* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    152    227     452
    1     0 S   NP   _N1_     1    28.80293    94.36114   -21.14570
    2     1 S   H    _HN1     2     1.02964    94.99636     4.05405
    3     1 S   H    _H1_     3     1.02842    34.41071   117.04156
    4     1 S   H    _H2_     4     1.02782    81.89663  -103.81100
    5     1 S   CT   _CA1     5     1.50082   143.63678   139.23796
    6     5 S   HC   _HA1     6     1.09536   105.39720    46.14714
    7     5 S   CO3  _C1_     7     1.54000   112.47325   -74.69379
    8     7 S   O2Z  _O11     8     1.26391   115.10331   -37.71352
    9     7 S   O2Z  _O12     9     1.26252   115.11957   141.99955
   10     5 S   CT   _CB1    10     1.53145   107.56447   164.84117
   11    10 S   HC   HB11    11     1.09810   110.22397   -43.82094
   12    10 S   HC   HB12    12     1.09833   109.82231    72.83102
   13    10 S   CT   _CG1    13     1.53088   112.55180  -164.71135
   14    13 S   HC   HG11    14     1.09501   110.54473   -49.18431
   15    13 S   HC   HG12    15     1.09593   110.19618    70.00198
   16    13 S   C    _CD1    16     1.51685   112.13399  -168.97890
   17    16 S   O    _OE1    17     1.22717   123.24866   -10.20178
   18    16 S   N    _N2_    18     1.38635   111.58506   168.86744
   19    18 S   H    _HN2    19     1.01538   119.23816     6.46717
   20    18 S   CT1  _CA2    20     1.46125   123.08769  -170.03940
   21    20 S   HC   _HA2    21     1.09721   109.30260    -9.80596
   22    20 S   C    _C2_    22     1.53249   108.98046  -126.05225
   23    22 S   O    _O2_    23     1.23022   122.13586  -146.57685
   24    20 S   CT   _CB2    32     1.53638   111.09328   111.44487
   25    24 S   HC   HB21    33     1.09617   109.88032    61.88293
   26    24 S   HC   HB22    34     1.09528   110.26210  -179.12979
   27    22 S   N    _N3_    24     1.38477   113.42569    40.81117
   28    27 S   H    _HN3    25     1.01526   118.91429    -0.48497
   29    24 S   S    _SG2    35     1.82706   111.86075   -58.45372
   30    27 S   CT   _CA3    26     1.45445   123.38245   175.15237
   31    30 S   HC   HA31    27     1.09528   109.16069    25.84548
   32    30 S   HC   HA32    28     1.09494   107.14097   142.82818
   33    29 S   CT   _C9_    36     1.82721    99.23169   178.42903
   34    33 S   HC   _H16    37     1.09213   106.92669    77.74555
   35    33 S   HC   _H17    38     1.09499   108.47268   -39.91831
   36    30 S   CO3  _C3_    29     1.52929   113.16624   -97.58424
   37    36 S   O2Z  _O31    30     1.26398   115.41852   -44.45450
   38    36 S   O2Z  _O32    31     1.26359   114.97511   136.49278
   39    33 S   CT   _C8_    39     1.53714   109.94393  -160.60857
   40    39 S   HC   _H5_    40     1.09773   110.60075   -44.29874
   41    39 S   CT   _C7_    41     1.54836   112.77159  -167.09631
   42    41 S   HC   _H4_    42     1.09552   107.75379  -168.56742
   43    39 S   OS   _O33    56     1.44032   106.87857    76.31725
   44    41 S   CT   _C6_    43     1.53833   113.98006    69.93884
   45    44 S   HC   _H3_    44     1.09567   109.49058   -61.26204
   46    41 S   OH   _O39    54     1.42920   109.66809   -52.70149
   47    46 S   HO   _H27    55     0.97404   106.80519   -52.87642
   48    43 S   CO   _C10    57     1.43352   114.20800  -130.75910
   49    48 S   HC   _H6_    58     1.09821   108.53067    58.60601
   50    44 S   CT   _C5_    45     1.53857   113.87326   179.25559
   51    50 S   HC   _H14    46     1.09589   110.12473    61.34533
   52    50 S   HC   _H15    47     1.09734   108.43718   177.93389
   53    44 S   OH   _O40    52     1.42534   109.29942    56.34525
   54    53 S   HO   _H28    53     0.97242   107.67510  -178.80025
   55    48 S   CT   _C11    59     1.54212   107.69807   178.14343
   56    55 S   HC   _H7_    60     1.09837   108.77350    53.35648
