* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    150    239     436
    1     0 S   NP   _N1_     1    28.36979    97.17624   -19.93536
    2     1 S   H    _HN1     2     1.02859    46.94022   140.27584
    3     1 S   H    _H1_     3     1.02825    84.27067   -99.02051
    4     1 S   H    _H2_     4     1.02952    77.01083    11.02539
    5     1 S   CT   _CA1     5     1.50089   157.15292   123.93537
    6     5 S   HC   _HA1     6     1.09596   105.23620    72.49399
    7     5 S   CO3  _C1_     7     1.53619   112.04420   -47.36200
    8     7 S   O2Z  _O11     8     1.26356   115.64987   -59.86453
    9     7 S   O2Z  _O12     9     1.26326   115.21856   119.44743
   10     5 S   CT   _CB1    10     1.53117   107.34865  -170.13590
   11    10 S   HC   HB11    11     1.09831   109.28005   -52.64381
   12    10 S   HC   HB12    12     1.09812   110.53623    63.81159
   13    10 S   CT   _CG1    13     1.53041   112.63294  -173.72427
   14    13 S   HC   HG11    14     1.09617   110.45744   -62.48043
   15    13 S   HC   HG12    15     1.09644   110.01198    56.69507
   16    13 S   C    _CD1    16     1.51876   112.14762   176.98819
   17    16 S   O    _OE1    17     1.22745   123.21089    -3.70042
   18    16 S   N    _N2_    18     1.38519   111.77189   176.36978
   19    18 S   H    _HN2    19     1.01538   119.07832     5.31257
   20    18 S   CT1  _CA2    20     1.45928   122.97245   178.57179
   21    20 S   HC   _HA2    21     1.09726   109.10425    19.16335
   22    20 S   C    _C2_    22     1.52889   107.03106   -97.85244
   23    22 S   O    _O2_    23     1.22974   123.03072   -25.20922
   24    20 S   CT   _CB2    32     1.53328   112.06729   142.24109
   25    24 S   HC   HB21    33     1.09433   109.48388    54.63888
   26    24 S   HC   HB22    34     1.09401   109.93187   173.44309
   27    22 S   N    _N3_    24     1.38483   112.54084   157.56677
   28    27 S   H    _HN3    25     1.01662   120.34109    -2.35451
   29    24 S   S    _SG2    35     1.82809   110.52252   -65.94838
   30    27 S   CT   _CA3    26     1.45349   122.51703   178.41971
   31    30 S   HC   HA31    27     1.09566   107.87856   -54.32282
   32    30 S   HC   HA32    28     1.09559   107.55673    62.02627
   33    29 S   CT   _C7_    36     1.87978   101.95676  -175.91659
   34    30 S   CO3  _C3_    29     1.52889   114.30203  -176.25519
   35    34 S   O2Z  _O31    30     1.26335   116.06115     0.41684
   36    34 S   O2Z  _O32    31     1.26433   114.41072  -179.62675
   37    33 S   CT   _C8_    37     1.56242   110.80702   -57.03378
   38    37 S   HC   _H12    38     1.09504   111.34767    65.20970
   39    37 S   HC   _H13    39     1.09756   109.81222  -177.91512
   40    33 S   CM   _C6_    75     1.53131   106.66867    65.69382
   41    40 S   HC   _H11    76     1.09021   115.63801    51.74403
   42    37 S   S    _S1_    40     1.82704   116.23052   -57.40472
   43    40 S   CM   _C5_    77     1.34344   127.85206  -127.97666
   44    43 S   HC   _H10    78     1.08503   120.99568    -0.40445
   45    42 S   C4T  _C9_    41     1.82903    97.39674   -55.82800
   46    45 S   HC   _H3_    42     1.09441   114.49483   -84.54629
   47    43 S   CT   _C4_    79     1.49464   123.49089   179.60534
   48    47 S   HC   _H7_    80     1.09431   109.83927  -120.40377
   49    47 S   HC   _H8_    81     1.09452   112.41942     0.03426
   50    47 S   HC   _H9_    82     1.09427   109.86225   120.52275
   51    45 S   C4T  _C10    43     1.55738   114.57947   139.85583
   52    51 S   HC   _H4_    44     1.09658   113.32614   142.43987
   53    45 S   N4   _N4_    47     1.45823   110.58921    43.83533
   54    51 S   C4   _C11    45     1.54745    85.11381  -104.76939
   55    54 S   O    _O33    46     1.20927   135.83726   171.47785
   56    33 S   CT1  _C12    48     1.56640   110.09375  -176.28648
   57    56 S   HC   _H5_    49     1.10293   105.12655   178.52223
   58    51 S   N    _N5_    53     1.47828   117.18299     9.63241
   59    58 S   H    _H14    54     1.01797   118.51270    -9.73630
   60    56 S   CO3  _C13    50     1.55370   122.52668   -65.79291
   61    60 S   O2Z  _O35    51     1.26046   116.97991    19.26202
   62    60 S   O2Z  _O34    52     1.26731   114.16909  -160.37714
   63    58 S   C    _C14    55     1.38667   123.05240   171.91646
   64    63 S   O    _O36    56     1.22914   124.63035    -2.45400
   65    63 S   CT1  _C15    57     1.52399   112.76560   176.93784
