* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    154    240     450
    1     0 S   NP   _N1_     1    28.32797    98.76392   -23.36918
    2     1 S   H    _HN1     2     1.02947    65.88805   -21.45917
    3     1 S   H    _H1_     3     1.02829    41.85060   148.47026
    4     1 S   H    _H2_     4     1.02772   114.38473  -121.56290
    5     1 S   CT   _CA1     5     1.50181   131.70125    75.01055
    6     5 S   HC   _HA1     6     1.09575   105.17482   102.67952
    7     5 S   CO3  _C1_     7     1.53804   111.96010   -17.41667
    8     7 S   O2Z  _O11     8     1.26382   115.00324   -50.26949
    9     7 S   O2Z  _O12     9     1.26203   114.92355   128.22024
   10     5 S   CT   _CB1    10     1.53056   107.32615  -139.52455
   11    10 S   HC   HB11    11     1.09840   109.43961   -49.08789
   12    10 S   HC   HB12    12     1.09806   110.47473    67.48395
   13    10 S   CT   _CG1    13     1.53027   112.62696  -169.97605
   14    13 S   HC   HG11    14     1.09589   110.66849   -64.34225
   15    13 S   HC   HG12    15     1.09657   109.81821    54.88288
   16    13 S   C    _CD1    16     1.51869   111.93069   175.40006
   17    16 S   O    _OE1    17     1.22810   123.23293     8.99490
   18    16 S   N    _N2_    18     1.38432   111.97963  -171.44563
   19    18 S   H    _HN2    19     1.01933   119.16059     1.86225
   20    18 S   CT1  _CA2    20     1.45807   122.79328   179.46698
   21    20 S   HC   _HA2    21     1.09742   108.59788    31.49431
   22    20 S   C    _C2_    22     1.52989   107.60134   -85.84063
   23    22 S   O    _O2_    23     1.22931   123.07023   -27.24836
   24    20 S   CT   _CB2    32     1.53272   112.03888   154.54895
   25    24 S   HC   HB21    33     1.09302   109.38781    56.36709
   26    24 S   HC   HB22    34     1.09516   110.38368   174.52278
   27    22 S   N    _N3_    24     1.38674   112.26894   155.58352
   28    27 S   H    _HN3    25     1.01492   119.65812     0.86366
   29    24 S   S    _SG2    35     1.82784   110.82859   -66.15460
   30    27 S   CT   _CA3    26     1.45444   122.90973   175.18908
   31    30 S   HC   HA31    27     1.09535   108.99845    29.23331
   32    30 S   HC   HA32    28     1.09480   107.14523   146.38291
   33    29 S   CT   _C5_    36     1.87135   102.09806   152.38797
   34    30 S   CO3  _C3_    29     1.53071   113.63222   -93.79334
   35    34 S   O2Z  _O31    30     1.26378   115.86145   -30.05309
   36    34 S   O2Z  _O32    31     1.26422   114.65935   150.87356
   37    33 S   CT   _C4_    37     1.55842   104.56412   176.85882
   38    37 S   HC   _H6_    38     1.09657   110.85636   -57.20994
   39    37 S   HC   _H7_    39     1.09522   111.53465    60.99686
   40    33 S   CT   _C17    76     1.55772   108.85136    58.12610
   41    40 S   HC   _H19    77     1.09557   111.72251   -57.14968
   42    40 S   HC   _H20    78     1.09653   110.12911  -175.36409
   43    37 S   S    _S1_    40     1.83054   114.63031  -176.98059
   44    40 S   OS   _O40    79     1.43893   111.01192    64.05719
   45    43 S   C4T  _C7_    41     1.82619    97.04559   -56.05239
   46    45 S   HC   _H4_    42     1.09484   113.99263   -81.67909
   47    44 S   CO4  _C18    80     1.36123   115.89008   162.33365
   48    47 S   O    _O41    81     1.22603   125.56676     3.10980
   49    45 S   C4T  _C8_    43     1.57458   115.66067   142.77750
   50    45 S   N4   _N4_    46     1.45279   110.05148    46.14621
   51    47 S   N    _N7_    82     1.36770   110.25867  -176.18710
   52    51 S   H    _H21    83     1.01585   120.77308   176.34264
   53    51 S   H    _H22    84     1.01296   121.27089    -0.04423
   54    49 S   C4   _C9_    44     1.57004    84.27481  -113.36872
   55    54 S   O    _O33    45     1.20958   137.06354  -179.92087
   56    33 S   CT1  _C6_    47     1.55985   111.89591   -62.77733
   57    56 S   HC   _H3_    48     1.09829   108.66269    78.94458
   58    49 S   N    _N5_    52     1.48706   115.11166    -0.62558
   59    58 S   H    _H8_    53     1.01742   118.47773    18.76795
   60    49 S   OH   _O37    74     1.44360   114.45626   134.44627
