* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    147    221     422
    1     0 S   NP   _N1_     1    28.62841    94.64640   -20.58018
    2     1 S   H    _HN1     2     1.02958    94.43961    23.51579
    3     1 S   H    _H1_     3     1.02840    32.94985   138.50022
    4     1 S   H    _H2_     4     1.02782    83.89176   -84.43511
    5     1 S   CT   _CA1     5     1.50101   142.72816   156.43664
    6     5 S   HC   _HA1     6     1.09570   105.30033    49.06114
    7     5 S   CO3  _C1_     7     1.53866   112.16946   -71.29728
    8     7 S   O2Z  _O11     8     1.26372   115.05067   -48.66736
    9     7 S   O2Z  _O12     9     1.26228   114.87996   130.45983
   10     5 S   CT   _CB1    10     1.53080   107.43657   167.01159
   11    10 S   HC   HB11    11     1.09823   109.59956   -49.92536
   12    10 S   HC   HB12    12     1.09829   110.29019    66.64344
   13    10 S   CT   _CG1    13     1.53038   112.62002  -170.99063
   14    13 S   HC   HG11    14     1.09601   110.38503   -58.11374
   15    13 S   HC   HG12    15     1.09616   110.16608    61.15147
   16    13 S   C    _CD1    16     1.51785   112.04278  -178.37129
   17    16 S   O    _OE1    17     1.22745   123.18556    -8.55942
   18    16 S   N    _N2_    18     1.38636   111.74792   171.27206
   19    18 S   H    _HN2    19     1.01587   119.12119     3.01519
   20    18 S   CT1  _CA2    20     1.46255   123.19533  -174.99688
   21    20 S   HC   _HA2    21     1.09738   109.34299   -12.49658
   22    20 S   C    _C2_    22     1.53304   108.67348  -128.44178
   23    22 S   O    _O2_    23     1.23012   122.19539  -146.07316
   24    20 S   CT   _CB2    32     1.53559   111.23354   109.18392
   25    24 S   HC   HB21    33     1.09437   109.56469    58.63597
   26    24 S   HC   HB22    34     1.09527   110.37017   177.46009
   27    22 S   N    _N3_    24     1.38492   113.35757    41.34030
   28    27 S   H    _HN3    25     1.01527   118.90661    -0.62370
   29    24 S   S    _SG2    35     1.82683   111.41435   -62.69242
   30    27 S   CT   _CA3    26     1.45447   123.41447   174.91735
   31    30 S   HC   HA31    27     1.09526   109.17218    25.33551
   32    30 S   HC   HA32    28     1.09493   107.12811   142.35146
   33    29 S   CT   _C22    36     1.84793   100.19762   173.60886
   34    33 S   HC   _H3_    37     1.09383   106.82618    41.86569
   35    30 S   CO3  _C3_    29     1.52944   113.21279   -98.08289
   36    35 S   O2Z  _O31    30     1.26397   115.46864   -42.40207
   37    35 S   O2Z  _O32    31     1.26364   114.93725   138.55322
   38    33 S   CM   _C18    38     1.53089   108.03786   161.90419
   39    38 S   CM   _C16    39     1.46899   113.31264    78.72020
   40    39 S   HC   _H36    40     1.08711   117.75098  -161.75626
   41    38 S   CM   _C20    52     1.36311   123.76001  -100.29309
   42    39 S   CM   _C17    41     1.34192   125.09850    16.07944
   43    41 S   CA   _C10    53     1.48542   119.93700     1.30326
   44    41 S   CA   _C11    69     1.48613   120.90948  -178.63284
   45    42 S   CO4  _C19    42     1.49143   119.56559     7.26960
   46    45 S   O    _O23    43     1.22960   121.03048   175.91942
   47    42 S   OS   _O28    47     1.38161   121.11709  -178.63327
   48    43 S   CA   _C4_    54     1.40006   119.93662  -100.18333
   49    48 S   HA   _H30    55     1.08729   120.72051     0.15323
   50    44 S   CA   _C5_    70     1.40074   120.31336    79.95518
   51    50 S   HA   _H31    71     1.08735   120.66716    -0.41307