   66    65 S   HC   _H6_    58     1.09708   107.45335   -47.33759
   67    65 S   CA   _C16    59     1.51221   112.27344    73.91644
   68    65 S   NP   _N6_    71     1.49439   110.24614  -160.65783
   69    68 S   H    _H20    72     1.03034   111.10391    60.59258
   70    68 S   H    _H21    73     1.02744   112.36254   -60.37039
   71    68 S   H    _H22    74     1.03124   110.63838   178.19311
   72    67 S   CA   _C17    60     1.40353   119.86264  -125.10008
   73    72 S   HA   _H15    61     1.08771   120.55243     0.07913
   74    72 S   CA   _C18    62     1.39545   120.58867  -179.77015
   75    74 S   HA   _H16    63     1.08639   119.87138  -179.92598
   76    74 S   CA   _C19    64     1.39109   119.64796     0.19281
   77    76 S   CA   _C20    65     1.39213   120.74287     0.10835
   78    77 S   HA   _H17    66     1.08614   120.95880   179.86438
   79    76 S   OH   _O37    69     1.36598   118.16872  -180.00000
   80    79 S   HO   _H19    70     0.97241   108.65148  -179.89532
   81    67 S   CA   _C21    67     1.40436   121.27633    55.64405
   82    81 S   HA   _H18    68     1.08762   120.59074    -0.35936
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  13   5   4  12   4   8   6   4  12   6   3   2
   1   1  10   6   8   7   2   4   3   7   3   2   1   1  10   4
  12   7  13   5   2   1   1   8   4   7   3   6   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    53    56    57    60    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    54    53    56    57    60    61    62    40    41    43    44    47  
   35    36  
   36  
    0  
   38    39    42    45    46    51    53    56    57    60    40    41    43  
   39    42    45    56    40  
   42    45    56    40  
   41    43    44    47    48    49    50    42    53    56    57    60  
   43    44    47    56  
   45    46    51    52    54    53    56    58  
   44    47    48    49    50    56  
   47    48    49    50  
   46    51    52    54    55    53    56    57    60    58    59    63  
   51    52    54    53    56    58  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    53    56    58    59    63    64    65  
   54    55    53    58    59    63  
   56    57    60    61    62    58    54    55  
   55    56    57    60    58    59    63  
   56    58  
   57    60    61    62  
   60    61    62  
   59    63    64    65    66    67    68  
   63    64    65  
   61    62  
   62  
    0  
   64    65    66    67    72    81    68    69    70    71  
   65    66    67    68  
   66    67    72    73    74    77    81    82    68    69    70    71  
   67    72    81    68    69    70    71  
   72    73    74    75    76    77    78    81    82    68    69    70    71  
   69    70    71    72    81  
   70    71  
   71  
    0  
   73    74    75    76    77    81    82    79  
   74    75    76    81  
   75    76    77    78    81    79    80  
   76    77    79  
   77    78    81    82    79    80  
   78    81    82    79    80  
   81    82    79  
   80    81  
    0  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660   0.365000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    56   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   222.000  1.810
   42    45   200.000  1.824
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    53   305.000  1.456
   51    52   340.000  1.090
   51    54   250.000  1.540
   51    58   337.000  1.449
   54    55   930.000  1.212
   54    53   440.000  1.369
   53    56   337.000  1.449
   56    57   340.000  1.090
   56    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   58    59   434.000  1.010
   58    63   490.000  1.335
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   275.000  1.474
   65    68   367.000  1.471
   67    72   469.000  1.400
   67    81   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    81   469.000  1.400
   81    82   367.000  1.080
   79    80   553.000  0.945
   68    69   434.000  1.010
   68    70   434.000  1.010
   68    71   434.000  1.010
   40    41   340.000  1.080
   40    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    75.00000  111.63000
   33    56    53    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    60    63.00000  111.10000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   37    42    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    45.00000  109.41400
   42    45    51    65.00000  119.05700
   42    45    53    80.00000  108.62000
   45    51    52    37.50000  110.70000
