* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    158    245     464
    1     0 S   NP   _N1_     1    28.79290    95.66783   -20.40534
    2     1 S   H    _HN1     2     1.02962    89.94026    28.08476
    3     1 S   H    _H1_     3     1.02830    38.09705   146.58756
    4     1 S   H    _H2_     4     1.02774    82.05372   -80.42514
    5     1 S   CT   _CA1     5     1.50137   148.37437   159.44497
    6     5 S   HC   _HA1     6     1.09574   105.24817    50.81743
    7     5 S   CO3  _C1_     7     1.53930   112.26726   -69.30985
    8     7 S   O2Z  _O11     8     1.26365   115.11082   -44.31541
    9     7 S   O2Z  _O12     9     1.26271   114.90549   134.72847
   10     5 S   CT   _CB1    10     1.53092   107.35526   168.64832
   11    10 S   HC   HB11    11     1.09821   109.57412   -50.52952
   12    10 S   HC   HB12    12     1.09763   110.19192    65.85626
   13    10 S   CT   _CG1    13     1.52968   112.65706  -171.57324
   14    13 S   HC   HG11    14     1.09445   110.43708   -56.82601
   15    13 S   HC   HG12    15     1.09625   110.11134    62.12135
   16    13 S   C    _CD1    16     1.51807   112.30893  -177.57408
   17    16 S   O    _OE1    17     1.22719   123.22340   -14.83761
   18    16 S   N    _N2_    18     1.38596   111.62490   166.24219
   19    18 S   H    _HN2    19     1.01575   118.94621     1.77354
   20    18 S   CT1  _CA2    20     1.46208   123.62410  -179.04673
   21    20 S   HC   _HA2    21     1.09717   109.60260    -3.70370
   22    20 S   C    _C2_    22     1.53414   108.20620  -119.51370
   23    22 S   O    _O2_    23     1.23025   122.25069  -143.35416
   24    20 S   CT   _CB2    32     1.53327   111.02536   118.47739
   25    24 S   HC   HB21    33     1.09450   109.49905    55.08216
   26    24 S   HC   HB22    34     1.09509   110.78417   173.40358
   27    22 S   N    _N3_    24     1.38511   113.45471    43.83109
   28    27 S   H    _HN3    25     1.01507   118.99211    -0.23323
   29    24 S   S    _SG2    35     1.82946   111.59269   -67.46221
   30    27 S   CT   _CA3    26     1.45440   123.34676   175.50059
   31    30 S   HC   HA31    27     1.09530   109.16279    26.24168
   32    30 S   HC   HA32    28     1.09497   107.14794   143.19348
   33    29 S   CT   _C15    36     1.84833   100.16832   147.39077
   34    33 S   HC   _H3_    37     1.09869   105.22437    31.19812
   35    30 S   CO3  _C3_    29     1.52910   113.12109   -97.20486
   36    35 S   O2Z  _O31    30     1.26399   115.38439   -46.26677
   37    35 S   O2Z  _O32    31     1.26354   115.00681   134.68961
   38    33 S   CM   _C8_    38     1.52127   108.16224   -84.28305
   39    33 S   CT   _C16    61     1.55277   111.96835   145.69242
   40    39 S   HC   _H34    62     1.09275   108.83010    69.73250
   41    38 S   CM   _C6_    39     1.34532   122.15347   104.87300
   42    41 S   HC   _H27    40     1.08228   124.21146     1.65221
   43    39 S   CT   _C21    63     1.53590   114.34986   -49.61884
   44    43 S   HC   _H41    64     1.09570   111.40943   -49.98361
   45    43 S   HC   _H42    65     1.09625   110.74444  -169.52845
   46    43 S   HC   _H43    66     1.09415   111.68727    71.36250
   47    41 S   CT   _C14    41     1.49628   113.22262  -179.28673
   48    47 S   HC   _H32    42     1.09659   109.15472  -102.17390
   49    47 S   CT   _C13    43     1.53245   102.14967    14.97831
   50    49 S   HC   _H30    44     1.09652   110.54040    95.07478
   51    49 S   HC   _H31    45     1.09655   110.41586  -146.33491
   52    47 S   CT   _C20    80     1.52180   112.99833   135.56597
   53    52 S   HC   _H38    81     1.09611   111.74305   -55.52727
   54    52 S   HC   _H39    82     1.09503   110.59492  -175.85835
   55    52 S   HC   _H40    83     1.09542   110.74664    64.47410
   56    38 S   CT   _C18    46     1.51513   128.55134   -75.97951