   52    33 S   CT   _C21    44     1.52917   112.24030   -75.42082
   53    52 S   HC   _H37    45     1.09757   109.85397   171.17813
   54    52 S   HC   _H38    46     1.09462   111.33208    52.60958
   55    47 S   CT   _C25    48     1.42735   110.67568   107.69201
   56    55 S   HC   _H46    49     1.09398   107.88093  -175.75195
   57    55 S   HC   _H47    50     1.09446   111.49856    65.81362
   58    55 S   HC   _H48    51     1.09575   110.99308   -57.47800
   59    48 S   CA   _C6_    56     1.39336   120.07016   179.95154
   60    59 S   HA   _H32    57     1.08624   119.37431  -179.98022
   61    50 S   CA   _C7_    72     1.39305   120.07127   179.63738
   62    61 S   HA   _H33    73     1.08619   119.38876   179.86583
   63    59 S   CA   _C12    58     1.39561   119.69333    -0.15577
   64    61 S   CA   _C13    74     1.39553   119.65731    -0.17471
   65    63 S   CA   _C14    59     1.40010   121.19608     0.09891
   66    63 S   OH   _O24    67     1.37040   119.77356  -179.73312
   67    66 S   HO   _H49    68     0.97206   108.83627    -0.22206
   68    64 S   CA   _C15    75     1.40059   121.22408    -0.06256
   69    64 S   OH   _O25    83     1.37053   119.75456   180.00000
   70    69 S   HO   _H50    84     0.97205   108.82463     0.02798
   71    43 S   CA   _C8_    60     1.40556   120.32161    80.25787
   72    71 S   HA   _H34    61     1.08645   118.43880     0.57607
   73    65 S   OS   _O26    62     1.37046   116.18814  -179.69804
   74    44 S   CA   _C9_    76     1.40507   119.87214  -100.79725
   75    74 S   HA   _H35    77     1.08643   118.44331     0.64589
   76    68 S   OS   _O27    78     1.37062   116.07402  -179.94065
   77    73 S   CT   _C23    63     1.42273   117.02591   173.03041
   78    77 S   HC   _H40    64     1.09427   107.73949  -175.85650
   79    77 S   HC   _H41    65     1.09483   111.00689    66.50031
   80    77 S   HC   _H42    66     1.09532   111.28717   -58.04875
   81    76 S   CT   _C24    79     1.42233   117.15111   179.64834
   82    81 S   HC   _H43    80     1.09428   107.74651  -179.75371
   83    81 S   HC   _H44    81     1.09499   111.13190    62.52497
   84    81 S   HC   _H45    82     1.09502   111.15358   -62.01659
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  15  10   4  16  10  12  11   6   4   5   8
   4   8   4   2   1   1   3   2   1   1   7   3   7   3   7   7
   9   3   1   9   3   1   3   1   4   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    52    53    54    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    45    46    52    53    54    41    43    44  
   38    39    45    52    53    54    41  
   36    37  
   37  
    0  
   39    40    42    45    52    53    54    47    41    43    48    71    44    50    74  
   40    42    45    46    52    47    55    41    43    44  
   42    45    47    41  
   43    48    49    59    65    71    72    44    50    51    61    68    74    75    42    52  
   45    46    52    53    54    47    55    56    57    58  
   48    49    59    60    63    65    71    72    73    44    50    74  
   50    51    61    62    64    68    74    75    76    48    71  
   46    52    53    54    47    55  
   52    53    54    47  
   55    56    57    58    52  
   49    59    60    63    65    71    72    66  
   59    60    63    71  
   51    61    62    64    68    74    75    69  
   61    62    64    74  
   53    54  
   54  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    63    65    71    73    66    67  
   63    65    66  