   57    50 S   CT   _C4_    48     1.52347   114.39891   -62.18842
   58    57 S   HC   _H11    49     1.09424   111.47230   -55.40127
   59    57 S   HC   _H12    50     1.09374   111.49674    66.06173
   60    57 S   HC   _H13    51     1.09495   109.89626  -174.89201
   61    55 S   CT   _C12    61     1.53619   111.14325   173.29884
   62    61 S   HC   _H8_    62     1.09584   110.33196    74.77446
   63    55 S   N    _N4_    77     1.46626   111.04062   -64.09129
   64    63 S   H    _H23    78     1.01890   117.89796   -87.54725
   65    61 S   CT   _C13    63     1.53233   111.90474   -47.31809
   66    65 S   HC   _H9_    64     1.09705   109.06560   -72.12958
   67    61 S   OH   _O37    75     1.43044   109.73261  -168.62167
   68    67 S   HO   _H22    76     0.97225   108.10645    59.81577
   69    63 S   C    _C16    79     1.38319   123.13406    90.87627
   70    69 S   O    _O38    80     1.22827   125.60662     0.74677
   71    65 S   CT   _C14    65     1.52993   110.74271    49.17082
   72    71 S   HC   _H10    66     1.09831   111.09928    63.76801
   73    65 S   OH   _O36    73     1.42650   109.67210   171.03216
   74    73 S   HO   _H21    74     0.97302   108.06483   -55.83441
   75    69 S   CT   _C17    81     1.50448   112.67708  -177.97754
   76    75 S   HC   _H24    82     1.09263   109.17509    81.42613
   77    75 S   HC   _H25    83     1.09353   109.51850  -158.92775
   78    75 S   HC   _H26    84     1.09338   110.91189   -39.30391
   79    48 S   OS   _O34    67     1.42892   110.58393   -61.87152
   80    71 S   CT   _C15    68     1.52969   111.58967  -175.21849
   81    80 S   HC   _H18    69     1.09507   111.00118    68.99557
   82    80 S   HC   _H19    70     1.09395   111.57413   -53.42615
   83    80 S   OH   _O35    71     1.42506   109.04801  -172.38681
   84    83 S   HO   _H20    72     0.97227   107.04123  -177.85406
  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   7   5   4   3
  10   5   4   2   1   1  14   6  13   7  10  12   7   3   1  14
   6   8   6   5   2   1  15   8   3   2   1   1  14   7  10   3
  12   7   3   1   5   4   9   6   3   1   3   2   1   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    46    43    48  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    50    53    46    47    43    48    49    55    79  
   41    42    44    46    43    48  
   42    44    45    50    51    52    57    53    54    46    47    43    48  
   44    45    50    53    46    47    43  
   48    49    55    56    61    71    79    63    44    46  
   45    50    51    52    57    58    59    60    53    54    46    47  
   50    51    52    57    53    54    46  
   47    50    53  
    0  
   49    55    56    61    62    65    71    72    79    80    67    63    64    69  
   55    56    61    71    79    63  
   51    52    57    58    59    60    53    54  
   52    57    58    59    60    53  
   57    58    59    60    53  
   54    57  
    0  
   56    61    62    65    66    71    79    73    67    68    63    64    69    70    75  
   61    62    65    79    67    63    64    69  
   58    59    60  
   59    60  
   60  
    0  
   62    65    66    71    72    79    80    73    74    67    68    63    64    69  
   65    66    71    73    67    68    63  
   64    69    70    75    76    77    78    65    67    79  
   69    70    75  
   66    71    72    79    80    81    82    83    73    74    67    68  
   71    72    79    80    73    74    67  
   68    71    73  
    0  
   70    75    76    77    78  
   75    76    77    78  
   72    79    80    81    82    83    84    73    74  
   79    80    81    82    83    73  
   74    79    80  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   320.000  1.410
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    54   553.000  0.945
   46    47   553.000  0.945
