* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    159    246     460
    1     0 S   NP   _N1_     1    28.99569    92.35162   -20.65669
    2     1 S   H    _HN1     2     1.02784    90.05427   -68.18222
    3     1 S   H    _H1_     3     1.02967   105.83803    40.81829
    4     1 S   H    _H2_     4     1.02842    19.83030   137.53241
    5     1 S   CT   _CA1     5     1.50079   127.53789   173.36333
    6     5 S   HC   _HA1     6     1.09581   105.32223    47.25521
    7     5 S   CO3  _C1_     7     1.53805   112.13174   -72.94441
    8     7 S   O2Z  _O11     8     1.26335   115.05366   -52.18568
    9     7 S   O2Z  _O12     9     1.26222   114.87770   127.10680
   10     5 S   CT   _CB1    10     1.53074   107.37801   164.96250
   11    10 S   HC   HB11    11     1.09817   109.38275   -52.60192
   12    10 S   HC   HB12    12     1.09804   110.41359    63.85350
   13    10 S   CT   _CG1    13     1.52974   112.61775  -173.81854
   14    13 S   HC   HG11    14     1.09568   110.26125   -58.83976
   15    13 S   HC   HG12    15     1.09609   110.28405    60.26498
   16    13 S   C    _CD1    16     1.51763   111.92540  -179.63203
   17    16 S   O    _OE1    17     1.22733   123.12301   -18.19541
   18    16 S   N    _N2_    18     1.38532   111.78478   162.64892
   19    18 S   H    _HN2    19     1.01597   119.01653     1.67760
   20    18 S   CT1  _CA2    20     1.46215   123.48113  -176.42319
   21    20 S   HC   _HA2    21     1.09726   109.35545   -19.09999
   22    20 S   C    _C2_    22     1.53391   108.09680  -134.88098
   23    22 S   O    _O2_    23     1.22996   122.34737  -145.41357
   24    20 S   CT   _CB2    32     1.53503   111.19030   103.17405
   25    24 S   HC   HB21    33     1.09447   109.57934    53.82728
   26    24 S   HC   HB22    34     1.09528   110.51565   172.08151
   27    22 S   N    _N3_    24     1.38537   113.26811    41.94617
   28    27 S   H    _HN3    25     1.01538   118.91624    -0.45284
   29    24 S   S    _SG2    35     1.82868   111.81497   -68.99992
   30    27 S   CT   _CA3    26     1.45446   123.40371   175.08789
   31    30 S   HC   HA31    27     1.09526   109.18472    25.34697
   32    30 S   HC   HA32    28     1.09493   107.13310   142.35275
   33    29 S   S    _S1_    36     2.05519   102.90881   152.51944
   34    30 S   CO3  _C3_    29     1.52932   113.15568   -98.08728
   35    34 S   O2Z  _O31    30     1.26399   115.42885   -43.63554
   36    34 S   O2Z  _O32    31     1.26357   114.96431   137.29939
   37    33 S   CT   _C19    37     1.86431   106.01710   -98.42942
   38    37 S   C    _C20    38     1.52680   109.19744   -63.18631
   39    38 S   O    _O36    39     1.23455   120.29826    83.45356
   40    37 S   CT   _C18    72     1.54789   111.70205    62.75251
   41    40 S   HC   _H4_    73     1.09063   114.50873   -38.49354
   42    38 S   N    _N6_    40     1.40171   115.89045   -94.67611
   43    40 S   OH   _O37    74     1.43354   110.18955  -158.87038
   44    43 S   HO   _H21    75     0.97422   108.47498    69.16287
   45    42 S   CT   _C5_    41     1.49208   122.84996    15.24124
   46    45 S   SM   _S2_    42     1.85151   112.38487    86.72991
   47    42 S   CT   _C21    82     1.46419   117.50651  -174.99986
   48    47 S   HC   _H18    83     1.09318   109.23511   123.99226
   49    47 S   HC   _H19    84     1.09336   111.83277     4.97000
   50    47 S   HC   _H20    85     1.09321   109.61071  -115.21567
   51    45 S   C    _C6_    43     1.54569   111.62657   -36.75427
   52    51 S   O    _O33    44     1.23308   122.29945  -166.76134
   53    45 S   CT   _C4_    78     1.55127   111.52124  -154.69000
   54    53 S   HC   _H5_    79     1.09709   112.99602   -62.46592
   55    53 S   HC   _H6_    80     1.09809   112.71987   176.33030
   56    53 S   HC   _H7_    81     1.09767   110.20499    57.49245
   57    37 S   N    _N4_    45     1.46748   110.43548   176.48643
   58    57 S   CP1  _C7_    46     1.46507   112.29004   -95.30457
   59    58 S   HC   _H3_    47     1.09783   109.52294   117.79796
   60    58 S   CT   _C8_    48     1.55369   104.76140    -3.18684
