* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    164    261     491
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02050   100.08507   -49.02207
    3     1 S   H    _H1_     3     1.02082    77.83783    58.10117
    4     1 S   H    _H2_     4     1.02125    37.43225  -156.65095
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10104
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C8_    36     1.83880    97.61858   161.82887
   34    33 S   HC   _H3_    37     1.09697   105.53114   -38.21662
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C9_    38     1.51517   108.90612    80.00024
   39    33 S   CT   _C7_    50     1.53310   114.70024  -156.84732
   40    39 S   HC   _H12    51     1.09967   108.38143   175.92446
   41    38 S   CM   _C10    39     1.34144   119.08802  -101.14273
   42    41 S   HC   _H13    40     1.08504   121.73556     0.88271
   43    39 S   CT   _C5_    52     1.52951   113.73835    57.25244
   44    43 S   HC   _H8_    53     1.09651   108.22935   -85.27269
   45    41 S   CO4  _C11    41     1.47846   121.60331  -178.87360
   46    45 S   O    _O33    42     1.22797   117.94770  -174.86611
   47    43 S   CT   _C4_    54     1.52659   110.50536    33.25492
   48    47 S   HC   _H5_    55     1.09528   111.39462    61.58227
   49    47 S   HC   _H6_    56     1.09573   110.84090   -58.71448
   50    47 S   HC   _H7_    57     1.09486   110.68338  -178.27195
   51    43 S   CT   _C6_    58     1.52615   110.52545   156.11203
   52    51 S   HC   _H9_    59     1.09587   111.34711   -61.52907
   53    51 S   HC   _H10    60     1.09519   110.68536   178.28491
   54    51 S   HC   _H11    61     1.09490   110.81928    58.67218
   55    45 S   CT   _C12    43     1.53217   117.41468     8.50935
   56    55 S   HC   _H4_    44     1.10415   103.37424    73.83858
   57    55 S   CT   _C13    45     1.57517   110.12059   -38.35033
   58    38 S   CM   _C14    46     1.47838   117.58345    78.51670
   59    57 S   CT   _C17    64     1.55673   108.00126   179.40258
   60    59 S   HC   _H15    65     1.09828   109.49022   -70.40229
   61    59 S   HC   _H16    66     1.09662   110.36205   171.53299
   62    57 S   CT   _C23    82     1.55192   113.89582   -60.93423
   63    62 S   HC   _H27    83     1.08084   108.55593   -61.79693
   64    62 S   HC   _H28    84     1.08092   108.57296   178.28582
   65    62 S   HC   _H29    85     1.08008   108.59150    58.21978
   66    58 S   CM   _C15    47     1.35597   119.59450    18.13383
   67    59 S   CT   _C18    67     1.52490   114.91920    50.40107
   68    67 S   HC   _H17    68     1.09371   111.08379    66.92644
   69    67 S   HC   _H18    69     1.09694   108.81006  -176.95683
   70    66 S   CO4  _C16    48     1.50019   121.51174     4.10613
   71    70 S   O    _O34    49     1.23071   119.57043  -177.56305
   72    66 S   OH   _O35    62     1.37751   123.30293  -175.47849
   73    72 S   HO   _H14    63     0.96285   110.00121   179.98022
   74    67 S   CT   _C19    70     1.51746   111.19831   -56.97085
   75    74 S   HC   _H19    71     1.09781   109.07128  -179.60983
   76    74 S   HC   _H20    72     1.09907   108.15992   -64.77533
   77    55 S   CT   _C20    73     1.57219   114.53007  -173.16835
   78    77 S   CT   _C21    74     1.55266   110.27145   -64.17765
   79    78 S   HC   _H21    75     1.08122   108.49027    61.85777
   80    78 S   HC   _H22    76     1.08071   108.56421   -58.11516
   81    78 S   HC   _H23    77     1.08038   108.56711  -178.21502
   82    77 S   CT   _C22    78     1.54230   114.53833    56.80630
   83    82 S   HC   _H24    79     1.08427   109.02745   -56.96043
   84    82 S   HC   _H25    80     1.08365   109.05973  -176.87770
   85    82 S   HC   _H26    81     1.08300   109.11881    63.04802
  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
  16   7   2   1   1  15  17   7   9   4  12   9  11   4   8   3
   2   1   4   2   1   1  24   8  18  14  14   6   5   6   2   1
   1   4   8   5   4   3   1   1   1  11   4   3   8   7   3   2
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    70    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    57    58    66    70    71    39    40    43    44    47    51  
   38    41    58    70    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    55    57    58    66    70    39    40    43    72    59    62  