   57    56 S   CO4  _C11    47     1.50677   119.04377    40.08816
   58    57 S   O    _O22    48     1.22050   126.58991    57.74549
   59    57 S   CM   _C7_    49     1.46505   109.90667  -123.46119
   60    59 S   CM   _C9_    50     1.33574   102.81608    -0.82614
   61    59 S   CT   _C19    76     1.47696   123.69837   178.72743
   62    61 S   HC   _H35    77     1.09447   110.38652   -63.56695
   63    61 S   HC   _H36    78     1.09344   112.17256   175.95635
   64    61 S   HC   _H37    79     1.09478   110.37279    56.10433
   65    60 S   CT   _C12    51     1.51579   126.31831   175.66645
   66    65 S   HC   _H28    52     1.09805   108.16251   -19.07092
   67    65 S   HC   _H29    53     1.09792   108.12684    95.01340
   68    56 S   OS   _O23    75     1.43463   111.99242   -80.05984
   69    65 S   CT   _C17    54     1.57243   116.93226  -141.21727
   70    69 S   CM   _C5_    55     1.52245   108.08696    38.91364
   71    70 S   HC   _H26    56     1.08946   114.51367    59.18246
   72    69 S   CT   _C22    67     1.54093   109.16232   156.71773
   73    72 S   HC   _H44    68     1.09608   111.09535    58.84588
   74    72 S   HC   _H45    69     1.09651   111.61464   -61.07742
   75    72 S   HC   _H46    70     1.09645   111.24471   178.91953
   76    69 S   CT   _C23    71     1.54485   109.34811   -86.06811
   77    76 S   HC   _H47    72     1.09650   110.86497   -60.79787
   78    76 S   HC   _H48    73     1.09642   111.26327  -179.97202
   79    76 S   HC   _H49    74     1.09463   112.49774    58.96412
   80    70 S   CM   _C4_    57     1.34060   125.46323  -110.48420
   81    80 S   HC   _H25    58     1.08319   123.47734   -11.14196
   82    80 S   CO4  _C10    59     1.48417   120.32015   157.53959
   83    82 S   O    _O21    60     1.23062   118.94277   145.49498
  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
  18   7   2   1   1  18  12   7  13   5   6   3   2   1  11   8
  12   5   4   4   2   1   1   7   9   4  10  12   5   2   1   1
  15   6   5   1  13  13   5   8   3   2   1   4   2   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    82    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    49    56    57    80    82    83    39    40    43    44    45    46    68  
   38    41    56    82    39    40    43  
   36    37  
   37  
    0  
   41    42    47    48    49    50    51    56    57    58    59    60    82    39    40    43    68    52  
   40    43    44    45    46    41    56    70    80    81    82    83  
   43    44    45    46    80    82    83  
   42    47    48    49    50    51    56    57    68    52    53    54    55  
   47    48    49    56    52  
   44    45    46    80    82    83  
   45    46    82  
   46    82  
   82  
   48    49    50    51    56    57    68    52    53    54    55  
   49    50    51    56    52    53    54    55  
   50    51    56    57    58    59    60    68    52    53    54    55  
   51    56    57    68    52  
   56    57    68    52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    65    68    61  
   58    59    60    65    68    61    62    63    64  
   59    60    68    61  
   60    65    66    67    69    68    61    62    63    64  
   65    66    67    69    70    72    76    68    61    62    63    64  
   62    63    64    65    68  
   63    64  
   64  
    0  
   66    67    69    70    71    80    72    73    74    75    76    77    78    79    68  
   67    69    70    72    76    68  
   69    70    72    76    68  
   69  
   70    71    80    81    82    72    73    74    75    76    77    78    79  
   71    80    81    82    83    72    73    74    75    76    77    78    79  
   80    81    82    72    76  
   73    74    75    76    77    78    79    80  
   74    75    76  
   75    76  