   43    48   320.000  1.380
   48    49   340.000  1.090
   48    55   250.000  1.527
   48    79   320.000  1.380
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   337.000  1.449
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    73   320.000  1.410
   71    72   340.000  1.090
   71    79   320.000  1.410
   71    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   553.000  0.945
   73    74   553.000  0.945
   67    68   553.000  0.945
   63    64   434.000  1.010
   63    69   490.000  1.335
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    43    48    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    50    58.35000  112.70000
   41    44    53    50.00000  109.50000
   41    46    47    55.00000  108.50000
   44    41    42    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    57    58.35000  112.70000
   44    53    54    55.00000  108.50000
   50    44    45    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    50    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    44    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    55    90.00000  108.56700
   43    48    79    92.60000  111.55000
   48    55    56    45.00000  108.72000
   48    55    61    75.00000  109.43000
   48    55    63    70.00000  110.72300
   48    79    71    60.00000  109.50000
   55    48    49    45.00000  112.01100
   55    61    62    37.50000  110.70000
   55    61    65    58.35000  112.70000
   55    61    67    50.00000  109.50000
   55    63    64    38.00000  118.40000
   55    63    69    50.00000  121.90000
   61    55    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    71    58.35000  112.70000
   61    65    73    50.00000  109.50000
   61    67    68    55.00000  108.50000
   65    61    62    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    79    50.00000  109.50000
   65    71    80    58.35000  112.70000
   65    73    74    55.00000  108.50000
   71    65    66    37.50000  110.70000
   71    80    81    37.50000  110.70000
   71    80    82    37.50000  110.70000
   71    80    83    50.00000  109.50000
   79    48    49    35.00000  109.50000
   79    48    55    90.00000  108.56700
   79    71    72    35.00000  109.50000
   80    71    72    37.50000  110.70000
   80    71    79    50.00000  109.50000
   80    83    84    55.00000  108.50000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   73    65    66    35.00000  109.50000
   73    65    71    50.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    65    50.00000  109.50000
   63    55    56    35.00000  109.50000
   63    55    61    70.00000  110.72300
   63    69    70    80.00000  122.90000
   63    69    75    70.00000  116.60000
   69    63    64    35.00000  119.80000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   75    69    70    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    43    48   0.06250  1.0 1.0
   33    39    43    48  -0.01100 -1.0 2.0
   33    39    43    48   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    50   0.56750  1.0 1.0
   39    41    44    50  -0.07550 -1.0 2.0
   39    41    44    50   0.20000  1.0 3.0
   39    41    44    53   0.86500  1.0 1.0
   39    41    44    53  -0.17500 -1.0 2.0
   39    41    44    53   0.20800  1.0 3.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   39    43    48    49   0.37050  1.0 3.0
   39    43    48    55   0.06250  1.0 1.0
   39    43    48    55  -0.01100 -1.0 2.0
   39    43    48    55   0.28050  1.0 3.0
   39    43    48    79  -0.53350  1.0 1.0
   39    43    48    79  -0.78350 -1.0 2.0
   39    43    48    79   0.33750  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    43    48   0.37050  1.0 3.0
   41    39    43    48   0.06250  1.0 1.0
   41    39    43    48  -0.01100 -1.0 2.0
   41    39    43    48   0.28050  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    57   0.56750  1.0 1.0