   61    58 S   NE   _N5_    57     1.47375   113.18981  -118.27143
   62    60 S   CA   _C9_    49     1.49694   101.76422  -139.39491
   63    61 S   CT   _C15    58     1.44540   122.74146   -77.69314
   64    63 S   HC   _H9_    59     1.09001   111.94570    33.17954
   65    63 S   HC   _H10    60     1.09520   110.98658   -87.03010
   66    63 S   HC   _H11    61     1.09346   111.26941   151.10164
   67    60 S   OH   _O38    76     1.41942   110.46674   101.28351
   68    67 S   HO   _H22    77     0.97262   108.57449    78.99698
   69    62 S   CA   _C10    50     1.38875   127.49834  -169.23998
   70    69 S   HA   _H8_    51     1.08556   120.37730     1.25086
   71    69 S   CA   _C11    52     1.39235   118.17184  -178.61464
   72    71 S   Cl   Cl1_    53     1.72679   118.50150  -179.78330
   73    71 S   CA   _C12    54     1.40440   120.24147     0.32021
   74    73 S   CA   _C13    55     1.40850   120.55591     2.74124
   75    73 S   OS   _O35    67     1.37448   119.20991   179.27882
   76    62 S   CA   _C14    56     1.40379   109.48603    13.10027
   77    74 S   OS   _O34    62     1.36970   119.70730   177.01574
   78    75 S   CT   _C17    68     1.42830   110.38728   100.93389
   79    78 S   HC   _H15    69     1.09408   107.74852  -172.83730
   80    78 S   HC   _H16    70     1.09472   111.25194    69.03432
   81    78 S   HC   _H17    71     1.09580   111.50286   -54.50116
   82    77 S   CT   _C16    63     1.42956   110.16563   -83.03032
   83    82 S   HC   _H12    64     1.09408   107.71334  -172.67335
   84    82 S   HC   _H13    65     1.09474   111.25678    69.19857
   85    82 S   HC   _H14    66     1.09600   111.48137   -54.36929
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  18  16   5  15   7  13   6   1  13   8   5   2
   1   1  10   3   4   2   1   1   8  13   6  10  11  11   5   3
   2   1   3   1   7   4   7   3   9   8   6   2   4   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    57    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    51    57    58    60    40    41    43  
   35    36  
   36  
    0  
   38    39    42    45    51    52    57    58    59    60    62    61    40    41    43    44    67    47  
   39    42    45    46    51    57    58    60    40    41    43    53    47    48    49    50  
   42    45    57    40    47  
   41    43    44    67    68    42    51    57    58    59    60    61    62    69    76  
   43    44    67    57    58    60    62  
   45    46    51    52    57    53    54    55    56    47    48    49    50  
   44    67    57    58    60    62  
   60  
   46    51    52    57    58    53    54    55    56    47    48    49    50  
   51    52    57    53    54    55    56    47  
   48    49    50    51    53  
   49    50  
   50  
    0  
   52    57    58    59    60    61    53    54    55    56  
   57    58    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    62    76    61    63    67  
   59    60    62    69    74    76    61    63    64    65    66    67    68  
   60    62    76    61    63    67  
   62    69    70    71    74    76    61    63    67    68  
   63    64    65    66    77    67    62    69    73    74    76  
   69    70    71    72    73    74    76    63    77    67    68  
   64    65    66    74    76  
   65    66    76  
   66    76  
   76  
   68    69    76  
    0  
   70    71    72    73    74    76    75  
   71    72    73    76  
   72    73    74    76    77    75    78  
   73    74    75  
   74    76    77    82    75    78    79    80    81  
   76    77    82    83    84    85    75    78  
   78    79    80    81    76    77  
   77    82  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.022500   1.9750   1.7500   0.005000000  -0.741685710
   46   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   58   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    57   337.000  1.449
   37    40   268.000  1.529
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    45   337.000  1.449
   42    47   337.000  1.449
   45    46   222.000  1.810
   45    51   317.000  1.522
   45    53   268.000  1.529
   51    52   570.000  1.229
   51    57   490.000  1.335
