* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    255     472
    1     0 S   NP   _N1_     1    29.82550    99.16200   -15.12732
    2     1 S   H    _HN1     2     1.02774    69.44414  -129.94164
    3     1 S   H    _H1_     3     1.02973    58.83582    -1.70433
    4     1 S   H    _H2_     4     1.02829    79.08327   116.03627
    5     1 S   CT   _CA1     5     1.50130   167.92436   -29.51036
    6     5 S   HC   _HA1     6     1.09559   105.31303  -157.06768
    7     5 S   CO3  _C1_     7     1.53895   112.33497    82.55220
    8     7 S   O2Z  _O11     8     1.26358   115.05323   -41.88521
    9     7 S   O2Z  _O12     9     1.26227   114.99009   137.36001
   10     5 S   CT   _CB1    10     1.53062   107.36725   -38.95927
   11    10 S   HC   HB11    11     1.09823   109.66570   -48.95971
   12    10 S   HC   HB12    12     1.09761   110.13452    67.47822
   13    10 S   CT   _CG1    13     1.52993   112.74533  -170.00310
   14    13 S   HC   HG11    14     1.09503   110.56029   -55.96345
   15    13 S   HC   HG12    15     1.09616   110.11005    63.12655
   16    13 S   C    _CD1    16     1.51790   112.07693  -176.54849
   17    16 S   O    _OE1    17     1.22742   123.20099   -12.78429
   18    16 S   N    _N2_    18     1.38532   111.71765   167.48608
   19    18 S   H    _HN2    19     1.01573   118.92421     7.31748
   20    18 S   CT1  _CA2    20     1.45624   123.05276  -180.00000
   21    20 S   HC   _HA2    21     1.09704   109.18014    13.57311
   22    20 S   C    _C2_    22     1.52843   106.81268  -103.47817
   23    22 S   O    _O2_    23     1.22965   122.84136   -27.21830
   24    20 S   CT   _CB2    32     1.53255   112.48228   136.63515
   25    24 S   HC   HB21    33     1.09486   111.11565    56.95781
   26    24 S   HC   HB22    34     1.09571   109.73736   174.44459
   27    22 S   N    _N3_    24     1.38603   112.46857   155.84009
   28    27 S   H    _HN3    25     1.01494   119.76718     0.51396
   29    24 S   S    _SG2    35     1.82864   112.16806   -67.34829
   30    27 S   CT   _CA3    26     1.45429   122.64933   174.80190
   31    30 S   HC   HA31    27     1.09550   108.75968    33.90252
   32    30 S   HC   HA32    28     1.09474   107.19416   151.03385
   33    29 S   CT   _C9_    36     1.83929   100.40296    98.58932
   34    33 S   HC   _H4_    37     1.09560   108.79408   -39.60051
   35    30 S   CO3  _C3_    29     1.53107   113.86490   -88.84170
   36    35 S   O2Z  _O31    30     1.26357   116.00711   -25.62881
   37    35 S   O2Z  _O32    31     1.26438   114.53892   155.15026
   38    33 S   CT   _C10    38     1.53791   110.19958    79.49580
   39    38 S   HC   _H5_    39     1.09896   109.33862   -63.41916
   40    33 S   OS   _O35    71     1.43241   110.65975  -159.69470
   41    38 S   CO4  _C20    40     1.50625   111.93965  -178.94482
   42    41 S   O    _O37    41     1.22137   125.98448    33.87990
   43    40 S   CO   _C7_    72     1.42325   113.83737    97.39484
   44    43 S   HC   _H3_    73     1.09612   110.93648    53.16659
   45    41 S   OS   _O36    42     1.36306   109.77014  -148.95408
   46    43 S   CM   _C6_    74     1.47682   108.53139   174.62969
   47    46 S   HC   _H11    75     1.08056   123.81356   -59.74190
   48    45 S   CT   _C19    43     1.44406   111.31457     2.81251
   49    48 S   HC   _H7_    44     1.09432   107.26092  -104.79638
   50    46 S   CM   _C5_    76     1.33029   111.44871   120.83786
   51    38 S   CT   _C11    45     1.52619   119.36876    61.45785
   52    51 S   HC   _H6_    46     1.09630   111.03149   -87.98691
   53    50 S   CO4  _C8_    77     1.46701   106.35492    -0.26393
   54    53 S   O    _O34    78     1.21895   125.54409  -179.76261
   55    50 S   CT   _C4_    80     1.47784   130.01864   179.43317
   56    55 S   HC   _H8_    81     1.09446   110.53005   120.02279
   57    55 S   HC   _H9_    82     1.09478   111.42865     0.00000
   58    55 S   HC   _H10    83     1.09452   110.51157  -119.95790
   59    51 S   CM   _C12    47     1.50115   119.70121    39.08287
