* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    157    245     461
    1     0 S   NP   _N1_     1    29.08036    90.99931   -22.84109
    2     1 S   H    _HN1     2     1.02779    98.04298   -94.09788
    3     1 S   H    _H1_     3     1.02960   106.50988    17.80140
    4     1 S   H    _H2_     4     1.02839    11.02277   112.17431
    5     1 S   CT   _CA1     5     1.50104   120.23324   144.24680
    6     5 S   HC   _HA1     6     1.09572   105.25113    52.93033
    7     5 S   CO3  _C1_     7     1.53736   112.39152   -67.33902
    8     7 S   O2Z  _O11     8     1.26361   115.01396   -44.12546
    9     7 S   O2Z  _O12     9     1.26232   114.92388   135.16994
   10     5 S   CT   _CB1    10     1.53083   107.45089   170.87975
   11    10 S   HC   HB11    11     1.09824   109.31565   -50.71550
   12    10 S   HC   HB12    12     1.09823   110.42030    65.82757
   13    10 S   CT   _CG1    13     1.53017   112.70579  -171.83319
   14    13 S   HC   HG11    14     1.09598   110.44759   -63.61361
   15    13 S   HC   HG12    15     1.09646   110.02845    55.62787
   16    13 S   C    _CD1    16     1.51810   112.24546   175.92427
   17    16 S   O    _OE1    17     1.22719   123.24296    -3.55066
   18    16 S   N    _N2_    18     1.38595   111.63896   176.69530
   19    18 S   H    _HN2    19     1.01580   119.04184     1.27272
   20    18 S   CT1  _CA2    20     1.46250   123.40976  -178.79504
   21    20 S   HC   _HA2    21     1.09726   109.43607    -9.30610
   22    20 S   C    _C2_    22     1.53424   108.37407  -125.04702
   23    22 S   O    _O2_    23     1.23019   122.24301  -145.88792
   24    20 S   CT   _CB2    32     1.53323   111.28369   112.75474
   25    24 S   HC   HB21    33     1.09502   109.69795    56.11929
   26    24 S   HC   HB22    34     1.09519   110.62345   174.81148
   27    22 S   N    _N3_    24     1.38507   113.40895    41.45169
   28    27 S   H    _HN3    25     1.01519   118.91545    -0.58215
   29    24 S   S    _SG2    35     1.82787   111.68145   -65.62355
   30    27 S   CT   _CA3    26     1.45456   123.50787   175.22886
   31    30 S   HC   HA31    27     1.09518   109.32198    22.80161
   32    30 S   HC   HA32    28     1.09498   107.10031   139.81049
   33    29 S   CT   _C21    36     1.87012    99.49599   162.82883
   34    33 S   HC   _H5_    37     1.08707   103.75667    21.75553
   35    30 S   CO3  _C3_    29     1.52916   113.05532  -100.74051
   36    35 S   O2Z  _O31    30     1.26407   115.37516   -45.19965
   37    35 S   O2Z  _O32    31     1.26351   115.00347   135.73132
   38    33 S   CM   _C20    38     1.51672   105.30682   135.06752
   39    38 S   CMA  _C19    39     1.35299   124.54162    98.74623
   40    39 S   OM   _O36    40     1.26439   130.20573  -177.33215
   41    38 S   OS   _O35    78     1.39294   114.81564   -77.21759
   42    39 S   CT   _C18    41     1.52442   119.24182     3.49788
   43    42 S   HC   _H21    42     1.09704   107.29569   118.28471
   44    42 S   HC   _H22    43     1.10150   109.75657  -127.73367
   45    41 S   CT   _C22    79     1.42576   110.95238   -87.76776
   46    45 S   HC   _H23    80     1.09401   107.82854  -171.43787
   47    45 S   HC   _H24    81     1.09363   110.89404    70.67385
   48    45 S   HC   _H25    82     1.09541   111.78085   -52.81392
   49    42 S   CT   _C17    44     1.55301   116.96943    -6.36901
   50    49 S   HC   _H4_    45     1.09843   105.32158   -84.40028
   51    49 S   CT   _C16    46     1.54064   112.13642   159.05297
   52    51 S   HC   _H3_    47     1.09863   109.34243    53.89772
   53    33 S   CT   _C7_    59     1.57947   115.17016   -99.52307
   54    51 S   CT   _C15    48     1.54134   110.14016   -62.46138
   55    54 S   HC   _H19    49     1.09878   109.66671  -159.62352
   56    54 S   HC   _H20    50     1.09801   108.95536    85.26358
   57    53 S   CT   _C6_    60     1.56055   112.66508    47.68235
   58    57 S   HC   _H11    61     1.09706   110.56902    66.85088
   59    57 S   HC   _H12    62     1.09436   110.87776   -50.72235
   60    51 S   NT   _N4_    66     1.48208   113.19782   173.60585
   61    54 S   CA   _C9_    51     1.51455   115.09342   -36.14272
   62    57 S   CT   _C5_    63     1.53585   113.42410  -170.59280
   63    62 S   HC   _H9_    64     1.09797   109.15270   172.99196