   61    60 S   HO   _H18    75     0.97174   104.37136   -82.75594
   62    56 S   CO3  _C16    49     1.54881   116.43450   -40.98039
   63    62 S   O2Z  _O39    50     1.26235   116.12295   -67.95016
   64    62 S   O2Z  _O38    51     1.26569   114.63333   112.12333
   65    58 S   C    _C10    54     1.38367   123.52023  -159.27944
   66    65 S   O    _O34    55     1.22817   125.13559    -2.86211
   67    65 S   CT   _C11    56     1.51469   113.16576   177.26720
   68    67 S   HC   _H9_    57     1.09646   107.78155   168.94474
   69    67 S   HC   _H10    58     1.09628   108.94476    52.83935
   70    67 S   CT   _C12    59     1.52988   111.75711   -69.59074
   71    70 S   HC   _H11    60     1.09577   109.73011    67.59455
   72    70 S   HC   _H12    61     1.09654   109.23247   -48.97159
   73    70 S   CT   _C13    62     1.53361   110.81871  -170.38554
   74    73 S   HC   _H13    63     1.09825   108.50024    64.94842
   75    73 S   HC   _H14    64     1.09750   109.15682   -50.02294
   76    73 S   CT   _C14    65     1.53333   115.02656  -172.93109
   77    76 S   HC   _H5_    66     1.09768   107.43682  -170.62005
   78    76 S   CO3  _C15    67     1.54257   116.53340    71.53145
   79    78 S   O2Z  _O36    68     1.26084   116.43284    14.09412
   80    78 S   O2Z  _O35    69     1.26637   114.14430  -166.43673
   81    76 S   NP   _N6_    70     1.49928   109.16545   -57.96402
   82    81 S   H    _H15    71     1.02729   112.66123   -50.47390
   83    81 S   H    _H16    72     1.02919   109.88913  -171.08527
   84    81 S   H    _H17    73     1.03140   111.23519    71.63195
  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
  17   2   1   1  14   5   4  11   4   3   8   6  13   6   4   3
  11   9   2   1   1   9   3   4   3   9   4   2   1   2   1   1
   8   4   9   5   4   9   5   4  11   5   4   8   7   6   2   1
   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    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    56    57    62    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    50    56    57    62    63    64    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    50    56    57    62    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    51    43    50    56    57    62  
   42    44    47    56  
   44    47    56  
   45    46    49    54    50    56    58    60  
   47    48    51    52    53    56  
   46    49    54    55    50    56    57    62    58    59    65    60    61  
   49    54    50    56    58    60  
   48    51    52    53  
   51    52    53  
   54    55    50    56    58    59    65    66    67    60    61  
   56    57    62    63    64    58    60    54    55  
   52    53  
   53  
    0  
   55    56    57    62    58    59    65    60    61  
   56    58    60  
   57    62    63    64  
   62    63    64  
   59    65    66    67    68    69    70    60    61  
   65    66    67    60  
   61    65  
    0  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    73  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    81  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    78    81  
   76    77    78    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   0.047500   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   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.309900   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.1200   0.1700  -0.641400   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   79   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   80   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   81   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.210000   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    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    50   305.000  1.456
   49    54   250.000  1.540
   49    58   337.000  1.449
   49    60   375.000  1.409
   54    55   930.000  1.212
   54    50   440.000  1.369
   50    56   337.000  1.449
   56    57   340.000  1.090
   56    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   317.000  1.522
