* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    167    250     497
    1     0 S   NP   _N1_     1    28.77798    95.01122   -24.17876
    2     1 S   H    _HN1     2     1.02949    79.23432    14.34783
    3     1 S   H    _H1_     3     1.02827    28.97232   178.23586
    4     1 S   H    _H2_     4     1.02785   110.36847   -91.41141
    5     1 S   CT   _CA1     5     1.50127   129.85897   121.99121
    6     5 S   HC   _HA1     6     1.09574   105.17842    84.74075
    7     5 S   CO3  _C1_     7     1.53778   112.46201   -35.45390
    8     7 S   O2Z  _O11     8     1.26373   115.00044   -42.28417
    9     7 S   O2Z  _O12     9     1.26240   114.94421   136.78084
   10     5 S   CT   _CB1    10     1.53075   107.40935  -157.30363
   11    10 S   HC   HB11    11     1.09835   109.32394   -49.79653
   12    10 S   HC   HB12    12     1.09812   110.46482    66.79643
   13    10 S   CT   _CG1    13     1.52999   112.63418  -170.77930
   14    13 S   HC   HG11    14     1.09580   110.64163   -66.51865
   15    13 S   HC   HG12    15     1.09672   109.76908    52.71559
   16    13 S   C    _CD1    16     1.51811   112.18584   173.13533
   17    16 S   O    _OE1    17     1.22737   123.27113     7.93113
   18    16 S   N    _N2_    18     1.38659   111.70831  -172.06385
   19    18 S   H    _HN2    19     1.01576   118.93110     1.39606
   20    18 S   CT1  _CA2    20     1.46188   123.37810   177.03172
   21    20 S   HC   _HA2    21     1.09743   109.36865     4.27892
   22    20 S   C    _C2_    22     1.53604   108.64506  -111.19383
   23    22 S   O    _O2_    23     1.23071   122.25971  -147.73521
   24    20 S   CT   _CB2    32     1.53492   111.69657   126.32935
   25    24 S   HC   HB21    33     1.09455   109.57166    56.15080
   26    24 S   HC   HB22    34     1.09294   109.47943   174.97098
   27    22 S   N    _N3_    24     1.38316   113.76297    39.69442
   28    27 S   H    _HN3    25     1.01574   119.60978    -3.21918
   29    24 S   S    _SG2    35     1.82818   111.17028   -64.61393
   30    27 S   CT   _CA3    26     1.45287   123.21921   177.15745
   31    30 S   HC   HA31    27     1.09549   107.50420   -64.73507
   32    30 S   HC   HA32    28     1.09557   107.99282    51.70529
   33    29 S   CT   _C7_    36     1.87285   102.14263  -172.45413
   34    30 S   CO3  _C3_    29     1.52963   114.08046   173.70770
   35    34 S   O2Z  _O31    30     1.26378   116.07287    -0.67551
   36    34 S   O2Z  _O32    31     1.26430   114.40879   179.38388
   37    33 S   CO4  _C8_    37     1.54990   106.54865  -175.52070
   38    37 S   O    _O33    38     1.22435   125.52383    38.00653
   39    33 S   CT   _C6_    70     1.56225   111.46618    62.09114
   40    39 S   HC   _H9_    71     1.09929   107.44001   -75.74624
   41    39 S   HC   _H10    72     1.09257   108.02720   173.57886
   42    33 S   CT   _C21    83     1.56874   109.69431   -59.91777
   43    42 S   HC   _H5_    84     1.09584   109.41078    64.55965
   44    37 S   OS   _O34    39     1.36268   109.93330  -145.66990
   45    42 S   CT   _C22    85     1.53113   115.20231  -174.96005
   46    45 S   HC   _H27    86     1.09460   111.62448    64.09308
   47    45 S   HC   _H28    87     1.09259   112.34803   -58.94241
   48    45 S   HC   _H29    88     1.09627   109.91580  -178.72282
   49    42 S   OH   _O39    89     1.43040   110.57054   -52.99980
   50    49 S   HO   _H30    90     0.97241   107.86021   175.61023
   51    44 S   CT   _C9_    40     1.44614   120.33529  -174.13175
   52    51 S   HC   _H4_    41     1.09671   109.73957    45.55514
   53    51 S   CO4  _C15    42     1.52265    99.28227   158.81425
   54    53 S   O    _O35    43     1.23160   121.43614   -84.97852
   55    51 S   CT   _C10    54     1.53242   110.56319   -76.98350
   56    55 S   HC   _H11    55     1.09782   107.88955    54.56875
   57    55 S   HC   _H12    56     1.09541   111.93150   -59.06705
   58    53 S   CM   _C14    44     1.48587   119.16205    89.65108
   59    58 S   CM   _C13    45     1.34240   117.09226    76.44017
   60    59 S   HC   _H17    46     1.08860   118.54801  -179.64612
   61    58 S   CT   _C16    61     1.50131   118.49775  -107.25189
   62    61 S   HC   _H18    62     1.09585   111.47206  -178.10948
   63    61 S   HC   _H19    63     1.09600   108.97773   -60.89854