   64    62 S   HC   _H10    65     1.09622   109.84450   -73.58630
   65    60 S   CT   _C4_    67     1.46321   112.28624   -74.34459
   66    65 S   HC   _H6_    68     1.09561   110.70447   -54.86154
   67    65 S   HC   _H7_    69     1.09551   110.09217  -171.99671
   68    65 S   HC   _H8_    70     1.09436   113.29500    66.98831
   69    61 S   CA   _C10    52     1.40675   116.56735  -176.08543
   70    69 S   HA   _H13    53     1.08827   119.89787    -3.49418
   71    69 S   CA   _C11    54     1.39147   121.26554   175.45080
   72    71 S   HA   _H14    55     1.08480   118.08238  -179.86878
   73    71 S   CA   _C12    56     1.38927   119.52734    -2.04746
   74    73 S   CA   _C13    57     1.40837   119.28649     2.17457
   75    73 S   OS   _O34    73     1.37260   125.22795  -176.91726
   76    61 S   CA   _C8_    58     1.41717   122.96231     1.99567
   77    74 S   OH   _O33    71     1.37253   117.33436  -174.23904
   78    77 S   HO   _H15    72     0.97376   107.73653    -2.70059
   79    75 S   CT   _C14    74     1.42277   116.97850    -1.98584
   80    79 S   HC   _H16    75     1.09427   107.73083  -179.04100
   81    79 S   HC   _H17    76     1.09494   111.10362    63.24997
   82    79 S   HC   _H18    77     1.09500   111.16718   -61.28901
  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
  18   7   2   1   1  14  10   5   6  11   5   4   3   2   1   1
  16   7  17   8  14  11   5   4  10   6   5   8   8   7   2   1
   3   2   1   1   7   4   7   3   9   5   6   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    76    53    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    49    50    51    61    74    76    53    57    58    59    62    41    45  
   38    39    49    76    53    57    41  
   36    37  
   37  
    0  
   39    40    42    43    44    49    76    53    57    41    45    46    47    48  
   40    42    43    44    49    50    51    53    41    45  
   42    43    44    49    41  
   45    46    47    48    42    53  
   43    44    49    50    51    52    54    76    53    57    60  
   44    49    50    51    53  
   49    50    51    53  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    54    55    56    61    74    76    53    57    58    59    62    60    65  
   51    52    54    76    53    57    60  
   52    54    55    56    61    69    76    53    57    62    63    64    60    65    66    67    68  
   54    55    56    61    53    62    60    65  
   57    58    59    62    63    64    60    77    54    61    69    73    74    76  
   55    56    61    69    70    71    74    76    62    60    65  
   56    61    69    76    60  
   61    69    76    60  
   58    59    62    63    64    60    65    61    74    76  
   59    62    63    64    60    76  
   62    63    64    60    76  
   65    66    67    68    61    62    63    64  
   69    70    71    72    73    74    76    77  
   63    64    65    66    67    68    76  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    76    75  
   71    72    73    76  
   72    73    74    76    77    75    79  
   73    74    75  
   74    76    77    78    75    79    80    81    82  
   76    77    78    75    79  
   79    80    81    82    76    77  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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  1.510
   33    53   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    60   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   317.000  1.510
   61    69   469.000  1.400
   61    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    53   317.000  1.510
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    60   382.000  1.448
   60    65   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   77    78   553.000  0.945
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   41    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    53    49    58.35000  112.70000
   33    53    76    70.00000  112.17500
   33    53    57    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    45    90.00000  111.18400
   39    42    43    45.00000  110.52000
   39    42    44    45.00000  110.52000
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    37.50000  110.70000
   42    49    51    58.35000  112.70000
   42    49    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    51    60    56.20000  109.47000