   60    59 S   HC   _H12    48     1.08145   123.72097   -61.19606
   61    43 S   OS   _O33    79     1.43013   113.28253   -70.88642
   62    59 S   CM   _C13    49     1.33763   111.93319   127.44361
   63    62 S   CT   _C14    50     1.48984   127.73421   167.84647
   64    63 S   HC   _H13    51     1.09596   111.31158     4.62512
   65    63 S   HC   _H14    52     1.09573   109.79466   122.71816
   66    63 S   CT   _C15    53     1.53224   109.22104  -116.42900
   67    66 S   HC   _H15    54     1.09719   109.28274    74.44953
   68    66 S   HC   _H16    55     1.09643   109.28572  -169.76792
   69    66 S   CT   _C16    56     1.53921   113.41176   -47.58463
   70    69 S   HC   _H17    57     1.09768   108.71022   174.45585
   71    69 S   HC   _H18    58     1.09765   108.28052   -71.09341
   72    69 S   CT   _C17    59     1.56443   113.97471    51.43698
   73    48 S   CT   _C18    60     1.54864   110.85396   130.75707
   74    72 S   CT   _C21    63     1.54636   108.93718    70.68030
   75    74 S   HC   _H20    64     1.09502   111.52054   174.60526
   76    74 S   HC   _H21    65     1.09648   110.76611    55.66802
   77    74 S   HC   _H22    66     1.09380   112.62512   -64.16429
   78    72 S   CT   _C22    67     1.54473   107.91978  -173.12197
   79    78 S   HC   _H23    68     1.09504   111.38668   179.23921
   80    78 S   HC   _H24    69     1.09529   111.82878    58.58221
   81    78 S   HC   _H25    70     1.09623   110.98054   -60.98205
   82    73 S   OH   _O38    61     1.43003   108.65608    20.80269
   83    82 S   HO   _H19    62     0.97033   109.23851  -166.89712
  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   8   5   4   3
  15   6   2   1   1  14   8   9   8   3   8   5   9   9   4  14
   7   7   8   4   6   2   4   2   1   1   9   3   1  13  11   6
   5   9   5   4  13   5   4  11  10   8   3   2   1   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    51    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    48    51    52    59    40    43    44    46    61  
   38    39    41    51    40    43  
   36    37  
   37  
    0  
   39    41    42    45    48    49    51    52    59    60    62    73    40    43  
   41    42    45    48    51    52    59    40  
   43    44    46    47    50    53    61    41    51  
   42    45    48    49    51    52    59    73  
   45    48    51  
   44    46    47    50    53    54    61    55  
   46    47    50    53    61  
   48    49    51    52    59    62    72    73    82  
   47    50    53    54    61    55    56    57    58  
   50    53    61    55  
   49    51    52    59    60    62    63    69    72    73    82    83    74    78  
   51    52    59    62    72    73    82  
   53    54    61    55    56    57    58  
   52    59    60    62    63    72    73    82  
   59    60    62    73  
   54    61    55    56    57    58  
   61    55  
   56    57    58    61  
   57    58  
   58  
    0  
   60    62    63    64    65    66    72    73    82  
   62    63    73  
    0  
   63    64    65    66    67    68    69    72    73    82    83    74    78  
   64    65    66    67    68    69    70    71    72    73    82  
   65    66    67    68    69    73  
   66    67    68    69    73  
   67    68    69    70    71    72    73    74    78  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    82    74    75    76    77    78    79    80    81  
   71    72    73    74    78  
   72    73    74    78  
   73    82    83    74    75    76    77    78    79    80    81  
   82    83    74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    51   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    73   268.000  1.529
   51    52   340.000  1.090
   51    59   317.000  1.510
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   317.000  1.510
   62    73   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    74   268.000  1.529
   72    78   268.000  1.529
   73    82   320.000  1.410
   82    83   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    61   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    53   320.000  1.462