   57    58   337.000  1.449
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    61   382.000  1.448
   60    62   317.000  1.510
   60    40   268.000  1.529
   60    67   320.000  1.410
   62    69   469.000  1.400
   62    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   300.000  1.725
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    61   481.000  1.340
   61    63   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   75    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   67    68   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    57    80.00000  108.62000
   33    37    40    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    42    70.00000  116.60000
   37    57    51    50.00000  121.90000
   37    57    58    50.00000  118.00000
   37    40    60    58.35000  112.70000
   37    40    41    37.50000  110.70000
   37    40    43    50.00000  109.50000
   38    42    45    50.00000  121.90000
   38    42    47    50.00000  121.90000
   42    38    39    80.00000  122.90000
   42    45    46    80.00000  108.62000
   42    45    51    75.00000  110.24000
   42    45    53    70.00000  110.72300
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   45    51    52    80.00000  120.40000
   45    51    57    70.00000  116.60000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    56    37.50000  110.70000
   51    45    46    70.00000  112.33000
   51    57    58    50.00000  121.90000
   57    37    38    75.00000  110.24000
   57    51    52    80.00000  122.90000
   57    58    59    35.00000  109.50000
   57    58    60    80.00000  109.70000
   57    58    61    90.00000  107.82800
   58    60    62    70.00000  112.17500
   58    60    40    58.35000  112.70000
   58    60    67    50.00000  109.50000
   58    61    76    50.00000  120.00000
   58    61    63    50.00000  115.00000
   60    58    59    37.50000  110.70000
   60    62    69    70.00000  120.00000
   60    62    76    70.00000  120.00000
   60    40    41    37.50000  110.70000
   60    40    43    50.00000  109.50000
   60    67    68    55.00000  108.50000
   62    69    70    35.00000  120.00000
   62    69    71    63.00000  120.00000
   62    76    74    63.00000  120.00000
   62    76    61    70.00000  120.10000
   69    71    72    75.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    75.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    78    75.00000  111.00000
   74    76    61    70.00000  120.10000
   74    77    82    75.00000  111.00000
   76    62    69    63.00000  120.00000
   76    61    63    50.00000  120.00000
   61    58    59    35.00000  109.50000
   61    58    60    80.00000  111.61500
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   77    74    76    70.00000  120.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   40    37    38    63.00000  111.10000
   40    37    57    70.00000  110.72300
   40    60    62    70.00000  112.17500
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   67    60    62    90.00000  112.51600
   67    60    40    50.00000  109.50000
   53    45    46    75.00000  111.63000
   53    45    51    63.00000  111.10000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    42    45    50.00000  118.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    57   0.00000  1.0 1.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    42   0.00000  1.0 1.0
   33    37    57    51  -0.42300  1.0 1.0
   33    37    57    51  -0.07000 -1.0 2.0
   33    37    57    51   0.04150  1.0 3.0
   33    37    57    58   0.17850 -1.0 2.0
   33    37    40    60   0.44750  1.0 1.0
   33    37    40    60  -0.17800 -1.0 2.0
   33    37    40    60   0.20200  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    43   0.56750  1.0 1.0
   33    37    40    43  -0.07550 -1.0 2.0
   33    37    40    43   0.20000  1.0 3.0
   37    38    42    45   1.49850  1.0 1.0
   37    38    42    45   1.53950 -1.0 2.0
   37    38    42    47   1.49850  1.0 1.0
   37    38    42    47   1.53950 -1.0 2.0
   37    57    58    59   0.00000  1.0 1.0
   37    57   -58    60  -0.05900 -1.0 2.0
   37    57    58    61   0.17850 -1.0 2.0