   64    59 S   CT   _C12    47     1.50474   125.92117     4.33991
   65    64 S   HC   _H15    48     1.09751   112.44055    29.92882
   66    64 S   HC   _H16    49     1.09931   104.96777   143.08393
   67    61 S   OS   _O36    64     1.44142   111.49656    56.43307
   68    64 S   NT   _N4_    50     1.46632   112.64814   -97.17905
   69    67 S   CO4  _C17    65     1.36248   118.65159   115.49286
   70    69 S   O    _O37    66     1.22603   125.07436    -4.87881
   71    68 S   CT   _C11    51     1.47595   112.83594    85.78614
   72    71 S   HC   _H13    52     1.09863   107.24609   175.98122
   73    71 S   HC   _H14    53     1.09791   111.21553    60.33686
   74    68 S   CT   _C20    57     1.46809   109.85989  -152.16813
   75    74 S   HC   _H24    58     1.09588   110.76130   177.66829
   76    74 S   HC   _H25    59     1.09592   110.63842    60.15024
   77    74 S   HC   _H26    60     1.09612   112.06401   -61.05670
   78    69 S   CT   _C18    67     1.54226   111.50158   173.16979
   79    78 S   CT   _C5_    68     1.56802   114.58827    55.26895
   80    79 S   HC   _H3_    69     1.10027   106.33609   161.87660
   81    78 S   CT   _C19    77     1.53105   109.28659   -73.87362
   82    81 S   HC   _H20    78     1.09568   110.78157  -176.27374
   83    81 S   HC   _H21    79     1.09422   112.50993    61.62173
   84    81 S   HC   _H22    80     1.09677   110.78436   -58.30855
   85    78 S   OH   _O38    81     1.43846   105.66520   171.91519
   86    85 S   HO   _H23    82     0.97317   108.09033    56.92822
   87    79 S   CT   _C4_    73     1.53580   109.50657    49.21235
   88    87 S   HC   _H6_    74     1.08893   111.70011   -63.27452
   89    87 S   HC   _H7_    75     1.09011   113.06499   174.56325
   90    87 S   HC   _H8_    76     1.09592   110.61943    55.79642
  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  12   5   4   3
  19   2   1   1  14   4  17   6   5   9   6   9   5   3   2   1
   1   1  13   7  13   4   9   5   4  11  11   5   7   3   2  10
   4   3   6   7  11   4   6   2   1   3   2   1   1  12  11   6
   6   3   2   1   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    79    39    40    41    42    43    45    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    51    78    79    80    39    40    41    87    42    43    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    44    51    52    53    55    79    39    40    41    42    43    45    49  
   44    51    39    42  
   40    41    87    88    89    90    81    85    42    43    45    49    44    69    78    79    80  
   41    87    42    78    79    80  
   87    42    78    79    80  
   43    45    46    47    48    49    50    44    79  
   45    46    47    48    49    50  
   51    52    53    54    58    71    55    56    57  
   46    47    48    49    50  
   47    48    49  
   48    49  
   49  
   50  
    0  
   52    53    54    58    59    68    71    72    73    55    56    57    61  
   53    54    58    71    55    56    57  
   54    58    59    60    64    71    55    56    57    61    62    63    67  
   58    59    55    61  
   56    57    74    58    64    68    71    72    73  
   57    68    71    72    73  
   68    71    72    73  
   59    60    64    65    66    68    61    62    63    67    69  
   60    64    65    66    68    71    74    61    62    63    67  
   64    65    66    68    61  
   62    63    67    69    70    78    64  
   63    67    69  
   67    69  
   65    66    68    71    72    73    74    75    76    77  
   66    68    71    74  
   68    71    74  
   69    70    78    79    81    85  
   71    72    73    74    75    76    77  
   70    78    79    80    87    81    82    83    84    85    86  
   78    79    81    85  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    87    88    89    90    81    82    83    84    85    86  
   80    87    88    89    90    81    82    83    84    85    86  
   87    88    89    90    81    85  
   82    83    84    85    86    87  
   83    84    85  
   84    85  
   85  
   86    87  
    0  
   88    89    90  
   89    90  
   90  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   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    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   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    44   214.000  1.327