   40    43    44    47    48    49    50    51    52    53    54    72    41    58    66    70    71  
   43    44    47    51    66    70    71  
   42    45    46    55    56    57    58    66    77  
   45    46    55    58  
   44    47    48    49    50    51    52    53    54    66    70    71  
   47    48    49    50    51    52    53    54    70  
   46    55    56    57    58    59    74    77    78    82    62  
   55    56    57    77  
   48    49    50    51    52    53    54    70  
   49    50    51  
   50    51  
   51  
   52    53    54    70  
   53    54  
   54  
    0  
   56    57    58    66    59    60    61    67    74    75    76    77    78    79    80    81    82    83    84    85    62    63    64    65  
   57    58    59    74    77    78    82    62  
   58    66    70    72    59    60    61    67    68    69    74    77    78    82    62    63    64    65  
   66    70    71    72    73    59    60    61    67    77    62    63    64    65  
   60    61    67    68    69    74    75    76    77    62    63    64    65    66  
   61    67    68    69    74    62  
   67    68    69    74    62  
   63    64    65    66    67    77  
   64    65  
   65  
    0  
   70    71    72    73  
   68    69    74    75    76    77    78    82  
   69    74    75    76    77  
   74    75    76    77  
   71    72    73  
   72  
   73  
    0  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   85   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    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    39   268.000  1.529
   38    41   549.000  1.340
   38    58   380.000  1.444
   41    42   340.000  1.080
   41    45   320.000  1.462
   45    46   570.000  1.229
   45    55   317.000  1.522
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    77   268.000  1.529
   57    58   317.000  1.510
   57    59   268.000  1.529
   57    62   268.000  1.529
   58    66   549.000  1.340
   66    70   320.000  1.462
   66    72   510.000  1.338
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   72    73   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    58    70.00000  124.00000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    65.00000  118.96000
   38    58    57    70.00000  124.00000
   38    58    66    70.00000  123.01800
   41    45    46    80.00000  123.72100
   41    45    55    65.00000  118.62400
   45    41    42    40.00000  117.72500
   45    55    56    35.00000  109.50000
   45    55    57    63.00000  111.10000
   45    55    77    63.00000  111.10000
   55    45    46    80.00000  120.40000
   55    57    58    70.00000  112.02700
   55    57    59    58.35000  112.70000
   55    57    62    58.35000  112.70000
   55    77    74    58.35000  112.70000
   55    77    78    58.35000  112.70000
   55    77    82    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    58    66    70.00000  124.00000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    67    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   58    38    41    70.00000  123.01800
   58    66    70    65.00000  118.96000
   58    66    72    80.00000  121.38400
   66    70    71    80.00000  123.72100
   66    70    39    65.00000  118.62400
   66    72    73    70.00000  107.45700
   70    39    40    35.00000  109.50000
   70    39    43    63.00000  111.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    70    71    80.00000  120.40000
   39    43    44    37.50000  110.70000
   39    43    47    58.35000  112.70000
   39    43    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    43    44    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   72    66    70    85.00000  116.28000
   59    57    58    70.00000  112.02700
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    57    58.35000  112.70000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   62    57    58    70.00000  112.02700
   62    57    59    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    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    38    58   0.42700  1.0 1.0
   29    33    38    58  -0.70350 -1.0 2.0
   29    33    38    58  -0.43150  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    58    57   0.35650  1.0 1.0
   33    38    58    57   0.31450 -1.0 2.0
