* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    159    249     470
    1     0 S   NP   _N1_     1    29.00413    93.40358   -23.17765
    2     1 S   H    _HN1     2     1.02777   105.10989   -68.54905
    3     1 S   H    _H1_     3     1.02966    86.95740    39.60283
    4     1 S   H    _H2_     4     1.02823    22.95248  -168.97468
    5     1 S   CT   _CA1     5     1.50148   130.03854   153.79549
    6     5 S   HC   _HA1     6     1.09580   105.20102    73.74639
    7     5 S   CO3  _C1_     7     1.53774   112.44427   -46.30911
    8     7 S   O2Z  _O11     8     1.26351   115.02667   -42.14033
    9     7 S   O2Z  _O12     9     1.26255   114.91867   136.94604
   10     5 S   CT   _CB1    10     1.53068   107.34399  -168.47928
   11    10 S   HC   HB11    11     1.09822   109.14427   -51.60592
   12    10 S   HC   HB12    12     1.09830   110.44420    64.83863
   13    10 S   CT   _CG1    13     1.53019   112.82173  -172.84563
   14    13 S   HC   HG11    14     1.09595   110.30082   -65.00965
   15    13 S   HC   HG12    15     1.09640   110.14641    54.25775
   16    13 S   C    _CD1    16     1.51786   112.18816   174.34369
   17    16 S   O    _OE1    17     1.22718   123.18256    -8.27201
   18    16 S   N    _N2_    18     1.38630   111.81137   172.42656
   19    18 S   H    _HN2    19     1.01589   119.10224     0.27554
   20    18 S   CT1  _CA2    20     1.46096   123.16627  -179.29114
   21    20 S   HC   _HA2    21     1.09585   109.17951   -15.02337
   22    20 S   C    _C2_    22     1.53394   108.51206  -130.16931
   23    22 S   O    _O2_    23     1.23019   122.24062  -146.24643
   24    20 S   CT   _CB2    32     1.53431   111.78695   107.47061
   25    24 S   HC   HB21    33     1.09654   109.58323    60.49807
   26    24 S   HC   HB22    34     1.09570   110.94893   177.86797
   27    22 S   N    _N3_    24     1.38513   113.36716    41.30234
   28    27 S   H    _HN3    25     1.01524   118.93687    -0.50513
   29    24 S   S    _SG2    35     1.82842   114.62883   -59.32585
   30    27 S   CT   _CA3    26     1.45429   123.25616   174.90319
   31    30 S   HC   HA31    27     1.09540   108.94944    29.13889
   32    30 S   HC   HA32    28     1.09487   107.16563   146.12794
   33    29 S   CT   _C23    36     1.82961    99.71694   -69.77994
   34    33 S   HC   _H3_    37     1.09067   106.00482   -58.29968
   35    33 S   HC   _H4_    38     1.09099   108.40589    59.43306
   36    30 S   CO3  _C3_    29     1.52967   113.45445   -94.10535
   37    36 S   O2Z  _O31    30     1.26378   115.60078   -39.09556
   38    36 S   O2Z  _O32    31     1.26389   114.83956   141.87604
   39    33 S   CT   _C15    39     1.52499   111.32482  -178.60900
   40    39 S   HC   _H34    40     1.09783   110.64840    44.37008
   41    39 S   CO4  _C8_    41     1.51509   111.31607   -76.52897
   42    41 S   O    _O23    42     1.22169   125.78294    71.02906
   43    41 S   OS   _O25    43     1.36698   110.55222  -108.93638
   44    43 S   CT   _C14    44     1.43651   111.08397     2.95022
   45    44 S   HC   _H33    45     1.09522   106.82319  -138.84687
   46    44 S   CO4  _C7_    46     1.52509   107.45314   105.11189
   47    46 S   O    _O22    47     1.23308   121.79831   -14.66622
   48    39 S   CT   _C16    61     1.53811   117.40028   168.20248
   49    48 S   HC   _H35    62     1.10449   102.15429  -160.49301
   50    46 S   CT   _C13    48     1.52649   118.30156   161.19260
   51    50 S   HC   _H32    49     1.09781   107.16541   154.41435
   52    50 S   CT   _C12    50     1.53384   111.17954    34.61846
   53    52 S   HC   _H31    51     1.09950   108.13499   -71.72086
   54    50 S   CT   _C21    81     1.52962   108.16239   -89.50079
   55    54 S   HC   _H43    82     1.09549   111.41873    66.58650
   56    54 S   HC   _H44    83     1.09581   110.79012   -52.78075
   57    54 S   HC   _H45    84     1.09408   111.42040  -172.48522
   58    52 S   CM   _C5_    52     1.50615   115.31738   171.02594
   59    58 S   HC   _H29    53     1.08221   122.93876    43.72520
   60    58 S   CM   _C4_    54     1.33422   114.55687  -141.90831
   61    60 S   HC   _H28    55     1.07536   128.74351  -175.88082
   62    60 S   CO4  _C6_    56     1.47110   105.64708     3.99660
   63    62 S   O    _O21    57     1.22232   122.64618  -172.26074