   44    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    58   320.000  1.462
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   382.000  1.448
   68    71   382.000  1.448
   68    74   382.000  1.448
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    69   214.000  1.327
   69    70   570.000  1.229
   69    78   317.000  1.522
   78    79   268.000  1.529
   78    81   268.000  1.529
   78    85   320.000  1.410
   79    80   340.000  1.090
   79    39   268.000  1.529
   79    87   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   553.000  0.945
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   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    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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    81.00000  111.40000
   33    39    79    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    45    58.35000  112.70000
   33    42    49    50.00000  109.50000
   37    44    51    83.00000  116.90000
   44    37    38    83.00000  123.40000
   44    51    52    35.00000  109.50000
   44    51    53    90.00000  108.74100
   44    51    55    50.00000  109.50000
   51    53    54    80.00000  120.40000
   51    53    58    65.00000  118.62400
   51    55    71    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    58    59    65.00000  118.96000
   53    58    61    65.00000  116.34900
   58    53    54    80.00000  123.72100
   58    59    60    35.00000  120.00000
   58    59    64    70.00000  124.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    67    85.00000  110.90400
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    75.00000  110.70900
   64    59    60    35.00000  117.00000
   64    68    71    51.80000  107.20000
   64    68    74    51.80000  107.20000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    55    56.20000  109.47000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   71    55    56    37.50000  110.70000
   71    55    57    37.50000  110.70000
   73    71    72    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    71    72    37.50000  110.70000
   55    71    73    37.50000  110.70000
   57    55    56    33.00000  107.80000
   74    68    71    51.80000  107.20000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    58    59    70.00000  124.00000
   61    67    69    83.00000  116.90000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   67    69    70    83.00000  123.40000
   67    69    78    81.00000  111.40000
   69    78    79    63.00000  111.10000
   69    78    81    63.00000  111.10000
   69    78    85    90.00000  109.61100
   78    69    70    80.00000  120.40000
   78    79    80    37.50000  110.70000
   78    79    39    58.35000  112.70000
   78    79    87    58.35000  112.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   78    85    86    55.00000  108.50000
   79    39    40    37.50000  110.70000
   79    39    41    37.50000  110.70000
   79    87    88    37.50000  110.70000
   79    87    89    37.50000  110.70000
   79    87    90    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    79    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   87    79    80    37.50000  110.70000
   87    79    39    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   81    78    79    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    78    79    50.00000  109.50000
   85    78    81    50.00000  109.50000
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   42    49    50    55.00000  108.50000
   45    42    43    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    45    50.00000  109.50000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.30150 -1.0 2.0
   29    33    37    44   0.40000  1.0 3.0
   29    33    39    79   0.44750  1.0 1.0
   29    33    39    79  -0.17800 -1.0 2.0
   29    33    39    79   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    45   0.44750  1.0 1.0
   29    33    42    45  -0.17800 -1.0 2.0
   29    33    42    45   0.20200  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    37    44    51   1.63150  1.0 1.0
   33    37    44    51   2.92000 -1.0 2.0
   33    42    45    46   0.15000  1.0 3.0
   33    42    45    47   0.15000  1.0 3.0
   33    42    45    48   0.15000  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  1.0 3.0