   76    81   367.000  1.471
   78    79   656.000  1.250
   78    80   656.000  1.250
   81    82   434.000  1.010
   81    83   434.000  1.010
   81    84   434.000  1.010
   60    61   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    51   435.000  1.380
   51    52   434.000  1.010
   51    53   434.000  1.010
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    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    50    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    49    60    75.00000  115.88000
   45    50    54   100.00000   93.00000
   45    50    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    50    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    65    50.00000  121.90000
   49    60    61    65.00000  107.00000
   54    50    56    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    49   105.00000   87.49700
   50    54    55    75.00000  131.60000
   50    56    57    35.00000  109.50000
   50    56    62    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    62    63    70.00000  117.00000
   56    62    64    70.00000  117.00000
   62    56    57    35.00000  109.50000
   64    62    63    80.00000  126.00000
   58    49    54    75.00000  110.24000
   58    65    66    80.00000  122.90000
   58    65    67    70.00000  116.60000
   65    58    59    35.00000  119.80000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    63.00000  111.10000
   67    65    66    80.00000  120.40000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    70.00000  109.69300
   73    76    81    80.00000  111.20000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    78    79    70.00000  117.00000
   76    78    80    70.00000  117.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   78    76    77    35.00000  109.50000
   80    78    79    80.00000  126.00000
   81    76    77    35.00000  109.50000
   81    76    78    80.00000  109.26000
   83    81    82    35.00000  109.50000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   60    49    54    95.00000  109.52300
   60    49    58    95.00000  111.01700
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    51   110.00000  108.75700
   47    51    52    50.00000  116.34900
   47    51    53    50.00000  116.34900
   51    47    48    85.00000  125.96000
   53    51    52    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    50   0.71400  1.0 1.0
   29    33    56    50   0.04300 -1.0 2.0
   29    33    56    50   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62  -2.17200  1.0 1.0
   29    33    56    62  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   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    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    62    63   0.00000  1.0 1.0
   33    56    62    64   0.00000  1.0 1.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    56    50   0.42250  1.0 1.0
   37    33    56    50  -0.48100 -1.0 2.0
   37    33    56    50   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    62  -0.84850  1.0 1.0
   37    33    56    62  -0.22800 -1.0 2.0
   37    33    56    62   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45    49    60   0.00000  1.0 1.0
   43    45   -50    54   0.00000  1.0 1.0
   43    45    50    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    50   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    65  -0.43950  1.0 1.0
   45    49    58    65  -0.08100 -1.0 2.0
   45    49    58    65   0.03350  1.0 3.0
   45    49    60    61  -0.32000  1.0 1.0
   45    49    60    61  -0.87650 -1.0 2.0
   45    49    60    61   0.09100  1.0 3.0
   45    50   -56    33   0.00000  1.0 1.0
   45    50    56    57   0.00000  1.0 1.0
   45    50    56    62   0.00000  1.0 1.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45    49    60   0.00000  1.0 1.0
   46    45   -50    54   0.00000  1.0 1.0
   46    45    50    56   0.00000  1.0 1.0
   49    45   -50    54   0.00000  1.0 1.0
   49    45    50    56   0.00000  1.0 1.0
   49    54   -50    45   3.00000 -1.0 2.0
   49    54   -50    56   3.00000 -1.0 2.0
   49    58    65    66   3.04450 -1.0 2.0