   64    52 S   CT   _C18    58     1.55477   113.99391    51.18849
   65    64 S   CT   _C17    59     1.54916   112.23755   -95.18030
   66    65 S   HC   _H36    60     1.09692   108.67220  -178.75275
   67    64 S   CT   _C22    77     1.54109   115.08601    36.16856
   68    67 S   HC   _H46    78     1.08883   113.31545   -67.04957
   69    67 S   HC   _H47    79     1.09663   110.71568   172.03188
   70    67 S   HC   _H48    80     1.09698   111.67562    53.73895
   71    65 S   OS   _O26    63     1.46651   105.70056   -63.91346
   72    71 S   CO4  _C11    64     1.36114   117.86996  -145.58682
   73    72 S   O    _O24    65     1.21885   126.71599    -1.72010
   74    72 S   CM   _C9_    66     1.48153   107.09631   177.82651
   75    74 S   HC   _H30    67     1.08771   115.08173   -21.58995
   76    74 S   CM   _C10    68     1.34545   125.44729   159.53922
   77    76 S   CT   _C19    69     1.50715   119.81158   177.42306
   78    77 S   HC   _H37    70     1.09498   110.32036   118.37609
   79    77 S   HC   _H38    71     1.09520   112.44306    -1.78991
   80    77 S   HC   _H39    72     1.09505   110.16578  -121.78420
   81    76 S   CT   _C20    73     1.50339   126.15105    -3.29978
   82    81 S   HC   _H40    74     1.09454   110.14840   105.35601
   83    81 S   HC   _H41    75     1.09170   113.52105   -16.66582
   84    81 S   HC   _H42    76     1.09582   110.12015  -135.42230
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  13   6  14   5  10
   4  14   8  19   8   5   2   1   1   8   4   6   3   9   3   8
   9   3   4   2   1   1   5   6   3  10   3   8   7   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    65    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    64    65    66    48    49    71  
   41    42    43    44    65    48    49  
   42    43    44    45    46    65    48    49  
   43    44    48  
   44    45    46    47    50    65    48    49  
   45    46    47    50    51    52    64    65    66    48    49    71    54  
   46    47    50    65    48    49  
   47    50    51    52    53    58    64    65    48    49    54    55    56    57  
   50    51    52    48    54  
   49    71    72    67    50    52    62    64    65    66  
   71    64    65    66  
   51    52    53    58    59    60    62    64    65    67    54    55    56    57  
   52    53    58    64    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    67    68    69    70    54    55    56    57  
   58    59    60    62    64    65    67    54  
   55    56    57    58    64  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    67  
   60    61    62    64  
   61    62    63    64    65    67  
   62    63    64  
   63    64    65    66    71    67    68    69    70  
   64    65    67  
   65    66    71    72    67    68    69    70  
   66    71    72    73    74    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75    76    77    81  
   74    75    76  
   75    76    77    78    79    80    81    82    83    84  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.522
   44    48   268.000  1.529
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    58   317.000  1.510
   52    64   268.000  1.529
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   320.000  1.462
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    48   268.000  1.529
   65    71   320.000  1.410
   48    49   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    65    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    90.00000  108.74100
   43    44    48    50.00000  109.50000
   44    46    47    80.00000  120.40000
   44    46    50    70.00000  116.00000
   44    48    65    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    35.00000  109.50000
   46    50    52    63.00000  111.10000
   46    50    54    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    52    53    37.50000  110.70000
   50    52    58    70.00000  112.02700
   50    52    64    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    35.00000  117.00000
   52    58    60    70.00000  124.00000
   52    64    62    63.00000  111.10000
   52    64    65    58.35000  112.70000
   52    64    67    58.35000  112.70000
   58    52    53    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    62    65.00000  118.96000
   60    58    59    35.00000  120.00000