   49    53    76    70.00000  112.17500
   49    53    57    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    61    70.00000  112.17500
   51    60    62    51.80000  107.20000
   51    60    65    51.80000  107.20000
   54    51    52    37.50000  110.70000
   54    61    69    70.00000  120.00000
   54    61    76    70.00000  120.00000
   56    54    55    33.00000  107.80000
   61    54    55    35.00000  109.50000
   61    54    56    35.00000  109.50000
   61    69    70    35.00000  120.00000
   61    69    71    63.00000  120.00000
   61    76    74    63.00000  120.00000
   61    76    53    70.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    53    70.00000  120.00000
   74    77    78    35.00000  113.00000
   76    61    69    63.00000  120.00000
   76    53    57    70.00000  112.17500
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    62    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    60    56.20000  109.47000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    60    65    51.80000  107.20000
   64    62    63    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    54    56.20000  109.47000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   77    74    76    70.00000  120.00000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    76   0.56750  1.0 1.0
   29    33    53    76  -0.07550 -1.0 2.0
   29    33    53    76   0.20000  1.0 3.0
   29    33    53    57   0.44750  1.0 1.0
   29    33    53    57  -0.17800 -1.0 2.0
   29    33    53    57   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    45   2.00000 -1.0 2.0
   33    53    57    58   0.15000  1.0 3.0
   33    53    57    59   0.15000  1.0 3.0
   33    53    57    62   0.56750  1.0 1.0
   33    53    57    62  -0.07550 -1.0 2.0
   33    53    57    62   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    76   0.43200  1.0 3.0
   34    33    53    57   0.15000  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    76   0.21200  1.0 1.0
   38    33    53    76   0.16900 -1.0 2.0
   38    33    53    76  -1.15100  1.0 3.0
   38    33    53    57   0.34400  1.0 1.0
   38    33    53    57   0.09450 -1.0 2.0
   38    33    53    57   0.11100  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39    42    44   0.00000  1.0 1.0
   38    39   -42    49   0.09850  1.0 1.0
   38    39   -42    49   0.15250 -1.0 2.0
   38    39   -42    49  -0.50650  1.0 3.0
   38    41    45    46   0.08050  1.0 3.0
   38    41    45    47   0.08050  1.0 3.0
   38    41    45    48   0.08050  1.0 3.0
   39    38    41    45  -2.26850  1.0 1.0
   39    38    41    45   3.39050 -1.0 2.0
   39    42    49    50   0.15000  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   39    42    49    53   0.34400  1.0 1.0
   39    42    49    53   0.09450 -1.0 2.0
   39    42    49    53   0.11100  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    54   0.56750  1.0 1.0
   42    49    51    54  -0.07550 -1.0 2.0
   42    49    51    54   0.20000  1.0 3.0
   42    49    51    60   1.53400  1.0 1.0
   42    49    51    60  -0.09950 -1.0 2.0
   42    49    51    60   0.05700  1.0 3.0
   42    49   -53    33   0.56750  1.0 1.0
   42    49   -53    33  -0.07550 -1.0 2.0
   42    49   -53    33   0.20000  1.0 3.0
   42    49    53    76  -0.03700  1.0 1.0
   42    49    53    76   0.37200 -1.0 2.0
   42    49    53    76  -0.47300  1.0 3.0
   42    49    53    57   0.56750  1.0 1.0
   42    49    53    57  -0.07550 -1.0 2.0
   42    49    53    57   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   44    42    49    50   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   44    42    49    53   0.15000  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51    54    61  -0.03700  1.0 1.0
   49    51    54    61   0.37200 -1.0 2.0
   49    51    54    61  -0.47300  1.0 3.0
   49    51    60    62   0.23450  1.0 1.0
   49    51    60    62   0.02050 -1.0 2.0
   49    51    60    62   0.25250  1.0 3.0
   49    51    60    65   0.58650  1.0 1.0
   49    51    60    65   0.12600 -1.0 2.0
   49    51    60    65   0.33350  1.0 3.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53   -57    62   0.56750  1.0 1.0
   49    53   -57    62  -0.07550 -1.0 2.0
   49    53   -57    62   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    51    60   0.15000  1.0 3.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    76   0.43200  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   51    49    53    33   0.56750  1.0 1.0