   62    64    68    74    76    69    70  
   64    68    69  
   65    71    72    73    77    66    67  
   68    74    75    76    81    69    70  
   71    72    73    77    78    79    80    66    67  
   67    71    73  
    0  
   74    75    76    81    82    83    84    69    70  
   70    74    76  
    0  
   72    73    77  
   73  
   77    78    79    80  
   75    76    81  
   76  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   268.000  1.529
   38    39   380.000  1.444
   38    41   549.000  1.340
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    45   320.000  1.462
   42    47   440.000  1.360
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   47    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   41    43   320.000  1.460
   41    44   320.000  1.460
   43    48   469.000  1.400
   43    71   469.000  1.400
   48    49   367.000  1.080
   48    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    65   469.000  1.400
   63    66   450.000  1.364
   65    71   469.000  1.400
   65    73   450.000  1.364
   71    72   367.000  1.080
   73    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   66    67   553.000  0.945
   44    50   469.000  1.400
   44    74   469.000  1.400
   50    51   367.000  1.080
   50    61   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    68   469.000  1.400
   64    69   450.000  1.364
   68    74   469.000  1.400
   68    76   450.000  1.364
   74    75   367.000  1.080
   76    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    52    45    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    42    70.00000  123.01800
   38    41    43    60.00000  123.20500
   38    41    44    60.00000  123.20500
   39    42    45    65.00000  118.96000
   39    42    47    80.00000  120.01400
   42    39    40    35.00000  120.00000
   42    45    46    80.00000  123.72100
   42    45    52    65.00000  118.62400
   42    47    55    90.00000  111.18400
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    45    46    80.00000  120.40000
   54    52    53    33.00000  107.80000
   47    42    45    85.00000  116.28000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   41    38    39    70.00000  123.01800
   41    43    48    60.00000  120.93500
   41    43    71    60.00000  120.93500
   41    44    50    60.00000  120.93500
   41    44    74    60.00000  120.93500
   43    48    49    35.00000  120.00000
   43    48    59    63.00000  120.00000
   43    71    65    63.00000  120.00000
   43    71    72    35.00000  120.00000
   48    59    60    35.00000  120.00000
   48    59    63    63.00000  120.00000
   59    48    49    35.00000  120.00000
   59    63    65    63.00000  120.00000
   59    63    66    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    65    71    63.00000  120.00000
   63    65    73    70.00000  120.00000
   63    66    67    35.00000  113.00000
   65    71    72    35.00000  120.00000
   65    73    77    75.00000  111.00000
   71    43    48    63.00000  120.00000
   73    65    71    70.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    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
   66    63    65    70.00000  120.00000
   44    41    43    60.00000  122.92000
   44    50    51    35.00000  120.00000
   44    50    61    63.00000  120.00000
   44    74    68    63.00000  120.00000
   44    74    75    35.00000  120.00000
   50    61    62    35.00000  120.00000
   50    61    64    63.00000  120.00000
   61    50    51    35.00000  120.00000
