* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    156    221     441
    1     0 S   NP   _N1_     1    28.47582    93.75284   -21.52400
    2     1 S   H    _HN1     2     1.02958    94.37654    20.27479
    3     1 S   H    _H1_     3     1.02836    27.11340   140.03986
    4     1 S   H    _H2_     4     1.02778    90.19790   -88.11295
    5     1 S   CT   _CA1     5     1.50120   137.70868   147.41912
    6     5 S   HC   _HA1     6     1.09570   105.25641    55.67945
    7     5 S   CO3  _C1_     7     1.53839   112.28263   -64.58578
    8     7 S   O2Z  _O11     8     1.26371   115.02620   -45.20292
    9     7 S   O2Z  _O12     9     1.26229   114.97448   133.98088
   10     5 S   CT   _CB1    10     1.53113   107.41273   173.63400
   11    10 S   HC   HB11    11     1.09820   109.51472   -49.87956
   12    10 S   HC   HB12    12     1.09820   110.35309    66.74071
   13    10 S   CT   _CG1    13     1.52977   112.58588  -170.94408
   14    13 S   HC   HG11    14     1.09524   110.29886   -60.72982
   15    13 S   HC   HG12    15     1.09637   110.06826    58.37556
   16    13 S   C    _CD1    16     1.51825   112.33232   178.81271
   17    16 S   O    _OE1    17     1.22721   123.26030    -5.96644
   18    16 S   N    _N2_    18     1.38573   111.64746   174.28451
   19    18 S   H    _HN2    19     1.01655   118.91125     0.83509
   20    18 S   CT1  _CA2    20     1.46220   123.59220  -177.86999
   21    20 S   HC   _HA2    21     1.09725   109.45691    -3.00661
   22    20 S   C    _C2_    22     1.53398   108.67964  -118.95032
   23    22 S   O    _O2_    23     1.23046   122.15380  -145.07936
   24    20 S   CT   _CB2    32     1.53500   111.11956   118.85654
   25    24 S   HC   HB21    33     1.09343   109.29472    58.14518
   26    24 S   HC   HB22    34     1.09501   110.21181   176.60650
   27    22 S   N    _N3_    24     1.38478   113.53003    42.29561
   28    27 S   H    _HN3    25     1.01501   118.98315    -0.52414
   29    24 S   S    _SG2    35     1.82983   111.21743   -64.01336
   30    27 S   CT   _CA3    26     1.45439   123.33728   175.21717
   31    30 S   HC   HA31    27     1.09531   109.13806    26.69953
   32    30 S   HC   HA32    28     1.09494   107.15702   143.66505
   33    29 S   CT   _C20    36     1.86434   102.07166   157.09112
   34    30 S   CO3  _C3_    29     1.52920   113.13520   -96.71671
   35    34 S   O2Z  _O31    30     1.26401   115.39714   -45.60359
   36    34 S   O2Z  _O32    31     1.26360   114.99747   135.33911
   37    33 S   CT   _C12    37     1.54114   105.02052   177.49298
   38    37 S   HC   _H33    38     1.09683   111.52128   -66.52331
   39    37 S   HC   _H34    39     1.09578   112.43145    54.26465
   40    37 S   HC   _H35    40     1.09576   111.24679   173.87017
   41    33 S   CT   _C16    41     1.54790   112.58117   -62.41037
   42    41 S   HC   _H43    42     1.09779   110.92122  -165.16080
   43    41 S   HC   _H44    43     1.09767   110.54761    79.44722
   44    33 S   CT   _C19    51     1.55494   107.99845    60.10066
   45    44 S   HC   _H49    52     1.09813   109.43412   -65.54013
   46    44 S   HC   _H50    53     1.09960   109.60192    50.65887
   47    41 S   CO4  _C6_    44     1.51360   116.27831   -42.22690
   48    47 S   O    _O18    45     1.22499   123.47046   102.40702
   49    44 S   CT   _C14    54     1.53623   115.29648   172.76139
   50    49 S   HC   _H39    55     1.09601   110.28433   -65.00503
   51    49 S   HC   _H40    56     1.09191   111.02626    52.27930
   52    47 S   OS   _O20    46     1.36147   110.60546   -77.96294
   53    49 S   CM   _C4_    57     1.50391   110.21624   176.27322
   54    53 S   HC   _H22    58     1.08983   113.95870    76.42047
   55    52 S   CT   _C13    47     1.43105   115.15324   178.12362
   56    55 S   HC   _H36    48     1.09320   108.11747   177.84441