   37    40    43    44  -0.11600  1.0 1.0
   37    40    43    44  -0.09450 -1.0 2.0
   37    40    43    44   0.21250  1.0 3.0
   38    37    57    51  -0.42300  1.0 1.0
   38    37    57    51  -0.07000 -1.0 2.0
   38    37    57    51   0.04150  1.0 3.0
   38    37    57    58   0.17850 -1.0 2.0
   38    37    40    60  -0.95700  1.0 1.0
   38    37    40    60  -0.18200 -1.0 2.0
   38    37    40    60   0.29450  1.0 3.0
   38    37    40    41  -0.11250  1.0 3.0
   38    37    40    43  -0.09450  1.0 1.0
   38    37    40    43  -1.12950 -1.0 2.0
   38    37    40    43   0.54000  1.0 3.0
   38    42    45    46  -0.42300  1.0 1.0
   38    42    45    46  -0.07000 -1.0 2.0
   38    42    45    46   0.04150  1.0 3.0
   38    42   -45    51  -0.42300  1.0 1.0
   38    42   -45    51  -0.07000 -1.0 2.0
   38    42   -45    51   0.04150  1.0 3.0
   38    42    45    53  -0.43950  1.0 1.0
   38    42    45    53  -0.08100 -1.0 2.0
   38    42    45    53   0.03350  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.00000  1.0 1.0
   39    38    42    45   3.04450 -1.0 2.0
   39    38    42    47   3.04450 -1.0 2.0
   42    45    51    52   0.30150 -1.0 2.0
   42    45    51    57   0.00000  1.0 1.0
   42    45    53    54   0.15000  1.0 3.0
   42    45    53    55   0.15000  1.0 3.0
   42    45    53    56   0.15000  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    50   0.00000  1.0 1.0
   45    51   -57    37   1.49850  1.0 1.0
   45    51   -57    37   1.53950 -1.0 2.0
   45    51    57    58   1.15000  1.0 1.0
   45    51    57    58   3.04450 -1.0 2.0
   46    45    51    52   0.30150 -1.0 2.0
   46    45    51    57   0.00000  1.0 1.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    56   0.15000  1.0 3.0
   51    45    53    54  -0.11250  1.0 3.0
   51    45    53    55  -0.11250  1.0 3.0
   51    45    53    56  -0.11250  1.0 3.0
   51    57    58    59   0.00000  1.0 1.0
   51    57    58    60   0.25950  1.0 1.0
   51    57    58    60   0.43850 -1.0 2.0
   51    57    58    60   2.61650  1.0 3.0
   51    57    58    61  -0.50000 -1.0 2.0
   52    51    57    37   3.04450 -1.0 2.0
   52    51    57    58   3.04450 -1.0 2.0
   57    37    38    39   0.30150 -1.0 2.0
   57    37   -38    42   0.00000  1.0 1.0
   57    37   -40    60   0.43900  1.0 1.0
   57    37   -40    60   0.49100 -1.0 2.0
   57    37   -40    60   0.28400  1.0 3.0
   57    37    40    41   0.15000  1.0 3.0
   57    37    40    43   2.76900  1.0 1.0
   57    37    40    43  -0.24350 -1.0 2.0
   57    37    40    43  -0.78250  1.0 3.0
   57    58    60    62   0.08550  1.0 1.0
   57    58    60    62   1.07500 -1.0 2.0
   57    58    60    62  -0.10950  1.0 3.0
   57    58   -60    40   0.42250  1.0 1.0
   57    58   -60    40  -0.48100 -1.0 2.0
   57    58   -60    40   0.35650  1.0 3.0
   57    58    60    67   2.76900  1.0 1.0
   57    58    60    67  -0.24350 -1.0 2.0
   57    58    60    67  -0.78250  1.0 3.0
   57    58    61    76  -0.12500  1.0 1.0
   57    58    61    76  -0.12500 -1.0 2.0
   57    58    61    76   0.25000  1.0 3.0
   57    58    61    63   0.00000  1.0 1.0
   58    60    62    69   0.04150 -1.0 2.0
   58    60   -62    76   0.04150 -1.0 2.0
   58    60   -40    37   0.56750  1.0 1.0
   58    60   -40    37  -0.07550 -1.0 2.0
   58    60   -40    37   0.20000  1.0 3.0
   58    60    40    41   0.15000  1.0 3.0
   58    60    40    43   0.86500  1.0 1.0
   58    60    40    43  -0.17500 -1.0 2.0
   58    60    40    43   0.20800  1.0 3.0
   58    60    67    68  -0.11600  1.0 1.0
   58    60    67    68  -0.09450 -1.0 2.0
   58    60    67    68   0.21250  1.0 3.0
   58    61    63    64   0.00000  1.0 1.0
   58    61    63    65   0.00000  1.0 1.0
   58    61    63    66   0.00000  1.0 1.0
   59    58    60    62   0.43200  1.0 3.0
   59    58    60    40   0.15000  1.0 3.0
   59    58    60    67   0.23400  1.0 3.0
   59    58    61    76   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   60    58   -61    76  -0.12500  1.0 1.0
   60    58   -61    76  -0.12500 -1.0 2.0
   60    58   -61    76   0.25000  1.0 3.0
   60    58    61    63   0.00000  1.0 1.0