   61    64    68    63.00000  120.00000
   61    64    69    70.00000  120.00000
   64    61    62    35.00000  120.00000
   64    68    74    63.00000  120.00000
   64    68    76    70.00000  120.00000
   64    69    70    35.00000  113.00000
   68    74    75    35.00000  120.00000
   68    76    81    75.00000  111.00000
   74    44    50    63.00000  120.00000
   76    68    74    70.00000  120.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    64    68    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    52    45   0.56750  1.0 1.0
   29    33    52    45  -0.07550 -1.0 2.0
   29    33    52    45   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    41    43   7.00000 -1.0 2.0
   33    38    41    44   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    52    45  -0.11250  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    54   0.15000  1.0 3.0
   38    33    52    45  -0.98800  1.0 1.0
   38    33    52    45   0.48800 -1.0 2.0
   38    33    52    45   0.76800  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    54   0.15000  1.0 3.0
   38    39   -42    45   7.00000 -1.0 2.0
   38    39    42    47   7.00000 -1.0 2.0
   38    41    43    48   0.15800  1.0 1.0
   38    41    43    48   1.85350 -1.0 2.0
   38    41    43    48  -0.48700  1.0 3.0
   38    41    43    71   0.15800  1.0 1.0
   38    41    43    71   1.85350 -1.0 2.0
   38    41    43    71  -0.48700  1.0 3.0
   38    41    44    50   0.15800  1.0 1.0
   38    41    44    50   1.85350 -1.0 2.0
   38    41    44    50  -0.48700  1.0 3.0
   38    41    44    74   0.15800  1.0 1.0
   38    41    44    74   1.85350 -1.0 2.0
   38    41    44    74  -0.48700  1.0 3.0
   39    38    41    43   7.00000 -1.0 2.0
   39    38    41    44   7.00000 -1.0 2.0
   39    42    45    46   1.00000 -1.0 2.0
   39    42    45    52  -0.33500  1.0 1.0
   39    42    45    52   1.06600 -1.0 2.0
   39    42    45    52  -0.14000  1.0 3.0
   39    42    47    55  -2.26850  1.0 1.0
   39    42    47    55   3.39050 -1.0 2.0
   40    39    42    45   7.00000 -1.0 2.0
   40    39    42    47   7.00000 -1.0 2.0
   42    45   -52    33   0.65300  1.0 1.0
   42    45   -52    33  -0.03850 -1.0 2.0
   42    45   -52    33   0.33900  1.0 3.0
   42    45    52    53   0.00000  1.0 1.0
   42    45    52    54   0.00000  1.0 1.0
   42    47    55    56   0.08050  1.0 3.0
   42    47    55    57   0.08050  1.0 3.0
   42    47    55    58   0.08050  1.0 3.0
   45    42    47    55   0.15100 -1.0 2.0
   46    45    52    33   0.30150 -1.0 2.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   52    33   -38    39   0.98200  1.0 1.0
   52    33   -38    39  -0.11900 -1.0 2.0
   52    33   -38    39   0.24250  1.0 3.0
   52    33    38    41   0.09850  1.0 1.0
   52    33    38    41   0.15250 -1.0 2.0
   52    33    38    41  -0.50650  1.0 3.0
   47    42    45    46  -0.11900  1.0 1.0
   47    42    45    46   0.76850 -1.0 2.0
   47    42    45    46   0.14100  1.0 3.0
   47    42    45    52   0.32450 -1.0 2.0
   47    42    45    52   0.17400  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    42   0.28850  1.0 1.0
   41    38    39    42   2.61350 -1.0 2.0
   41    38    39    42   0.78400  1.0 3.0
   41    43    48    49   3.62500 -1.0 2.0
   41    43    48    59   3.62500 -1.0 2.0
   41    43    71    65   3.62500 -1.0 2.0
   41    43    71    72   3.62500 -1.0 2.0
   41    44    50    51   3.62500 -1.0 2.0
   41    44    50    61   3.62500 -1.0 2.0
   41    44    74    68   3.62500 -1.0 2.0