   57    55 S   HC   _H37    49     1.09422   110.52226    58.99834
   58    55 S   HC   _H38    50     1.09379   109.96821   -63.63628
   59    53 S   CM   _C5_    59     1.34785   127.95859  -102.34846
   60    59 S   CT   _C9_    60     1.50432   124.82391    -0.72685
   61    60 S   HC   _H24    61     1.09431   110.51735   118.15731
   62    60 S   HC   _H25    62     1.09502   110.04216  -122.17786
   63    60 S   HC   _H26    63     1.09178   113.62531    -1.86634
   64    59 S   CT   _C15    64     1.51837   119.76960   179.34958
   65    64 S   HC   _H41    65     1.09755   108.36057   128.21698
   66    64 S   HC   _H42    66     1.09799   110.37812    12.93544
   67    64 S   CT   _C17    67     1.53543   114.43912  -110.04318
   68    67 S   HC   _H45    68     1.09556   110.50114   -58.18945
   69    67 S   HC   _H46    69     1.09527   107.49435  -173.75669
   70    67 S   C3T  _C7_    70     1.49860   112.62655    63.77609
   71    70 S   HC   _H23    71     1.08292   113.14236   -58.68176
   72    70 S   C3T  _C8_    72     1.52247   124.09924   148.47435
   73    70 S   O3T  _O19    73     1.43263   114.62724    81.42886
   74    72 S   CT   _C10    74     1.50031   118.25497   159.32297
   75    74 S   HC   _H27    75     1.09481   110.62678   145.56429
   76    74 S   HC   _H28    76     1.09554   111.84136    25.54776
   77    74 S   HC   _H29    77     1.09429   110.48003   -94.40637
   78    72 S   CT   _C18    78     1.50584   122.21255    -0.85203
   79    78 S   HC   _H47    79     1.09673   109.33429  -157.72824
   80    78 S   HC   _H48    80     1.09567   111.22794   -41.25104
   81    78 S   CT   _C11    81     1.52058   111.98264    81.22312
   82    81 S   HC   _H30    82     1.09441   111.24298   -59.57061
   83    81 S   HC   _H31    83     1.09446   110.27066  -179.56931
   84    81 S   HC   _H32    84     1.09457   111.24047    60.61699
  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  13   5   4   3
  17   2   1   1  11   4   3   2  10   5   4   9   5   4   6   2
   7   4   3   4  10   3   3   2   1   1  11   7   3   2   1   9
   5   4   8   5   4  11   4  12   8   7   3   2   1   6   5   4
   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    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    47    44    45    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    47    48    52    44    45    46    49    50    51    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    49  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    47    48    52    55    44    45    46    49  
   43    47    48    52    44  
   47    48    52    44  
   45    46    49    50    51    53    54    59    47  
   46    49    50    51    53  
   49    50    51    53  
   48    52    55    56    57    58  
   52    55  
   50    51    53    54    59    60    64  
   51    53    54    59  
   53    54    59  
   55    56    57    58  
   54    59    60    61    62    63    64    65    66    67  
   59    60    64  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68    69    70  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    78  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    75    76    77    78    79    80    81    82    83    84  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   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   0.167500   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   570.000  1.229
   47    52   214.000  1.327
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   317.000  1.510
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   317.000  1.510
   59    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   275.000  1.510
   70    71   340.000  1.088
   70    72   260.000  1.509
   70    73   335.000  1.432
   72    73   335.000  1.432
   72    74   275.000  1.510
   72    78   275.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    63.00000  111.10000