   33    38    58    66  -0.18600  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    47   0.56750  1.0 1.0
   33    39    43    47  -0.07550 -1.0 2.0
   33    39    43    47   0.20000  1.0 3.0
   33    39    43    51   0.56750  1.0 1.0
   33    39    43    51  -0.07550 -1.0 2.0
   33    39    43    51   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    70  -0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    70  -0.98800  1.0 1.0
   38    33    39    70   0.48800 -1.0 2.0
   38    33    39    70   0.76800  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    41    45    46   1.00000 -1.0 2.0
   38    41    45    55  -0.33500  1.0 1.0
   38    41    45    55   1.06600 -1.0 2.0
   38    41    45    55  -0.14000  1.0 3.0
   38    58   -66    70   7.00000 -1.0 2.0
   38    58    66    72   7.00000 -1.0 2.0
   41    38    58    57  -0.18600  1.0 3.0
   41    38    58    66   0.28850  1.0 1.0
   41    38    58    66   2.61350 -1.0 2.0
   41    38    58    66   0.78400  1.0 3.0
   41    45    55    56   0.00000  1.0 1.0
   41    45   -55    57   0.65300  1.0 1.0
   41    45   -55    57  -0.03850 -1.0 2.0
   41    45   -55    57   0.33900  1.0 3.0
   41    45    55    77   0.65300  1.0 1.0
   41    45    55    77  -0.03850 -1.0 2.0
   41    45    55    77   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    55   0.04550  1.0 1.0
   42    41    45    55   0.83000 -1.0 2.0
   42    41    45    55  -0.04000  1.0 3.0
   45    55    57    58  -0.98800  1.0 1.0
   45    55    57    58   0.48800 -1.0 2.0
   45    55    57    58   0.76800  1.0 3.0
   45    55    57    59  -0.95700  1.0 1.0
   45    55    57    59  -0.18200 -1.0 2.0
   45    55    57    59   0.29450  1.0 3.0
   45    55    57    62  -0.95700  1.0 1.0
   45    55    57    62  -0.18200 -1.0 2.0
   45    55    57    62   0.29450  1.0 3.0
   45    55    77    74  -0.95700  1.0 1.0
   45    55    77    74  -0.18200 -1.0 2.0
   45    55    77    74   0.29450  1.0 3.0
   45    55    77    78  -0.95700  1.0 1.0
   45    55    77    78  -0.18200 -1.0 2.0
   45    55    77    78   0.29450  1.0 3.0
   45    55    77    82  -0.95700  1.0 1.0
   45    55    77    82  -0.18200 -1.0 2.0
   45    55    77    82   0.29450  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    57   0.30150 -1.0 2.0
   46    45    55    77   0.30150 -1.0 2.0
   55    57   -58    38   0.98200  1.0 1.0
   55    57   -58    38  -0.11900 -1.0 2.0
   55    57   -58    38   0.24250  1.0 3.0
   55    57    58    66   0.09850  1.0 1.0
   55    57    58    66   0.15250 -1.0 2.0
   55    57    58    66  -0.50650  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    61   0.15000  1.0 3.0
   55    57    59    67   0.56750  1.0 1.0
   55    57    59    67  -0.07550 -1.0 2.0
   55    57    59    67   0.20000  1.0 3.0
   55    57    62    63   0.15000  1.0 3.0
   55    57    62    64   0.15000  1.0 3.0
   55    57    62    65   0.15000  1.0 3.0
   55    77    78    79   0.15000  1.0 3.0
   55    77    78    80   0.15000  1.0 3.0
   55    77    78    81   0.15000  1.0 3.0
   55    77    82    83   0.15000  1.0 3.0
   55    77    82    84   0.15000  1.0 3.0
   55    77    82    85   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62   0.15000  1.0 3.0
   56    55    77    74   0.15000  1.0 3.0
   56    55    77    78   0.15000  1.0 3.0
   56    55    77    82   0.15000  1.0 3.0
   57    55    77    74   0.56750  1.0 1.0
   57    55    77    74  -0.07550 -1.0 2.0
   57    55    77    74   0.20000  1.0 3.0
   57    55    77    78   0.56750  1.0 1.0
   57    55    77    78  -0.07550 -1.0 2.0
   57    55    77    78   0.20000  1.0 3.0
   57    55    77    82   0.56750  1.0 1.0
   57    55    77    82  -0.07550 -1.0 2.0
   57    55    77    82   0.20000  1.0 3.0
   57    58    66    70   7.00000 -1.0 2.0
   57    58    66    72   7.00000 -1.0 2.0
   57    59    67    68   0.15000  1.0 3.0
   57    59    67    69   0.15000  1.0 3.0
   57    59   -67    74   0.56750  1.0 1.0
   57    59   -67    74  -0.07550 -1.0 2.0
   57    59   -67    74   0.20000  1.0 3.0
   58    38    41    42   7.00000 -1.0 2.0
   58    38   -41    45   7.00000 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    67   0.34400  1.0 1.0
   58    57    59    67   0.09450 -1.0 2.0
   58    57    59    67   0.11100  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    66    70    71   1.00000 -1.0 2.0
