    44    46   0.30150 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   43    38    42    49   1.00000 -1.0 2.0
   49    56    51    52  10.50000 -1.0 2.0
   57    51    56    60   1.00000 -1.0 2.0
   81    82    80    77   1.00000 -1.0 2.0
   80    83    82    86  10.50000 -1.0 2.0
   85    82    83    84   1.00000 -1.0 2.0
   87    88    86    82   1.00000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