   51    49    53    33  -0.07550 -1.0 2.0
   51    49    53    33   0.20000  1.0 3.0
   51    49    53    76  -0.03700  1.0 1.0
   51    49    53    76   0.37200 -1.0 2.0
   51    49    53    76  -0.47300  1.0 3.0
   51    49    53    57   0.56750  1.0 1.0
   51    49    53    57  -0.07550 -1.0 2.0
   51    49    53    57   0.20000  1.0 3.0
   51    54    61    69   0.04150 -1.0 2.0
   51    54   -61    76   0.04150 -1.0 2.0
   51    60    65    66   0.28000  1.0 3.0
   51    60    65    67   0.28000  1.0 3.0
   51    60    65    68   0.28000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    61   0.43200  1.0 3.0
   52    51    60    62   0.28000  1.0 3.0
   52    51    60    65   0.28000  1.0 3.0
   54    51    60    62   0.23450  1.0 1.0
   54    51    60    62   0.02050 -1.0 2.0
   54    51    60    62   0.25250  1.0 3.0
   54    51    60    65   0.58650  1.0 1.0
   54    51    60    65   0.12600 -1.0 2.0
   54    51    60    65   0.33350  1.0 3.0
   54    61    69    70   3.62500 -1.0 2.0
   54    61    69    71   3.62500 -1.0 2.0
   54    61    76    74   3.62500 -1.0 2.0
   54    61    76    53   3.62500 -1.0 2.0
   55    54    61    69   0.00000  1.0 1.0
   55    54    61    76   0.00000  1.0 1.0
   56    54    61    69   0.00000  1.0 1.0
   56    54    61    76   0.00000  1.0 1.0
   61    69    71    72   3.62500 -1.0 2.0
   61    69    71    73   3.62500 -1.0 2.0
   61    76    53    33   0.04150 -1.0 2.0
   61    76   -53    49   0.04150 -1.0 2.0
   61    76    53    57   0.04150 -1.0 2.0
   69    61    76    74   3.62500 -1.0 2.0
   69    61    76    53   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    61   3.62500 -1.0 2.0
   73    74    76    53   3.62500 -1.0 2.0
   73    74    77    78   0.84100 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    76    53    33   0.04150 -1.0 2.0
   74    76    53    49   0.04150 -1.0 2.0
   74    76    53    57   0.04150 -1.0 2.0
   76    61    69    70   3.62500 -1.0 2.0
   76    61   -69    71   3.62500 -1.0 2.0
   76    74    77    78   0.84100 -1.0 2.0
   76    53    57    58   0.43200  1.0 3.0
   76    53    57    59   0.43200  1.0 3.0
   76    53    57    62  -0.03700  1.0 1.0
   76    53    57    62   0.37200 -1.0 2.0
   76    53    57    62  -0.47300  1.0 3.0
   53    33   -38    39   0.09850  1.0 1.0
   53    33   -38    39   0.15250 -1.0 2.0
   53    33   -38    39  -0.50650  1.0 3.0
   53    33    38    41   0.09700  1.0 1.0
   53    33    38    41   0.15600 -1.0 2.0
   53    33    38    41  -0.50800  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49   -51    54   0.56750  1.0 1.0
   53    49   -51    54  -0.07550 -1.0 2.0
   53    49   -51    54   0.20000  1.0 3.0
   53    49    51    60   1.53400  1.0 1.0
   53    49    51    60  -0.09950 -1.0 2.0
   53    49    51    60   0.05700  1.0 3.0
   53    57    62    63   0.15000  1.0 3.0
   53    57    62    64   0.15000  1.0 3.0
   53    57   -62    60   1.53400  1.0 1.0
   53    57   -62    60  -0.09950 -1.0 2.0
   53    57   -62    60   0.05700  1.0 3.0
   57    62   -60    51   0.23450  1.0 1.0
   57    62   -60    51   0.02050 -1.0 2.0
   57    62   -60    51   0.25250  1.0 3.0
   57    62    60    65   0.58650  1.0 1.0
   57    62    60    65   0.12600 -1.0 2.0
   57    62    60    65   0.33350  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    60   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    60   0.15000  1.0 3.0
   62    60    65    66   0.28000  1.0 3.0
   62    60    65    67   0.28000  1.0 3.0
   62    60    65    68   0.28000  1.0 3.0
   63    62    60    51   0.28000  1.0 3.0
   63    62    60    65   0.28000  1.0 3.0
   64    62    60    51   0.28000  1.0 3.0
   64    62    60    65   0.28000  1.0 3.0
   60    51    54    55   0.15000  1.0 3.0
   60    51    54    56   0.15000  1.0 3.0
   60    51    54    61   0.83750  1.0 1.0
   60    51    54    61   0.32200 -1.0 2.0
   60    51    54    61   0.70600  1.0 3.0
   77    74    76    61   3.62500 -1.0 2.0
   77    74    76    53   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   69    76    61    54   4.00000 -1.0 2.0
   71    70    69    61   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   74    53    76    61   4.00000 -1.0 2.0
END