   45    51    54   100.00000   86.36000
   45    51    58    80.00000  110.05700
   45    53    54   100.00000   93.00000
   45    53    56    50.00000  132.70000
   51    45    46    37.50000  110.70000
   51    54    55    60.00000  136.58000
   51    54    53    95.00000   92.72400
   51    58    59    38.00000  118.40000
   51    58    63    50.00000  121.90000
   54    51    52    40.00000  113.37500
   54    53    56    50.00000  132.10000
   53    45    46    50.00000  112.01000
   53    45    51   105.00000   87.49700
   53    54    55    75.00000  131.60000
   53    56    57    35.00000  109.50000
   53    56    60    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    60    61    70.00000  117.00000
   56    60    62    70.00000  117.00000
   60    56    57    35.00000  109.50000
   62    60    61    80.00000  126.00000
   58    51    52    50.00000  112.01000
   58    51    54    75.00000  110.24000
   58    63    64    80.00000  122.90000
   58    63    65    70.00000  116.60000
   63    58    59    35.00000  119.80000
   63    65    66    35.00000  109.50000
   63    65    67    70.00000  102.60000
   63    65    68    80.00000  111.20000
   65    63    64    80.00000  120.40000
   65    67    72    60.00000  125.54000
   65    67    81    60.00000  125.54000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   67    65    66    45.00000  110.88000
   67    72    73    35.00000  120.00000
   67    72    74    63.00000  120.00000
   67    81    77    63.00000  120.00000
   67    81    82    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    81    63.00000  120.00000
   76    79    80    35.00000  113.00000
   77    81    82    35.00000  120.00000
   81    67    72    63.00000  120.00000
   81    77    78    35.00000  120.00000
   79    76    77    70.00000  120.00000
   68    65    66    35.00000  109.50000
   68    65    67    75.00000  110.83300
   70    68    69    35.00000  109.50000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   40    33    37    70.00000  112.02700
   40    33    56    70.00000  112.02700
   40    43    44    35.00000  120.00000
   40    43    47    70.00000  124.00000
   43    40    41    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    35.00000  117.00000
   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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    56    53   0.71400  1.0 1.0
   29    33    56    53   0.04300 -1.0 2.0
   29    33    56    53   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60  -2.17200  1.0 1.0
   29    33    56    60  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    42    45  -0.25000 -1.0 2.0
   33    37    42    45  -0.01800  1.0 3.0
   33    56    60    61   0.00000  1.0 1.0
   33    56    60    62   0.00000  1.0 1.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    47   7.00000 -1.0 2.0
   37    33    56    53   0.42250  1.0 1.0
   37    33    56    53  -0.48100 -1.0 2.0
   37    33    56    53   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60  -0.84850  1.0 1.0
   37    33    56    60  -0.22800 -1.0 2.0
   37    33    56    60   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    43   0.09850  1.0 1.0
   37    33    40    43   0.15250 -1.0 2.0
   37    33    40    43  -0.50650  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    51   0.25150  1.0 1.0
   37    42    45    51  -1.17200 -1.0 2.0
   37    42    45    51   0.53050  1.0 3.0
   37    42   -45    53   0.01700  1.0 1.0
   37    42   -45    53  -0.23550 -1.0 2.0
   37    42   -45    53   0.21350  1.0 3.0
   38    37    42    45   0.32350  1.0 3.0
   39    37    42    45   0.32350  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    54   0.00000  1.0 1.0
   42    45    51    58   0.00000  1.0 1.0
   42    45   -53    54   0.00000  1.0 1.0
   42    45    53    56   0.00000  1.0 1.0
   45    51    54    55  -0.11250  1.0 1.0
   45    51    54    55   0.11400 -1.0 2.0
   45    51    54    55  -0.28950  1.0 3.0
   45    51   -54    53   3.00000 -1.0 2.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    63  -0.43950  1.0 1.0
   45    51    58    63  -0.08100 -1.0 2.0
   45    51    58    63   0.03350  1.0 3.0
   45    53   -56    33   0.00000  1.0 1.0
   45    53    56    57   0.00000  1.0 1.0
   45    53    56    60   0.00000  1.0 1.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   46    45    51    58   0.15000  1.0 3.0
   46    45   -53    54   0.00000  1.0 1.0
   46    45    53    56   0.00000  1.0 1.0