   58    66    70    39  -0.33500  1.0 1.0
   58    66    70    39   1.06600 -1.0 2.0
   58    66    70    39  -0.14000  1.0 3.0
   58    66    72    73  -0.66100  1.0 1.0
   58    66    72    73   1.20850 -1.0 2.0
   58    66    72    73  -0.36000  1.0 3.0
   66    70   -39    33   0.65300  1.0 1.0
   66    70   -39    33  -0.03850 -1.0 2.0
   66    70   -39    33   0.33900  1.0 3.0
   66    70    39    40   0.00000  1.0 1.0
   66    70    39    43   0.65300  1.0 1.0
   66    70    39    43  -0.03850 -1.0 2.0
   66    70    39    43   0.33900  1.0 3.0
   70    66    72    73   2.00000 -1.0 2.0
   70    39    43    44  -0.11250  1.0 3.0
   70    39    43    47  -0.95700  1.0 1.0
   70    39    43    47  -0.18200 -1.0 2.0
   70    39    43    47   0.29450  1.0 3.0
   70    39    43    51  -0.95700  1.0 1.0
   70    39    43    51  -0.18200 -1.0 2.0
   70    39    43    51   0.29450  1.0 3.0
   71    70    39    33   0.30150 -1.0 2.0
   71    70    39    40   0.00000  1.0 1.0
   71    70    39    43   0.30150 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33   -38    58   0.98200  1.0 1.0
   39    33   -38    58  -0.11900 -1.0 2.0
   39    33   -38    58   0.24250  1.0 3.0
   39    43    47    48   0.15000  1.0 3.0
   39    43    47    49   0.15000  1.0 3.0
   39    43    47    50   0.15000  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43    51    54   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    47   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    49   0.15000  1.0 3.0
   51    43    47    50   0.15000  1.0 3.0
   72    66    70    71  -0.11900  1.0 1.0
   72    66    70    71   0.76850 -1.0 2.0
   72    66    70    71   0.14100  1.0 3.0
   72    66    70    39   0.32450 -1.0 2.0
   72    66    70    39   0.17400  1.0 3.0
   59    57    58    38   0.98200  1.0 1.0
   59    57    58    38  -0.11900 -1.0 2.0
   59    57    58    38   0.24250  1.0 3.0
   59    57    58    66   0.09850  1.0 1.0
   59    57    58    66   0.15250 -1.0 2.0
   59    57    58    66  -0.50650  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    67    74    75   0.15000  1.0 3.0
   59    67    74    76   0.15000  1.0 3.0
   59    67    74    77   0.56750  1.0 1.0
   59    67    74    77  -0.07550 -1.0 2.0
   59    67    74    77   0.20000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    74   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    74   0.15000  1.0 3.0
   67    74   -77    55   0.56750  1.0 1.0
   67    74   -77    55  -0.07550 -1.0 2.0
   67    74   -77    55   0.20000  1.0 3.0
   67    74    77    78   0.56750  1.0 1.0
   67    74    77    78  -0.07550 -1.0 2.0
   67    74    77    78   0.20000  1.0 3.0
   67    74    77    82   0.56750  1.0 1.0
   67    74    77    82  -0.07550 -1.0 2.0
   67    74    77    82   0.20000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    84   0.15000  1.0 3.0
   74    77    82    85   0.15000  1.0 3.0
   75    74    77    55   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    82   0.15000  1.0 3.0
   76    74    77    55   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    82   0.15000  1.0 3.0
   77    55    57    58   0.34400  1.0 1.0
   77    55    57    58   0.09450 -1.0 2.0
   77    55    57    58   0.11100  1.0 3.0
   77    55   -57    59   0.56750  1.0 1.0
   77    55   -57    59  -0.07550 -1.0 2.0
   77    55   -57    59   0.20000  1.0 3.0
   77    55    57    62   0.56750  1.0 1.0
   77    55    57    62  -0.07550 -1.0 2.0
   77    55    57    62   0.20000  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   82    77    78    79   0.15000  1.0 3.0
   82    77    78    80   0.15000  1.0 3.0
   82    77    78    81   0.15000  1.0 3.0
   62    57    58    38   0.98200  1.0 1.0
   62    57    58    38  -0.11900 -1.0 2.0
   62    57    58    38   0.24250  1.0 3.0
   62    57    58    66   0.09850  1.0 1.0
   62    57    58    66   0.15250 -1.0 2.0
   62    57    58    66  -0.50650  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    67   0.56750  1.0 1.0
   62    57    59    67  -0.07550 -1.0 2.0
   62    57    59    67   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    58    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   41    55    45    46  10.50000 -1.0 2.0
   38    57    58    66   1.10000 -1.0 2.0
   70    72    66    58   1.10000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
END