   50    55   317.000  1.510
   53    54   570.000  1.229
   53    61   214.000  1.327
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    51    58.35000  112.70000
   33    40    43    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   38    51    48    58.35000  112.70000
   38    51    52    37.50000  110.70000
   38    51    59    70.00000  112.02700
   41    38    39    35.00000  109.50000
   41    45    48    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    48    49    35.00000  109.50000
   45    48    51    50.00000  109.50000
   45    48    73    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    59    70.00000  112.02700
   48    73    62    70.00000  112.02700
   48    73    72    58.35000  112.70000
   48    73    82    50.00000  109.50000
   51    38    39    37.50000  110.70000
   51    38    41    63.00000  111.10000
   51    48    49    37.50000  110.70000
   51    59    60    35.00000  117.00000
   51    59    62    70.00000  124.00000
   59    51    52    35.00000  109.50000
   59    62    63    70.00000  124.00000
   59    62    73    70.00000  124.00000
   62    59    60    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    66    70.00000  112.02700
   62    73    72    70.00000  112.02700
   62    73    82    90.00000  110.39200
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    74    58.35000  112.70000
   69    72    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    82    50.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   73    48    49    37.50000  110.70000
   73    48    51    58.35000  112.70000
   73    62    63    65.00000  117.92700
   73    82    83    55.00000  108.50000
   74    72    73    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    58.35000  112.70000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    46    85.00000  110.90400
   40    43    61    92.60000  111.55000
   43    46    47    35.00000  117.00000
   43    46    50    70.00000  124.00000
   43    61    53    95.00000  111.08000
   46    43    44    35.00000  109.50000
   46    50    53    65.00000  118.96000
   46    50    55    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    53    54    80.00000  123.72100
   50    53    61    90.00000  111.29400
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   61    43    44    35.00000  109.50000
   61    43    46    85.00000  110.90400
   61    53    54    83.00000  123.40000
   55    50    53    65.00000  116.34900
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    51   0.44750  1.0 1.0
   29    33    38    51  -0.17800 -1.0 2.0
   29    33    38    51   0.20200  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    38    51    48   0.56750  1.0 1.0
   33    38    51    48  -0.07550 -1.0 2.0
   33    38    51    48   0.20000  1.0 3.0
   33    38    51    52   0.15000  1.0 3.0
   33    38    51    59   0.34400  1.0 1.0
   33    38    51    59   0.09450 -1.0 2.0
   33    38    51    59   0.11100  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    46  -0.77900  1.0 1.0
   33    40    43    46  -0.36900 -1.0 2.0
   33    40    43    46   0.40400  1.0 3.0
   33    40    43    61  -0.53350  1.0 1.0
   33    40    43    61  -0.78350 -1.0 2.0
   33    40    43    61   0.33750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    51   0.15000  1.0 3.0
   34    33    40    43   0.37050  1.0 3.0
   38    33    40    43   0.06250  1.0 1.0
   38    33    40    43  -0.01100 -1.0 2.0
   38    33    40    43   0.28050  1.0 3.0
   38    41   -45    48   1.63150  1.0 1.0
   38    41   -45    48   2.92000 -1.0 2.0
   38    51    59    60   0.00000  1.0 1.0
   38    51    59    62   0.09850  1.0 1.0
   38    51    59    62   0.15250 -1.0 2.0
   38    51    59    62  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    51    48   0.15000  1.0 3.0
   39    38    51    52   0.15000  1.0 3.0
   39    38    51    59   0.15000  1.0 3.0
   41    38   -51    48  -0.95700  1.0 1.0
   41    38   -51    48  -0.18200 -1.0 2.0
   41    38   -51    48   0.29450  1.0 3.0
   41    38    51    52  -0.11250  1.0 3.0