   76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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  -0.069000   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   1.4250   1.2500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    56   317.000  1.510
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   317.000  1.522
   56    68   320.000  1.410
   57    58   570.000  1.229
   57    59   320.000  1.462
   59    60   549.000  1.340
   59    61   317.000  1.510
   60    65   317.000  1.510
   60    68   440.000  1.360
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   317.000  1.510
   69    72   268.000  1.529
   69    76   268.000  1.529
   70    71   340.000  1.080
   70    80   549.000  1.340
   80    81   340.000  1.080
   80    82   320.000  1.462
   82    83   570.000  1.229
   82    39   317.000  1.522
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    56    65.00000  117.92700
   33    39    82    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    47    70.00000  124.00000
   38    56    49    70.00000  112.02700
   38    56    57    70.00000  109.06800
   38    56    68    85.00000  110.90400
   41    47    48    35.00000  109.50000
   41    47    49    70.00000  112.02700
   41    47    52    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    56    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   49    47    48    37.50000  110.70000
   49    56    57    63.00000  111.10000
   49    56    68    50.00000  109.50000
   51    49    50    33.00000  107.80000
   56    38    41    70.00000  124.00000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    57    58    80.00000  120.40000
   56    57    59    65.00000  118.62400
   56    68    60    90.00000  111.18400
   57    59    60    65.00000  118.96000
   57    59    61    65.00000  116.34900
   59    57    58    80.00000  123.72100
   59    60    65    70.00000  124.00000
   59    60    68    80.00000  120.01400
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    69    70.00000  112.02700
   65    69    70    70.00000  112.02700
   65    69    72    58.35000  112.70000
   65    69    76    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    70    71    35.00000  117.00000
   69    70    80    70.00000  124.00000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   70    80    81    35.00000  120.00000
   70    80    82    65.00000  118.96000
   80    70    71    35.00000  120.00000
   80    82    83    80.00000  123.72100
   80    82    39    65.00000  118.62400
   82    80    81    40.00000  117.72500
   82    39    40    35.00000  109.50000
   82    39    43    63.00000  111.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    82    83    80.00000  120.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   43    39    40    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   72    69    70    70.00000  112.02700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    69    70    70.00000  112.02700
   76    69    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    56    57    90.00000  108.74100
   68    60    65    85.00000  112.85300
   61    59    60    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    56   0.30250  1.0 1.0
   29    33    38    56  -0.14950 -1.0 2.0
   29    33    38    56   0.36900  1.0 3.0
   29    33    39    82   0.56750  1.0 1.0
   29    33    39    82  -0.07550 -1.0 2.0
   29    33    39    82   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    47   7.00000 -1.0 2.0
   33    38    56    49   0.46850  1.0 1.0
   33    38    56    49   0.08550 -1.0 2.0
   33    38    56    49   0.09800  1.0 3.0
   33    38    56    57   0.17250  1.0 1.0
   33    38    56    57  -0.04100 -1.0 2.0
   33    38    56    57  -0.33850  1.0 3.0
   33    38    56    68   0.09700  1.0 1.0
   33    38    56    68   0.15600 -1.0 2.0
   33    38    56    68  -0.50800  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.34800  1.0 3.0
   34    33    39    82  -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    82  -0.98800  1.0 1.0