   37    33    39    79  -0.95700  1.0 1.0
   37    33    39    79  -0.18200 -1.0 2.0
   37    33    39    79   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    45  -0.95700  1.0 1.0
   37    33    42    45  -0.18200 -1.0 2.0
   37    33    42    45   0.29450  1.0 3.0
   37    33    42    49  -0.09450  1.0 1.0
   37    33    42    49  -1.12950 -1.0 2.0
   37    33    42    49   0.54000  1.0 3.0
   37    44    51    52   0.08050  1.0 3.0
   37    44    51    53  -1.80650  1.0 1.0
   37    44    51    53   0.63900 -1.0 2.0
   37    44    51    53   0.03650  1.0 3.0
   37    44    51    55  -0.25900  1.0 1.0
   37    44    51    55  -0.47000 -1.0 2.0
   37    44    51    55   0.11750  1.0 3.0
   38    37    44    51   3.00000 -1.0 2.0
   44    51    53    54   0.30150 -1.0 2.0
   44    51    53    58   0.65300  1.0 1.0
   44    51    53    58  -0.03850 -1.0 2.0
   44    51    53    58   0.33900  1.0 3.0
   44    51    55    71   0.62750  1.0 1.0
   44    51    55    71  -0.30950 -1.0 2.0
   44    51    55    71   0.27300  1.0 3.0
   44    51    55    56   0.23400  1.0 3.0
   44    51    55    57   0.23400  1.0 3.0
   51    53    58    59  -0.33500  1.0 1.0
   51    53    58    59   1.06600 -1.0 2.0
   51    53    58    59  -0.14000  1.0 3.0
   51    53    58    61   0.25700  1.0 1.0
   51    53    58    61   0.66200 -1.0 2.0
   51    53    58    61   0.04450  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    55    71   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   53    51    55    71  -0.95700  1.0 1.0
   53    51    55    71  -0.18200 -1.0 2.0
   53    51    55    71   0.29450  1.0 3.0
   53    51    55    56  -0.11250  1.0 3.0
   53    51    55    57  -0.11250  1.0 3.0
   53    58    59    60   7.00000 -1.0 2.0
   53    58    59    64   7.00000 -1.0 2.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    61    63   0.15000  1.0 3.0
   53    58    61    67   0.09700  1.0 1.0
   53    58    61    67   0.15600 -1.0 2.0
   53    58    61    67  -0.50800  1.0 3.0
   54    53    58    59   1.00000 -1.0 2.0
   54    53    58    61  -0.64400  1.0 1.0
   54    53    58    61   0.26850 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    68   0.90200  1.0 1.0
   58    59    64    68   0.57900 -1.0 2.0
   58    59    64    68  -0.62100  1.0 3.0
   58    61    67    69  -0.82050  1.0 1.0
   58    61    67    69   0.00600 -1.0 2.0
   58    61    67    69   0.04400  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    67   0.39000  1.0 1.0
   59    58    61    67  -0.05800 -1.0 2.0
   59    58    61    67  -0.55150  1.0 3.0
   59    64    68    71  -0.60800  1.0 1.0
   59    64    68    71   1.10050 -1.0 2.0
   59    64    68    71   0.47000  1.0 3.0
   59    64    68    74  -0.60800  1.0 1.0
   59    64    68    74   1.10050 -1.0 2.0
   59    64    68    74   0.47000  1.0 3.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    66   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   64    68    71    72   0.28000  1.0 3.0
   64    68    71    73   0.28000  1.0 3.0
   64    68    71    55   0.23450  1.0 1.0
   64    68    71    55   0.02050 -1.0 2.0
   64    68    71    55   0.25250  1.0 3.0
   64    68    74    75   0.28000  1.0 3.0
   64    68    74    76   0.28000  1.0 3.0
   64    68    74    77   0.28000  1.0 3.0
   65    64    68    71   0.28000  1.0 3.0
   65    64    68    74   0.28000  1.0 3.0
   66    64    68    71   0.28000  1.0 3.0
   66    64    68    74   0.28000  1.0 3.0
   68    71    55    51   1.53400  1.0 1.0
   68    71    55    51  -0.09950 -1.0 2.0
   68    71    55    51   0.05700  1.0 3.0
   68    71    55    56   0.15000  1.0 3.0
   68    71    55    57   0.15000  1.0 3.0
   71    68    74    75   0.28000  1.0 3.0
   71    68    74    76   0.28000  1.0 3.0
   71    68    74    77   0.28000  1.0 3.0
   72    71    55    51   0.15000  1.0 3.0
   72    71    55    56   0.15000  1.0 3.0
   72    71    55    57   0.15000  1.0 3.0
   73    71    55    51   0.15000  1.0 3.0
   73    71    55    56   0.15000  1.0 3.0
   73    71    55    57   0.15000  1.0 3.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51    53    58   0.65300  1.0 1.0
   55    51    53    58  -0.03850 -1.0 2.0
   55    51    53    58   0.33900  1.0 3.0
   74    68    71    72   0.28000  1.0 3.0
   74    68    71    73   0.28000  1.0 3.0