   60    62    69    70   3.62500 -1.0 2.0
   60    62    69    71   3.62500 -1.0 2.0
   60    62    76    74   3.62500 -1.0 2.0
   60    62   -76    61   3.62500 -1.0 2.0
   60    40    43    44  -0.11600  1.0 1.0
   60    40    43    44  -0.09450 -1.0 2.0
   60    40    43    44   0.21250  1.0 3.0
   62    60    40    37  -0.03700  1.0 1.0
   62    60    40    37   0.37200 -1.0 2.0
   62    60    40    37  -0.47300  1.0 3.0
   62    60    40    41   0.43200  1.0 3.0
   62    60    40    43   1.13150  1.0 1.0
   62    60    40    43  -1.01400 -1.0 2.0
   62    60    67    68   0.31900  1.0 1.0
   62    60    67    68  -0.11800 -1.0 2.0
   62    60    67    68   0.38750  1.0 3.0
   62    69    71    72   3.62500 -1.0 2.0
   62    69    71    73   3.62500 -1.0 2.0
   62    76   -61    58  -1.00000  1.0 1.0
   62    76   -61    58   1.25000 -1.0 2.0
   62    76    61    63  -1.00000  1.0 1.0
   62    76    61    63   1.25000 -1.0 2.0
   69    62    76    74   3.62500 -1.0 2.0
   69    62    76    61   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    75    78   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    62   3.62500 -1.0 2.0
   73    74    76    61   3.62500 -1.0 2.0
   73    74    77    82   1.63200 -1.0 2.0
   73    75    78    79   0.08050  1.0 3.0
   73    75    78    80   0.08050  1.0 3.0
   73    75    78    81   0.08050  1.0 3.0
   74    73    75    78   1.63200 -1.0 2.0
   74    76    61    58  -1.00000  1.0 1.0
   74    76    61    58   1.25000 -1.0 2.0
   74    76    61    63  -1.00000  1.0 1.0
   74    76    61    63   1.25000 -1.0 2.0
   74    77    82    83   0.08050  1.0 3.0
   74    77    82    84   0.08050  1.0 3.0
   74    77    82    85   0.08050  1.0 3.0
   76    62    69    70   3.62500 -1.0 2.0
   76    62   -69    71   3.62500 -1.0 2.0
   76    74    77    82   1.63200 -1.0 2.0
   76    61    63    64   0.00000  1.0 1.0
   76    61    63    65   0.00000  1.0 1.0
   76    61    63    66   0.00000  1.0 1.0
   61    58   -60    62   0.08550  1.0 1.0
   61    58   -60    62   1.07500 -1.0 2.0
   61    58   -60    62  -0.10950  1.0 3.0
   61    58    60    40   1.26750  1.0 1.0
   61    58    60    40  -0.00950 -1.0 2.0
   61    58    60    40   0.30600  1.0 3.0
   61    58    60    67   4.07950  1.0 1.0
   61    58    60    67  -0.26450 -1.0 2.0
   61    58    60    67  -0.12150  1.0 3.0
   77    74    76    62   3.62500 -1.0 2.0
   77    74    76    61   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37    38    42   1.39750  1.0 1.0
   40    37    38    42  -0.07950 -1.0 2.0
   40    37    38    42  -0.18750  1.0 3.0
   40    37    57    51  -0.43950  1.0 1.0
   40    37    57    51  -0.08100 -1.0 2.0
   40    37    57    51   0.03350  1.0 3.0
   40    37   -57    58  -0.05900 -1.0 2.0
   40    60    62    69   0.04150 -1.0 2.0
   40    60    62    76   0.04150 -1.0 2.0
   40    60    67    68  -0.11600  1.0 1.0
   40    60    67    68  -0.09450 -1.0 2.0
   40    60    67    68   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   67    60    62    69   0.14300 -1.0 2.0
   67    60    62    69   0.00300  1.0 3.0
   67    60    62    76   0.14300 -1.0 2.0
   67    60    62    76   0.00300  1.0 3.0
   67    60    40    37   0.86500  1.0 1.0
   67    60    40    37  -0.17500 -1.0 2.0
   67    60    40    37   0.20800  1.0 3.0
   67    60    40    41   0.23400  1.0 3.0
   67    60    40    43   3.75450  1.0 1.0
   53    45    51    52   0.30150 -1.0 2.0
   53    45    51    57   1.39750  1.0 1.0
   53    45    51    57  -0.07950 -1.0 2.0
   53    45    51    57  -0.18750  1.0 3.0
   47    42    45    46   0.17850 -1.0 2.0
   47    42    45    51   0.17850 -1.0 2.0
   47    42    45    53  -0.05900 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    42    38    39  10.50000 -1.0 2.0
   47    38    42    45   1.00000 -1.0 2.0
   45    57    51    52  10.50000 -1.0 2.0
   58    51    57    37   1.00000 -1.0 2.0
   69    76    62    60   4.00000 -1.0 2.0
   71    70    69    62   1.10000 -1.0 2.0
   73    72    71    69   4.00000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   74    61    76    62   4.00000 -1.0 2.0
   63    76    61    58   1.00000 -1.0 2.0
END