   49    58    65    67   1.49850  1.0 1.0
   49    58    65    67   1.53950 -1.0 2.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    65  -0.42300  1.0 1.0
   54    49    58    65  -0.07000 -1.0 2.0
   54    49    58    65   0.04150  1.0 3.0
   54    49    60    61   0.91850  1.0 1.0
   54    49    60    61   0.57950  1.0 3.0
   54    50    56    33   0.00000  1.0 1.0
   54    50    56    57   0.00000  1.0 1.0
   54    50    56    62   0.00000  1.0 1.0
   55    54   -50    45   3.00000 -1.0 2.0
   55    54    50    56   3.00000 -1.0 2.0
   50    45   -49    54   3.00000 -1.0 2.0
   50    45    49    58   2.20050  1.0 1.0
   50    45    49    58   0.63450 -1.0 2.0
   50    45    49    58  -0.91300  1.0 3.0
   50    45    49    60   2.76900  1.0 1.0
   50    45    49    60  -0.24350 -1.0 2.0
   50    45    49    60  -0.78250  1.0 3.0
   50    56    62    63   0.00000  1.0 1.0
   50    56    62    64   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.62750  1.0 1.0
   56    33    40    44  -0.30950 -1.0 2.0
   56    33    40    44   0.27300  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    50   0.00000  1.0 1.0
   58    49    60    61   0.09550  1.0 1.0
   58    49    60    61   0.17350 -1.0 2.0
   58    49    60    61  -0.55000  1.0 3.0
   58    65    67    68   0.00000  1.0 1.0
   58    65    67    69   0.00000  1.0 1.0
   58    65    67    70   1.39750  1.0 1.0
   58    65    67    70  -0.07950 -1.0 2.0
   58    65    67    70  -0.18750  1.0 3.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    67   2.45000 -1.0 2.0
   65    67    70    71  -0.11250  1.0 3.0
   65    67    70    72  -0.11250  1.0 3.0
   65    67    70    73  -0.95700  1.0 1.0
   65    67    70    73  -0.18200 -1.0 2.0
   65    67    70    73   0.29450  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78  -1.63150  1.0 1.0
   70    73    76    78  -0.43550 -1.0 2.0
   70    73    76    78   0.24500  1.0 3.0
   70    73    76    81   1.36600  1.0 1.0
   70    73    76    81  -0.11450 -1.0 2.0
   70    73    76    81   0.24250  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    78    79   0.41150 -1.0 2.0
   73    76    78    80   0.41150 -1.0 2.0
   73    76    81    82   0.17350  1.0 3.0
   73    76    81    83   0.17350  1.0 3.0
   73    76    81    84   0.17350  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78  -0.11250  1.0 3.0
   74    73    76    81   0.19200  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78  -0.11250  1.0 3.0
   75    73    76    81   0.19200  1.0 3.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    81    82   0.13050  1.0 3.0
   77    76    81    83   0.13050  1.0 3.0
   77    76    81    84   0.13050  1.0 3.0
   78    76    81    82   0.17350  1.0 3.0
   78    76    81    83   0.17350  1.0 3.0
   78    76    81    84   0.17350  1.0 3.0
   81    76    78    79   0.30150 -1.0 2.0
   81    76    78    80   0.30150 -1.0 2.0
   60    49    54    55   0.30150 -1.0 2.0
   60    49   -54    50   0.00000  1.0 1.0
   60    49    58    59   0.00000  1.0 1.0
   60    49    58    65  -5.15550  1.0 1.0
   60    49    58    65  -0.87850 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    50   0.42250  1.0 1.0
   40    33    56    50  -0.48100 -1.0 2.0
   40    33    56    50   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    62  -0.84850  1.0 1.0
   40    33    56    62  -0.22800 -1.0 2.0
   40    33    56    62   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    51  -0.80800  1.0 1.0
   40    44    47    51   2.06850 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    51    52   2.56700 -1.0 2.0
   44    47    51    53   2.56700 -1.0 2.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    53   2.45000 -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
   49    50    54    55  10.50000 -1.0 2.0
   56    54    50    45   1.00000 -1.0 2.0
   63    56    62    64  10.50000 -1.0 2.0
   59    65    58    49   1.00000 -1.0 2.0
   58    67    65    66  10.50000 -1.0 2.0
   79    76    78    80  10.50000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   53    47    51    52   1.00000 -1.0 2.0
END