   38    33    39    82   0.48800 -1.0 2.0
   38    33    39    82   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    47    48   0.00000  1.0 1.0
   38    41   -47    49   0.09850  1.0 1.0
   38    41   -47    49   0.15250 -1.0 2.0
   38    41   -47    49  -0.50650  1.0 3.0
   38    41    47    52   0.09850  1.0 1.0
   38    41    47    52   0.15250 -1.0 2.0
   38    41    47    52  -0.50650  1.0 3.0
   38    56    57    58   0.30150 -1.0 2.0
   38    56    57    59   0.65300  1.0 1.0
   38    56    57    59  -0.03850 -1.0 2.0
   38    56    57    59   0.33900  1.0 3.0
   38    56    68    60  -0.48150  1.0 1.0
   38    56    68    60   0.09250 -1.0 2.0
   38    56    68    60  -0.12850  1.0 3.0
   41    38   -56    49   0.09850  1.0 1.0
   41    38   -56    49   0.15250 -1.0 2.0
   41    38   -56    49  -0.50650  1.0 3.0
   41    38    56    57  -0.51250  1.0 1.0
   41    38    56    57  -0.88800 -1.0 2.0
   41    38    56    57   0.08850  1.0 3.0
   41    38    56    68   0.39000  1.0 1.0
   41    38    56    68  -0.05800 -1.0 2.0
   41    38    56    68  -0.55150  1.0 3.0
   41    47    49    50   0.15000  1.0 3.0
   41    47    49    51   0.15000  1.0 3.0
   41    47   -49    56   0.34400  1.0 1.0
   41    47   -49    56   0.09450 -1.0 2.0
   41    47   -49    56   0.11100  1.0 3.0
   41    47    52    53   0.15000  1.0 3.0
   41    47    52    54   0.15000  1.0 3.0
   41    47    52    55   0.15000  1.0 3.0
   42    41    47    48   0.33100  1.0 3.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    52   0.00000  1.0 1.0
   47    49   -56    38   0.34400  1.0 1.0
   47    49   -56    38   0.09450 -1.0 2.0
   47    49   -56    38   0.11100  1.0 3.0
   47    49    56    57  -0.95700  1.0 1.0
   47    49    56    57  -0.18200 -1.0 2.0
   47    49    56    57   0.29450  1.0 3.0
   47    49    56    68   0.62750  1.0 1.0
   47    49    56    68  -0.30950 -1.0 2.0
   47    49    56    68   0.27300  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    56   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    55   0.15000  1.0 3.0
   49    56    57    58   0.30150 -1.0 2.0
   49    56    57    59   0.65300  1.0 1.0
   49    56    57    59  -0.03850 -1.0 2.0
   49    56    57    59   0.33900  1.0 3.0
   49    56    68    60  -0.46850  1.0 1.0
   49    56    68    60   0.09300 -1.0 2.0
   49    56    68    60  -0.12850  1.0 3.0
   50    49    56    38   0.15000  1.0 3.0
   50    49    56    57  -0.11250  1.0 3.0
   50    49    56    68   0.23400  1.0 3.0
   51    49    56    38   0.15000  1.0 3.0
   51    49    56    57  -0.11250  1.0 3.0
   51    49    56    68   0.23400  1.0 3.0
   56    38    41    42   7.00000 -1.0 2.0
   56    38   -41    47   7.00000 -1.0 2.0
   56    57   -59    60  -0.33500  1.0 1.0
   56    57   -59    60   1.06600 -1.0 2.0
   56    57   -59    60  -0.14000  1.0 3.0
   56    57    59    61   0.25700  1.0 1.0
   56    57    59    61   0.66200 -1.0 2.0
   56    57    59    61   0.04450  1.0 3.0
   57    56   -68    60  -0.48150  1.0 1.0
   57    56   -68    60   0.09250 -1.0 2.0
   57    56   -68    60  -0.12850  1.0 3.0
   57    59    60    65   7.00000 -1.0 2.0
   57    59   -60    68   7.00000 -1.0 2.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    63   0.15000  1.0 3.0
   57    59    61    64   0.15000  1.0 3.0
   58    57    59    60   1.00000 -1.0 2.0
   58    57    59    61  -0.64400  1.0 1.0
   58    57    59    61   0.26850 -1.0 2.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    69   0.09850  1.0 1.0
   59    60    65    69   0.15250 -1.0 2.0
   59    60    65    69  -0.50650  1.0 3.0
   59    60   -68    56  -2.26850  1.0 1.0
   59    60   -68    56   3.39050 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    64   0.00000  1.0 1.0
   60    65    69    70   0.31000  1.0 1.0
   60    65    69    70   0.14700 -1.0 2.0
   60    65    69    70   0.07550  1.0 3.0