   74    68    71    55   0.23450  1.0 1.0
   74    68    71    55   0.02050 -1.0 2.0
   74    68    71    55   0.25250  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    64   7.00000 -1.0 2.0
   61    67    69    70   3.00000 -1.0 2.0
   61    67    69    78   1.63150  1.0 1.0
   61    67    69    78   2.92000 -1.0 2.0
   62    61    67    69   0.08050  1.0 3.0
   63    61    67    69   0.08050  1.0 3.0
   67    69    78    79   0.36750  1.0 3.0
   67    69    78    81   0.36750  1.0 3.0
   67    69    78    85   0.30750  1.0 1.0
   67    69    78    85   1.13850 -1.0 2.0
   67    69    78    85   0.38850  1.0 3.0
   69    78    79    80  -0.11250  1.0 3.0
   69    78    79    39  -0.95700  1.0 1.0
   69    78    79    39  -0.18200 -1.0 2.0
   69    78    79    39   0.29450  1.0 3.0
   69    78    79    87  -0.95700  1.0 1.0
   69    78    79    87  -0.18200 -1.0 2.0
   69    78    79    87   0.29450  1.0 3.0
   69    78    81    82  -0.11250  1.0 3.0
   69    78    81    83  -0.11250  1.0 3.0
   69    78    81    84  -0.11250  1.0 3.0
   69    78    85    86   0.91850  1.0 1.0
   69    78    85    86   0.57950  1.0 3.0
   70    69    78    79   0.30150 -1.0 2.0
   70    69    78    81   0.30150 -1.0 2.0
   70    69    78    85   0.30150 -1.0 2.0
   78    79    39    33   0.56750  1.0 1.0
   78    79    39    33  -0.07550 -1.0 2.0
   78    79    39    33   0.20000  1.0 3.0
   78    79    39    40   0.15000  1.0 3.0
   78    79    39    41   0.15000  1.0 3.0
   78    79    87    88   0.15000  1.0 3.0
   78    79    87    89   0.15000  1.0 3.0
   78    79    87    90   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   79    78    85    86  -0.11600  1.0 1.0
   79    78    85    86  -0.09450 -1.0 2.0
   79    78    85    86   0.21250  1.0 3.0
   80    79    39    33   0.15000  1.0 3.0
   80    79    39    40   0.15000  1.0 3.0
   80    79    39    41   0.15000  1.0 3.0
   80    79    87    88   0.15000  1.0 3.0
   80    79    87    89   0.15000  1.0 3.0
   80    79    87    90   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    44   0.36750  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    45   0.56750  1.0 1.0
   39    33    42    45  -0.07550 -1.0 2.0
   39    33    42    45   0.20000  1.0 3.0
   39    33    42    49   0.86500  1.0 1.0
   39    33    42    49  -0.17500 -1.0 2.0
   39    33    42    49   0.20800  1.0 3.0
   39    79    87    88   0.15000  1.0 3.0
   39    79    87    89   0.15000  1.0 3.0
   39    79    87    90   0.15000  1.0 3.0
   87    79    39    33   0.56750  1.0 1.0
   87    79    39    33  -0.07550 -1.0 2.0
   87    79    39    33   0.20000  1.0 3.0
   87    79    39    40   0.15000  1.0 3.0
   87    79    39    41   0.15000  1.0 3.0
   81    78    79    80   0.15000  1.0 3.0
   81    78    79    39   0.56750  1.0 1.0
   81    78    79    39  -0.07550 -1.0 2.0
   81    78    79    39   0.20000  1.0 3.0
   81    78    79    87   0.56750  1.0 1.0
   81    78    79    87  -0.07550 -1.0 2.0
   81    78    79    87   0.20000  1.0 3.0
   81    78    85    86  -0.11600  1.0 1.0
   81    78    85    86  -0.09450 -1.0 2.0
   81    78    85    86   0.21250  1.0 3.0
   85    78    79    80   0.23400  1.0 3.0
   85    78    79    39   0.86500  1.0 1.0
   85    78    79    39  -0.17500 -1.0 2.0
   85    78    79    39   0.20800  1.0 3.0
   85    78    79    87   0.86500  1.0 1.0
   85    78    79    87  -0.17500 -1.0 2.0
   85    78    79    87   0.20800  1.0 3.0
   85    78    81    82   0.23400  1.0 3.0
   85    78    81    83   0.23400  1.0 3.0
   85    78    81    84   0.23400  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.36750  1.0 3.0
   42    33    39    79   0.56750  1.0 1.0
   42    33    39    79  -0.07550 -1.0 2.0
   42    33    39    79   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.15000  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   45    42    49    50  -0.11600  1.0 1.0
   45    42    49    50  -0.09450 -1.0 2.0
   45    42    49    50   0.21250  1.0 3.0
   49    42    45    46   0.23400  1.0 3.0
   49    42    45    47   0.23400  1.0 3.0
   49    42    45    48   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   51    58    53    54  10.50000 -1.0 2.0
   53    61    58    59   1.10000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   67    78    69    70  10.50000 -1.0 2.0
END