   41    44    74    75   3.62500 -1.0 2.0
   43    41    44    50  -0.01750  1.0 1.0
   43    41    44    50  -0.32000 -1.0 2.0
   43    41    44    50   0.00600  1.0 3.0
   43    41    44    74  -0.01750  1.0 1.0
   43    41    44    74  -0.32000 -1.0 2.0
   43    41    44    74   0.00600  1.0 3.0
   43    48    59    60   3.62500 -1.0 2.0
   43    48    59    63   3.62500 -1.0 2.0
   48    43    71    65   3.62500 -1.0 2.0
   48    43    71    72   3.62500 -1.0 2.0
   48    59   -63    65   3.62500 -1.0 2.0
   48    59    63    66   3.62500 -1.0 2.0
   49    48    59    60   3.62500 -1.0 2.0
   49    48    59    63   3.62500 -1.0 2.0
   59    63    65    71   3.62500 -1.0 2.0
   59    63    65    73   3.62500 -1.0 2.0
   59    63    66    67   0.84100 -1.0 2.0
   60    59    63    65   3.62500 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   63    65   -71    43   3.62500 -1.0 2.0
   63    65    71    72   3.62500 -1.0 2.0
   63    65    73    77   1.63200 -1.0 2.0
   65    63    66    67   0.84100 -1.0 2.0
   65    73    77    78   0.08050  1.0 3.0
   65    73    77    79   0.08050  1.0 3.0
   65    73    77    80   0.08050  1.0 3.0
   71    43    48    49   3.62500 -1.0 2.0
   71    43   -48    59   3.62500 -1.0 2.0
   71    65    73    77   1.63200 -1.0 2.0
   73    65    71    43   3.62500 -1.0 2.0
   73    65    71    72   3.62500 -1.0 2.0
   66    63    65    71   3.62500 -1.0 2.0
   66    63    65    73   3.62500 -1.0 2.0
   44    41    43    48  -0.01750  1.0 1.0
   44    41    43    48  -0.32000 -1.0 2.0
   44    41    43    48   0.00600  1.0 3.0
   44    41    43    71  -0.01750  1.0 1.0
   44    41    43    71  -0.32000 -1.0 2.0
   44    41    43    71   0.00600  1.0 3.0
   44    50    61    62   3.62500 -1.0 2.0
   44    50    61    64   3.62500 -1.0 2.0
   50    44    74    68   3.62500 -1.0 2.0
   50    44    74    75   3.62500 -1.0 2.0
   50    61   -64    68   3.62500 -1.0 2.0
   50    61    64    69   3.62500 -1.0 2.0
   51    50    61    62   3.62500 -1.0 2.0
   51    50    61    64   3.62500 -1.0 2.0
   61    64    68    74   3.62500 -1.0 2.0
   61    64    68    76   3.62500 -1.0 2.0
   61    64    69    70   0.84100 -1.0 2.0
   62    61    64    68   3.62500 -1.0 2.0
   62    61    64    69   3.62500 -1.0 2.0
   64    68   -74    44   3.62500 -1.0 2.0
   64    68    74    75   3.62500 -1.0 2.0
   64    68    76    81   1.63200 -1.0 2.0
   68    64    69    70   0.84100 -1.0 2.0
   68    76    81    82   0.08050  1.0 3.0
   68    76    81    83   0.08050  1.0 3.0
   68    76    81    84   0.08050  1.0 3.0
   74    44    50    51   3.62500 -1.0 2.0
   74    44   -50    61   3.62500 -1.0 2.0
   74    68    76    81   1.63200 -1.0 2.0
   76    68    74    44   3.62500 -1.0 2.0
   76    68    74    75   3.62500 -1.0 2.0
   69    64    68    74   3.62500 -1.0 2.0
   69    64    68    76   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   45    47    42    39   1.10000 -1.0 2.0
   42    52    45    46  10.50000 -1.0 2.0
   43    44    41    38   1.10000 -1.0 2.0
   48    71    43    41   4.00000 -1.0 2.0
   59    49    48    43   1.10000 -1.0 2.0
   63    60    59    48   1.10000 -1.0 2.0
   65    66    63    59   4.00000 -1.0 2.0
   71    73    65    63   4.00000 -1.0 2.0
   65    72    71    43   1.10000 -1.0 2.0
   50    74    44    41   4.00000 -1.0 2.0
   61    51    50    44   1.10000 -1.0 2.0
   64    62    61    50   1.10000 -1.0 2.0
   68    69    64    61   4.00000 -1.0 2.0
   74    76    68    64   4.00000 -1.0 2.0
   68    75    74    44   1.10000 -1.0 2.0
END