   51    45   -53    54   0.00000  1.0 1.0
   51    45    53    56   0.00000  1.0 1.0
   51    54   -53    45   3.00000 -1.0 2.0
   51    54   -53    56   3.00000 -1.0 2.0
   51    58    63    64   3.04450 -1.0 2.0
   51    58    63    65   1.15000  1.0 1.0
   51    58    63    65   3.04450 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   54    51    58    59   0.00000  1.0 1.0
   54    51    58    63  -0.42300  1.0 1.0
   54    51    58    63  -0.07000 -1.0 2.0
   54    51    58    63   0.04150  1.0 3.0
   54    53    56    33   0.00000  1.0 1.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    60   0.00000  1.0 1.0
   55    54   -53    45   3.00000 -1.0 2.0
   55    54    53    56   3.00000 -1.0 2.0
   53    45   -51    52   0.15000  1.0 3.0
   53    45   -51    54   3.00000 -1.0 2.0
   53    45    51    58   2.20050  1.0 1.0
   53    45    51    58   0.63450 -1.0 2.0
   53    45    51    58  -0.91300  1.0 3.0
   53    56    60    61   0.00000  1.0 1.0
   53    56    60    62   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    42   0.44750  1.0 1.0
   56    33   -37    42  -0.17800 -1.0 2.0
   56    33   -37    42   0.20200  1.0 3.0
   56    33    40    41   0.00000  1.0 1.0
   56    33    40    43   0.09850  1.0 1.0
   56    33    40    43   0.15250 -1.0 2.0
   56    33    40    43  -0.50650  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51   -54    53   0.00000  1.0 1.0
   58    63    65    66   0.00000  1.0 1.0
   58    63    65    67   0.00000  1.0 1.0
   58    63    65    68   0.37150  1.0 1.0
   58    63    65    68   1.25400 -1.0 2.0
   58    63    65    68  -0.40250  1.0 3.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    65   2.45000 -1.0 2.0
   63    65    67    72   0.04300 -1.0 2.0
   63    65    67    81   0.04300 -1.0 2.0
   63    65    68    69   0.17350  1.0 3.0
   63    65    68    70   0.17350  1.0 3.0
   63    65    68    71   0.17350  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.30150 -1.0 2.0
   64    63    65    68   0.00000  1.0 1.0
   65    67    72    73   3.62500 -1.0 2.0
   65    67    72    74   3.62500 -1.0 2.0
   65    67    81    77   3.62500 -1.0 2.0
   65    67    81    82   3.62500 -1.0 2.0
   66    65    67    72   0.00000  1.0 1.0
   66    65    67    81   0.00000  1.0 1.0
   66    65    68    69   0.13050  1.0 3.0
   66    65    68    70   0.13050  1.0 3.0
   66    65    68    71   0.13050  1.0 3.0
   67    65    68    69   0.17350  1.0 3.0
   67    65    68    70   0.17350  1.0 3.0
   67    65    68    71   0.17350  1.0 3.0
   67    72    74    75   3.62500 -1.0 2.0
   67    72    74    76   3.62500 -1.0 2.0
   72    67    81    77   3.62500 -1.0 2.0
   72    67    81    82   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    79   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    81   3.62500 -1.0 2.0
   74    76    79    80   0.84100 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77   -81    67   3.62500 -1.0 2.0
   76    77    81    82   3.62500 -1.0 2.0
   77    76    79    80   0.84100 -1.0 2.0
   78    77    81    67   3.62500 -1.0 2.0
   78    77    81    82   3.62500 -1.0 2.0
   81    67    72    73   3.62500 -1.0 2.0
   81    67   -72    74   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    81   3.62500 -1.0 2.0
   68    65    67    72  -0.46400 -1.0 2.0
   68    65    67    81  -0.46400 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    56    53   0.21700  1.0 1.0
   40    33    56    53   0.68550 -1.0 2.0
   40    33    56    53  -0.27950  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    60  -0.98800  1.0 1.0
   40    33    56    60   0.48800 -1.0 2.0
   40    33    56    60   0.76800  1.0 3.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    49   0.00000  1.0 1.0
   40    43    47    50   0.00000  1.0 1.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    47   7.00000 -1.0 2.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    50   0.33100  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   51    53    54    55  10.50000 -1.0 2.0
   56    54    53    45   1.00000 -1.0 2.0
   61    56    60    62  10.50000 -1.0 2.0
   59    63    58    51   1.00000 -1.0 2.0
   58    65    63    64  10.50000 -1.0 2.0
   72    81    67    65   4.00000 -1.0 2.0
   74    73    72    67   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   81    78    77    76   1.10000 -1.0 2.0
   77    82    81    67   1.10000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   47    44    43    40  15.00000 -1.0 2.0
END