   60    62    63    80.00000  123.72100
   60    62    64    65.00000  118.62400
   62    60    61    40.00000  117.72500
   62    64    65    63.00000  111.10000
   62    64    67    63.00000  111.10000
   64    52    53    37.50000  110.70000
   64    52    58    70.00000  112.02700
   64    62    63    80.00000  120.40000
   64    65    66    37.50000  110.70000
   64    65    48    58.35000  112.70000
   64    65    71    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    48    49    37.50000  110.70000
   65    71    72    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    63.00000  111.10000
   48    65    66    37.50000  110.70000
   71    65    66    35.00000  109.50000
   71    65    48    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    40.00000  117.72500
   72    74    76    65.00000  118.96000
   74    72    73    80.00000  123.72100
   74    76    77    70.00000  124.00000
   74    76    81    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   67    64    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    65   0.56750  1.0 1.0
   33    39    48    65  -0.07550 -1.0 2.0
   33    39    48    65   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    65   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    65  -0.95700  1.0 1.0
   41    39    48    65  -0.18200 -1.0 2.0
   41    39    48    65   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -1.80650  1.0 1.0
   41    43    44    46   0.63900 -1.0 2.0
   41    43    44    46   0.03650  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.30150 -1.0 2.0
   43    44    46    50   0.55300  1.0 1.0
   43    44    46    50   1.25850 -1.0 2.0
   43    44    46    50  -0.23600  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    65   0.62750  1.0 1.0
   43    44    48    65  -0.30950 -1.0 2.0
   43    44    48    65   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.00000  1.0 1.0
   44    46    50    52   0.60050  1.0 1.0
   44    46    50    52   0.05600 -1.0 2.0
   44    46    50    52   0.26150  1.0 3.0
   44    46    50    54   0.60050  1.0 1.0
   44    46    50    54   0.05600 -1.0 2.0
   44    46    50    54   0.26150  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    65   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39  -0.95700  1.0 1.0
   46    44    48    39  -0.18200 -1.0 2.0
   46    44    48    39   0.29450  1.0 3.0
   46    44    48    65  -0.95700  1.0 1.0
   46    44    48    65  -0.18200 -1.0 2.0
   46    44    48    65   0.29450  1.0 3.0
   46    44    48    49  -0.11250  1.0 3.0
   46    50    52    53  -0.11250  1.0 3.0
   46    50    52    58  -0.98800  1.0 1.0
   46    50    52    58   0.48800 -1.0 2.0
   46    50    52    58   0.76800  1.0 3.0
   46    50    52    64  -0.95700  1.0 1.0
   46    50    52    64  -0.18200 -1.0 2.0
   46    50    52    64   0.29450  1.0 3.0
   46    50    54    55  -0.11250  1.0 3.0
   46    50    54    56  -0.11250  1.0 3.0
   46    50    54    57  -0.11250  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.30150 -1.0 2.0
   47    46    50    54   0.30150 -1.0 2.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60   0.09850  1.0 1.0
   50    52    58    60   0.15250 -1.0 2.0
   50    52    58    60  -0.50650  1.0 3.0
   50    52    64    62  -0.95700  1.0 1.0
   50    52    64    62  -0.18200 -1.0 2.0
   50    52    64    62   0.29450  1.0 3.0
   50    52    64    65   0.56750  1.0 1.0
   50    52    64    65  -0.07550 -1.0 2.0
   50    52    64    65   0.20000  1.0 3.0
   50    52    64    67   0.56750  1.0 1.0
   50    52    64    67  -0.07550 -1.0 2.0
   50    52    64    67   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    52    64   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58   -60    62   7.00000 -1.0 2.0
   52    64    65    66   0.15000  1.0 3.0
   52    64    65    48   0.56750  1.0 1.0
   52    64    65    48  -0.07550 -1.0 2.0
   52    64    65    48   0.20000  1.0 3.0
   52    64    65    71   0.62750  1.0 1.0
   52    64    65    71  -0.30950 -1.0 2.0
   52    64    65    71   0.27300  1.0 3.0
   52    64    67    68   0.15000  1.0 3.0
   52    64    67    69   0.15000  1.0 3.0
   52    64    67    70   0.15000  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    64    62  -0.11250  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    67   0.15000  1.0 3.0
   58    52   -64    62  -0.98800  1.0 1.0