   33    44    45    37.50000  110.70000
   33    44    46    37.50000  110.70000
   33    44    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    47    48    80.00000  120.40000
   41    47    52    81.00000  111.40000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    52    55    83.00000  116.90000
   52    47    48    83.00000  123.40000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    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
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    53    70.00000  112.02700
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    53    54    35.00000  117.00000
   49    53    59    70.00000  124.00000
   51    49    50    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    51    35.00000  109.50000
   53    59    60    70.00000  124.00000
   53    59    64    70.00000  124.00000
   59    53    54    35.00000  120.00000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    59    60    65.00000  117.92700
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.37300
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    40.00000  115.04500
   67    70    72    60.00000  120.94000
   67    70    73    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    45.00000  109.38400
   70    67    69    45.00000  109.38400
   70    72    73    15.00000   60.43100
   70    72    74    60.00000  120.94000
   70    72    78    60.00000  120.94000
   70    73    72    15.00000   59.14900
   72    70    71    37.50000  117.20000
   72    74    75    45.00000  109.38400
   72    74    76    45.00000  109.38400
   72    74    77    45.00000  109.38400
   72    78    79    45.00000  109.38400
   72    78    80    45.00000  109.38400
   72    78    81    70.00000  112.37300
   73    70    71    50.00000  114.27700
   73    70    72    15.00000   60.43100
   74    72    73    80.00000  116.47100
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    80.00000  116.47100
   78    72    74    58.35000  112.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    46   0.15000  1.0 3.0
   29    33    44    49   0.44750  1.0 1.0
   29    33    44    49  -0.17800 -1.0 2.0
   29    33    44    49   0.20200  1.0 3.0
   33    41    47    48   0.30150 -1.0 2.0
   33    41    47    52   0.36750  1.0 3.0
   33    44    49    50   0.15000  1.0 3.0
   33    44    49    51   0.15000  1.0 3.0
   33    44    49    53   0.34400  1.0 1.0
   33    44    49    53   0.09450 -1.0 2.0
   33    44    49    53   0.11100  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    47  -0.95700  1.0 1.0
   37    33    41    47  -0.18200 -1.0 2.0
   37    33    41    47   0.29450  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    46   0.15000  1.0 3.0
   37    33    44    49   0.56750  1.0 1.0
   37    33    44    49  -0.07550 -1.0 2.0
   37    33    44    49   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    46   0.15000  1.0 3.0
   41    33    44    49   0.56750  1.0 1.0
   41    33    44    49  -0.07550 -1.0 2.0
   41    33    44    49   0.20000  1.0 3.0
   41    47    52    55   1.63150  1.0 1.0
   41    47    52    55   2.92000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    52   0.00000  1.0 1.0
   43    41    47    48   0.00000  1.0 1.0
   43    41    47    52   0.00000  1.0 1.0
   47    52    55    56   0.08050  1.0 3.0
   47    52    55    57   0.08050  1.0 3.0
   47    52    55    58   0.08050  1.0 3.0
   48    47    52    55   3.00000 -1.0 2.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    47  -0.95700  1.0 1.0
   44    33    41    47  -0.18200 -1.0 2.0
   44    33    41    47   0.29450  1.0 3.0
   44    49    53    54   0.00000  1.0 1.0
   44    49    53    59   0.09850  1.0 1.0
   44    49    53    59   0.15250 -1.0 2.0
   44    49    53    59  -0.50650  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    53   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    53   0.15000  1.0 3.0