   41    38    51    59  -0.98800  1.0 1.0
   41    38    51    59   0.48800 -1.0 2.0
   41    38    51    59   0.76800  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45   -48    51  -0.25900  1.0 1.0
   41    45   -48    51  -0.47000 -1.0 2.0
   41    45   -48    51   0.11750  1.0 3.0
   41    45    48    73  -0.25900  1.0 1.0
   41    45    48    73  -0.47000 -1.0 2.0
   41    45    48    73   0.11750  1.0 3.0
   42    41    45    48   3.00000 -1.0 2.0
   45    48   -51    38   0.62750  1.0 1.0
   45    48   -51    38  -0.30950 -1.0 2.0
   45    48   -51    38   0.27300  1.0 3.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    59   0.61850  1.0 1.0
   45    48    51    59  -0.22750 -1.0 2.0
   45    48    51    59   0.15300  1.0 3.0
   45    48    73    62   0.61850  1.0 1.0
   45    48    73    62  -0.22750 -1.0 2.0
   45    48    73    62   0.15300  1.0 3.0
   45    48    73    72   0.62750  1.0 1.0
   45    48    73    72  -0.30950 -1.0 2.0
   45    48    73    72   0.27300  1.0 3.0
   45    48    73    82   3.69350  1.0 1.0
   45    48    73    82  -1.82950 -1.0 2.0
   48    51    59    60   0.00000  1.0 1.0
   48    51   -59    62   0.09850  1.0 1.0
   48    51   -59    62   0.15250 -1.0 2.0
   48    51   -59    62  -0.50650  1.0 3.0
   48    73    82    83  -0.11600  1.0 1.0
   48    73    82    83  -0.09450 -1.0 2.0
   48    73    82    83   0.21250  1.0 3.0
   49    48    51    38   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   49    48    73    62   0.15000  1.0 3.0
   49    48    73    72   0.15000  1.0 3.0
   49    48    73    82   0.23400  1.0 3.0
   51    38    41    42   0.30150 -1.0 2.0
   51    38   -41    45   0.36750  1.0 3.0
   51    48   -73    62   0.34400  1.0 1.0
   51    48   -73    62   0.09450 -1.0 2.0
   51    48   -73    62   0.11100  1.0 3.0
   51    48    73    72   0.56750  1.0 1.0
   51    48    73    72  -0.07550 -1.0 2.0
   51    48    73    72   0.20000  1.0 3.0
   51    48    73    82   0.86500  1.0 1.0
   51    48    73    82  -0.17500 -1.0 2.0
   51    48    73    82   0.20800  1.0 3.0
   51    59    62    63   7.00000 -1.0 2.0
   51    59   -62    73   7.00000 -1.0 2.0
   52    51    59    60   0.33100  1.0 3.0
   52    51    59    62   0.00000  1.0 1.0
   59    62    63    64   0.00000  1.0 1.0
   59    62    63    65   0.00000  1.0 1.0
   59    62    63    66   0.09850  1.0 1.0
   59    62    63    66   0.15250 -1.0 2.0
   59    62    63    66  -0.50650  1.0 3.0
   59    62   -73    48   0.09850  1.0 1.0
   59    62   -73    48   0.15250 -1.0 2.0
   59    62   -73    48  -0.50650  1.0 3.0
   59    62    73    72   0.09850  1.0 1.0
   59    62    73    72   0.15250 -1.0 2.0
   59    62    73    72  -0.50650  1.0 3.0
   59    62    73    82   0.67800  1.0 1.0
   59    62    73    82   0.47050 -1.0 2.0
   59    62    73    82  -0.62500  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    73   7.00000 -1.0 2.0
   62    63    66    67   0.15000  1.0 3.0
   62    63    66    68   0.15000  1.0 3.0
   62    63    66    69   0.34400  1.0 1.0
   62    63    66    69   0.09450 -1.0 2.0
   62    63    66    69   0.11100  1.0 3.0
   62    73    82    83  -0.07800  1.0 1.0
   62    73    82    83  -0.21500 -1.0 2.0
   62    73    82    83  -0.03150  1.0 3.0
   63    62    73    48   0.46850  1.0 1.0
   63    62    73    48   0.08550 -1.0 2.0
   63    62    73    48   0.09800  1.0 3.0
   63    62    73    72   0.46850  1.0 1.0
   63    62    73    72   0.08550 -1.0 2.0
   63    62    73    72   0.09800  1.0 3.0
   63    62    73    82   0.18000  1.0 1.0
   63    62    73    82   0.16450 -1.0 2.0
   63    62    73    82   0.04450  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    74   0.56750  1.0 1.0
   66    69    72    74  -0.07550 -1.0 2.0
   66    69    72    74   0.20000  1.0 3.0
   66    69    72    78   0.56750  1.0 1.0
   66    69    72    78  -0.07550 -1.0 2.0
   66    69    72    78   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    73    48   0.56750  1.0 1.0
   69    72    73    48  -0.07550 -1.0 2.0
   69    72    73    48   0.20000  1.0 3.0