   58    52   -64    62   0.48800 -1.0 2.0
   58    52   -64    62   0.76800  1.0 3.0
   58    52    64    65   0.34400  1.0 1.0
   58    52    64    65   0.09450 -1.0 2.0
   58    52    64    65   0.11100  1.0 3.0
   58    52    64    67   0.34400  1.0 1.0
   58    52    64    67   0.09450 -1.0 2.0
   58    52    64    67   0.11100  1.0 3.0
   58    60    62    63   1.00000 -1.0 2.0
   58    60   -62    64  -0.33500  1.0 1.0
   58    60   -62    64   1.06600 -1.0 2.0
   58    60   -62    64  -0.14000  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62   -64    52   0.65300  1.0 1.0
   60    62   -64    52  -0.03850 -1.0 2.0
   60    62   -64    52   0.33900  1.0 3.0
   60    62    64    65   0.65300  1.0 1.0
   60    62    64    65  -0.03850 -1.0 2.0
   60    62    64    65   0.33900  1.0 3.0
   60    62    64    67   0.65300  1.0 1.0
   60    62    64    67  -0.03850 -1.0 2.0
   60    62    64    67   0.33900  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.04550  1.0 1.0
   61    60    62    64   0.83000 -1.0 2.0
   61    60    62    64  -0.04000  1.0 3.0
   62    64    65    66  -0.11250  1.0 3.0
   62    64    65    48  -0.95700  1.0 1.0
   62    64    65    48  -0.18200 -1.0 2.0
   62    64    65    48   0.29450  1.0 3.0
   62    64    65    71  -0.09450  1.0 1.0
   62    64    65    71  -1.12950 -1.0 2.0
   62    64    65    71   0.54000  1.0 3.0
   62    64    67    68  -0.11250  1.0 3.0
   62    64    67    69  -0.11250  1.0 3.0
   62    64    67    70  -0.11250  1.0 3.0
   63    62    64    52   0.30150 -1.0 2.0
   63    62    64    65   0.30150 -1.0 2.0
   63    62    64    67   0.30150 -1.0 2.0
   64    52    58    59   0.00000  1.0 1.0
   64    52   -58    60   0.09850  1.0 1.0
   64    52   -58    60   0.15250 -1.0 2.0
   64    52   -58    60  -0.50650  1.0 3.0
   64    65    48    39   0.56750  1.0 1.0
   64    65    48    39  -0.07550 -1.0 2.0
   64    65    48    39   0.20000  1.0 3.0
   64    65    48    44   0.56750  1.0 1.0
   64    65    48    44  -0.07550 -1.0 2.0
   64    65    48    44   0.20000  1.0 3.0
   64    65    48    49   0.15000  1.0 3.0
   64    65    71    72  -0.25900  1.0 1.0
   64    65    71    72  -0.47000 -1.0 2.0
   64    65    71    72   0.11750  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71    72    73   3.00000 -1.0 2.0
   65    71    72    74   2.00000 -1.0 2.0
   66    65    48    39   0.15000  1.0 3.0
   66    65    48    44   0.15000  1.0 3.0
   66    65    48    49   0.15000  1.0 3.0
   66    65    71    72   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.30150 -1.0 2.0
   48    44    46    50   0.60050  1.0 1.0
   48    44    46    50   0.05600 -1.0 2.0
   48    44    46    50   0.26150  1.0 3.0
   48    65    71    72  -0.25900  1.0 1.0
   48    65    71    72  -0.47000 -1.0 2.0
   48    65    71    72   0.11750  1.0 3.0
   71    65    48    39   0.62750  1.0 1.0
   71    65    48    39  -0.30950 -1.0 2.0
   71    65    48    39   0.27300  1.0 3.0
   71    65    48    44   0.62750  1.0 1.0
   71    65    48    44  -0.30950 -1.0 2.0
   71    65    48    44   0.27300  1.0 3.0
   71    65    48    49   0.23400  1.0 3.0
   71    72    74    75   1.63100 -1.0 2.0
   71    72    74    76  -0.56150  1.0 1.0
   71    72    74    76   2.19150 -1.0 2.0
   72    74    76    77   7.00000 -1.0 2.0
   72    74    76    81   7.00000 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   1.00000 -1.0 2.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    80   0.00000  1.0 1.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    83   0.00000  1.0 1.0
   74    76    81    84   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    48   0.56750  1.0 1.0
   67    64    65    48  -0.07550 -1.0 2.0
   67    64    65    48   0.20000  1.0 3.0
   67    64    65    71   0.62750  1.0 1.0
   67    64    65    71  -0.30950 -1.0 2.0
   67    64    65    71   0.27300  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    58   0.34400  1.0 1.0
   54    50    52    58   0.09450 -1.0 2.0
   54    50    52    58   0.11100  1.0 3.0
   54    50    52    64   0.56750  1.0 1.0
   54    50    52    64  -0.07550 -1.0 2.0
   54    50    52    64   0.20000  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    50    46    47  10.50000 -1.0 2.0
   52    59    58    60   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
END