   49    53    59    60   7.00000 -1.0 2.0
   49    53    59    64   7.00000 -1.0 2.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    59   0.00000  1.0 1.0
   51    49    53    54   0.33100  1.0 3.0
   51    49    53    59   0.00000  1.0 1.0
   53    59    60    61   0.00000  1.0 1.0
   53    59    60    62   0.00000  1.0 1.0
   53    59    60    63   0.00000  1.0 1.0
   53    59    64    65   0.00000  1.0 1.0
   53    59    64    66   0.00000  1.0 1.0
   53    59    64    67   0.09850  1.0 1.0
   53    59    64    67   0.15250 -1.0 2.0
   53    59    64    67  -0.50650  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    64   7.00000 -1.0 2.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.34400  1.0 1.0
   59    64    67    70   0.09450 -1.0 2.0
   59    64    67    70   0.11100  1.0 3.0
   60    59    64    65   0.34800  1.0 3.0
   60    59    64    66   0.34800  1.0 3.0
   60    59    64    67   0.46850  1.0 1.0
   60    59    64    67   0.08550 -1.0 2.0
   60    59    64    67   0.09800  1.0 3.0
   64    59    60    61   0.34800  1.0 3.0
   64    59    60    62   0.34800  1.0 3.0
   64    59    60    63   0.34800  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.07850  1.0 1.0
   64    67    70    72  -0.03950 -1.0 2.0
   64    67    70    72   0.67350  1.0 3.0
   64    67    70    73   0.02550  1.0 1.0
   64    67    70    73  -0.02600 -1.0 2.0
   64    67    70    73   1.20400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70   -72    73   0.02550  1.0 1.0
   67    70   -72    73  -0.02600 -1.0 2.0
   67    70   -72    73   1.20400  1.0 3.0
   67    70    72    74   0.56750  1.0 1.0
   67    70    72    74  -0.07550 -1.0 2.0
   67    70    72    74   0.20000  1.0 3.0
   67    70    72    78   0.56750  1.0 1.0
   67    70    72    78  -0.07550 -1.0 2.0
   67    70    72    78   0.20000  1.0 3.0
   67    70   -73    72   0.06250  1.0 1.0
   67    70   -73    72  -0.01100 -1.0 2.0
   67    70   -73    72   0.28050  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.23400  1.0 3.0
   70    72    74    75   0.15000  1.0 3.0
   70    72    74    76   0.15000  1.0 3.0
   70    72    74    77   0.15000  1.0 3.0
   70    72    78    79   0.15000  1.0 3.0
   70    72    78    80   0.15000  1.0 3.0
   70    72    78    81   0.07850  1.0 1.0
   70    72    78    81  -0.03950 -1.0 2.0
   70    72    78    81   0.67350  1.0 3.0
   71    70   -72    73   0.23400  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    78   0.15000  1.0 3.0
   71    70   -73    72   0.36800  1.0 3.0
   72    78    81    82   0.15000  1.0 3.0
   72    78    81    83   0.15000  1.0 3.0
   72    78    81    84   0.15000  1.0 3.0
   73    70   -72    74   0.02550  1.0 1.0
   73    70   -72    74  -0.02600 -1.0 2.0
   73    70   -72    74   1.20400  1.0 3.0
   73    70   -72    78   0.02550  1.0 1.0
   73    70   -72    78  -0.02600 -1.0 2.0
   73    70   -72    78   1.20400  1.0 3.0
   73    72    74    75   0.23400  1.0 3.0
   73    72    74    76   0.23400  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   73    72    78    79   0.23400  1.0 3.0
   73    72    78    80   0.23400  1.0 3.0
   73    72    78    81   0.02550  1.0 1.0
   73    72    78    81  -0.02600 -1.0 2.0
   73    72    78    81   1.20400  1.0 3.0
   74    72   -73    70   0.06250  1.0 1.0
   74    72   -73    70  -0.01100 -1.0 2.0
   74    72   -73    70   0.28050  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.56750  1.0 1.0
   74    72    78    81  -0.07550 -1.0 2.0
   74    72    78    81   0.20000  1.0 3.0
   78    72   -73    70   0.06250  1.0 1.0
   78    72   -73    70  -0.01100 -1.0 2.0
   78    72   -73    70   0.28050  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   41    52    47    48  10.50000 -1.0 2.0
   49    54    53    59  15.00000 -1.0 2.0
   60    64    59    53  15.00000 -1.0 2.0
END