   60    65    69    72   0.34400  1.0 1.0
   60    65    69    72   0.09450 -1.0 2.0
   60    65    69    72   0.11100  1.0 3.0
   60    65    69    76   0.34400  1.0 1.0
   60    65    69    76   0.09450 -1.0 2.0
   60    65    69    76   0.11100  1.0 3.0
   65    60    68    56   2.00000 -1.0 2.0
   65    69    70    71   0.00000  1.0 1.0
   65    69    70    80   0.09850  1.0 1.0
   65    69    70    80   0.15250 -1.0 2.0
   65    69    70    80  -0.50650  1.0 3.0
   65    69    72    73   0.15000  1.0 3.0
   65    69    72    74   0.15000  1.0 3.0
   65    69    72    75   0.15000  1.0 3.0
   65    69    76    77   0.15000  1.0 3.0
   65    69    76    78   0.15000  1.0 3.0
   65    69    76    79   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   66    65    69    76   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    72   0.15000  1.0 3.0
   67    65    69    76   0.15000  1.0 3.0
   69    70    80    81   7.00000 -1.0 2.0
   69    70    80    82   7.00000 -1.0 2.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    79   0.15000  1.0 3.0
   70    80    82    83   1.00000 -1.0 2.0
   70    80    82    39  -0.33500  1.0 1.0
   70    80    82    39   1.06600 -1.0 2.0
   70    80    82    39  -0.14000  1.0 3.0
   71    70    80    81   7.00000 -1.0 2.0
   71    70    80    82   7.00000 -1.0 2.0
   80    82    39    33   0.65300  1.0 1.0
   80    82    39    33  -0.03850 -1.0 2.0
   80    82    39    33   0.33900  1.0 3.0
   80    82    39    40   0.00000  1.0 1.0
   80    82    39    43   0.65300  1.0 1.0
   80    82    39    43  -0.03850 -1.0 2.0
   80    82    39    43   0.33900  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    39   0.04550  1.0 1.0
   81    80    82    39   0.83000 -1.0 2.0
   81    80    82    39  -0.04000  1.0 3.0
   82    39    43    44  -0.11250  1.0 3.0
   82    39    43    45  -0.11250  1.0 3.0
   82    39    43    46  -0.11250  1.0 3.0
   83    82    39    33   0.30150 -1.0 2.0
   83    82    39    40   0.00000  1.0 1.0
   83    82    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    56   0.46850  1.0 1.0
   39    33    38    56   0.08550 -1.0 2.0
   39    33    38    56   0.09800  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   72    69    70    71   0.00000  1.0 1.0
   72    69    70    80   0.09850  1.0 1.0
   72    69    70    80   0.15250 -1.0 2.0
   72    69    70    80  -0.50650  1.0 3.0
   72    69    76    77   0.15000  1.0 3.0
   72    69    76    78   0.15000  1.0 3.0
   72    69    76    79   0.15000  1.0 3.0
   76    69    70    71   0.00000  1.0 1.0
   76    69    70    80   0.09850  1.0 1.0
   76    69    70    80   0.15250 -1.0 2.0
   76    69    70    80  -0.50650  1.0 3.0
   76    69    72    73   0.15000  1.0 3.0
   76    69    72    74   0.15000  1.0 3.0
   76    69    72    75   0.15000  1.0 3.0
   68    56    57    58   0.30150 -1.0 2.0
   68    56   -57    59   0.65300  1.0 1.0
   68    56   -57    59  -0.03850 -1.0 2.0
   68    56   -57    59   0.33900  1.0 3.0
   68    60    65    66   0.00000  1.0 1.0
   68    60    65    67   0.00000  1.0 1.0
   68    60    65    69   0.09700  1.0 1.0
   68    60    65    69   0.15600 -1.0 2.0
   68    60    65    69  -0.50800  1.0 3.0
   61    59    60    65   7.00000 -1.0 2.0
   61    59    60    68   7.00000 -1.0 2.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    56   0.56750  1.0 1.0
   52    47    49    56  -0.07550 -1.0 2.0
   52    47    49    56   0.20000  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
   37    30    35    36  10.50000 -1.0 2.0
   33    56    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   56    59    57    58  10.50000 -1.0 2.0
   57    61    59    60   1.10000 -1.0 2.0
   65    68    60    59   1.10000 -1.0 2.0
   69    71    70    80   1.10000 -1.0 2.0
   82    81    80    70   1.10000 -1.0 2.0
   80    39    82    83  10.50000 -1.0 2.0
END