   69    72   -73    62   0.34400  1.0 1.0
   69    72   -73    62   0.09450 -1.0 2.0
   69    72   -73    62   0.11100  1.0 3.0
   69    72    73    82   0.86500  1.0 1.0
   69    72    73    82  -0.17500 -1.0 2.0
   69    72    73    82   0.20800  1.0 3.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.15000  1.0 3.0
   69    72    78    79   0.15000  1.0 3.0
   69    72    78    80   0.15000  1.0 3.0
   69    72    78    81   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    78   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    78   0.15000  1.0 3.0
   72    73    82    83  -0.11600  1.0 1.0
   72    73    82    83  -0.09450 -1.0 2.0
   72    73    82    83   0.21250  1.0 3.0
   73    48    51    38   0.56750  1.0 1.0
   73    48    51    38  -0.07550 -1.0 2.0
   73    48    51    38   0.20000  1.0 3.0
   73    48    51    52   0.15000  1.0 3.0
   73    48   -51    59   0.34400  1.0 1.0
   73    48   -51    59   0.09450 -1.0 2.0
   73    48   -51    59   0.11100  1.0 3.0
   73    62    63    64   0.34800  1.0 3.0
   73    62    63    65   0.34800  1.0 3.0
   73    62   -63    66   0.46850  1.0 1.0
   73    62   -63    66   0.08550 -1.0 2.0
   73    62   -63    66   0.09800  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    73    48   0.56750  1.0 1.0
   74    72    73    48  -0.07550 -1.0 2.0
   74    72    73    48   0.20000  1.0 3.0
   74    72    73    62   0.34400  1.0 1.0
   74    72    73    62   0.09450 -1.0 2.0
   74    72    73    62   0.11100  1.0 3.0
   74    72    73    82   0.86500  1.0 1.0
   74    72    73    82  -0.17500 -1.0 2.0
   74    72    73    82   0.20800  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72    73    48   0.56750  1.0 1.0
   78    72    73    48  -0.07550 -1.0 2.0
   78    72    73    48   0.20000  1.0 3.0
   78    72    73    62   0.34400  1.0 1.0
   78    72    73    62   0.09450 -1.0 2.0
   78    72    73    62   0.11100  1.0 3.0
   78    72    73    82   0.86500  1.0 1.0
   78    72    73    82  -0.17500 -1.0 2.0
   78    72    73    82   0.20800  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    51   0.62750  1.0 1.0
   40    33    38    51  -0.30950 -1.0 2.0
   40    33    38    51   0.27300  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.39000  1.0 1.0
   40    43    46    50  -0.05800 -1.0 2.0
   40    43    46    50  -0.55150  1.0 3.0
   40    43    61    53  -1.83450  1.0 1.0
   40    43    61    53  -0.02700 -1.0 2.0
   40    43    61    53  -0.20100  1.0 3.0
   43    46   -50    53   7.00000 -1.0 2.0
   43    46    50    55   7.00000 -1.0 2.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    50   0.00000  1.0 1.0
   44    43    61    53   0.08050  1.0 3.0
   46    43   -61    53  -0.82050  1.0 1.0
   46    43   -61    53   0.00600 -1.0 2.0
   46    43   -61    53   0.04400  1.0 3.0
   46    50    53    54   1.00000 -1.0 2.0
   46    50   -53    61  -0.56150  1.0 1.0
   46    50   -53    61   2.19150 -1.0 2.0
   46    50    55    56   0.00000  1.0 1.0
   46    50    55    57   0.00000  1.0 1.0
   46    50    55    58   0.00000  1.0 1.0
   47    46    50    53   7.00000 -1.0 2.0
   47    46    50    55   7.00000 -1.0 2.0
   50    53   -61    43   2.00000 -1.0 2.0
   53    50    55    56   0.15000  1.0 3.0
   53    50    55    57   0.15000  1.0 3.0
   53    50    55    58   0.15000  1.0 3.0
   54    53    61    43   3.00000 -1.0 2.0
   61    43    46    47   0.00000  1.0 1.0
   61    43   -46    50   0.39000  1.0 1.0
   61    43   -46    50  -0.05800 -1.0 2.0
   61    43   -46    50  -0.55150  1.0 3.0
   55    50    53    54  -0.64400  1.0 1.0
   55    50    53    54   0.26850 -1.0 2.0
   55    50    53    61  -0.15000  1.0 1.0
   55    50    53    61   0.89550 -1.0 2.0
   55    50    53    61  -0.06900  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
   36    30    35    37  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
   51    60    59    62   1.10000 -1.0 2.0
   63    73    62    59   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   53    55    50    46   1.10000 -1.0 2.0
   50    61    53    54  10.50000 -1.0 2.0
END