   41    44    50    57  -0.07550 -1.0 2.0
   41    44    50    57   0.20000  1.0 3.0
   41    44    53    54  -0.11600  1.0 1.0
   41    44    53    54  -0.09450 -1.0 2.0
   41    44    53    54   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    50   0.15000  1.0 3.0
   42    41    44    53   0.23400  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   44    41    46    47  -0.11600  1.0 1.0
   44    41    46    47  -0.09450 -1.0 2.0
   44    41    46    47   0.21250  1.0 3.0
   44    50    57    58   0.15000  1.0 3.0
   44    50    57    59   0.15000  1.0 3.0
   44    50    57    60   0.15000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    57   0.15000  1.0 3.0
   45    44    53    54   0.19450  1.0 3.0
   50    44    53    54  -0.11600  1.0 1.0
   50    44    53    54  -0.09450 -1.0 2.0
   50    44    53    54   0.21250  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   53    44    50    51   0.23400  1.0 3.0
   53    44    50    52   0.23400  1.0 3.0
   53    44    50    57   0.86500  1.0 1.0
   53    44    50    57  -0.17500 -1.0 2.0
   53    44    50    57   0.20800  1.0 3.0
   46    41    44    45   0.23400  1.0 3.0
   46    41    44    50   0.86500  1.0 1.0
   46    41    44    50  -0.17500 -1.0 2.0
   46    41    44    50   0.20800  1.0 3.0
   46    41    44    53   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    44   0.62750  1.0 1.0
   43    39    41    44  -0.30950 -1.0 2.0
   43    39    41    44   0.27300  1.0 3.0
   43    39    41    46   3.69350  1.0 1.0
   43    39    41    46  -1.82950 -1.0 2.0
   43    48    55    56   0.23400  1.0 3.0
   43    48    55    61   0.62750  1.0 1.0
   43    48    55    61  -0.30950 -1.0 2.0
   43    48    55    61   0.27300  1.0 3.0
   43    48    55    63   1.12100  1.0 1.0
   43    48    55    63  -0.16500 -1.0 2.0
   43    48    79    71  -0.81800  1.0 1.0
   48    55    61    62   0.15000  1.0 3.0
   48    55    61    65   3.97050  1.0 1.0
   48    55    61    67   0.86500  1.0 1.0
   48    55    61    67  -0.17500 -1.0 2.0
   48    55    61    67   0.20800  1.0 3.0
   48    55    63    64   0.00000  1.0 1.0
   48    55    63    69  -0.43950  1.0 1.0
   48    55    63    69  -0.08100 -1.0 2.0
   48    55    63    69   0.03350  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    61   0.15000  1.0 3.0
   49    48    55    63   0.15000  1.0 3.0
   49    48    79    71   0.37050  1.0 3.0
   55    48    79    71   0.06250  1.0 1.0
   55    48    79    71  -0.01100 -1.0 2.0
   55    48    79    71   0.28050  1.0 3.0
   55    61    65    66   0.15000  1.0 3.0
   55    61   -65    71   0.56750  1.0 1.0
   55    61   -65    71  -0.07550 -1.0 2.0
   55    61   -65    71   0.20000  1.0 3.0
   55    61    65    73   0.86500  1.0 1.0
   55    61    65    73  -0.17500 -1.0 2.0
   55    61    65    73   0.20800  1.0 3.0
   55    61    67    68  -0.11600  1.0 1.0
   55    61    67    68  -0.09450 -1.0 2.0
   55    61    67    68   0.21250  1.0 3.0
   55    63    69    70   3.04450 -1.0 2.0
   55    63    69    75   1.49850  1.0 1.0
   55    63    69    75   1.53950 -1.0 2.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    65   0.15000  1.0 3.0
   56    55    61    67   0.23400  1.0 3.0
   56    55    63    64   0.00000  1.0 1.0
   56    55    63    69   0.00000  1.0 1.0
   61    55    63    64   0.00000  1.0 1.0
   61    55    63    69  -0.43950  1.0 1.0
   61    55    63    69  -0.08100 -1.0 2.0
   61    55    63    69   0.03350  1.0 3.0
   61    65    71    72   0.15000  1.0 3.0
   61    65    71    79   0.62750  1.0 1.0
   61    65    71    79  -0.30950 -1.0 2.0
   61    65    71    79   0.27300  1.0 3.0
   61    65    71    80   0.56750  1.0 1.0
   61    65    71    80  -0.07550 -1.0 2.0
   61    65    71    80   0.20000  1.0 3.0
   61    65    73    74  -0.11600  1.0 1.0
   61    65    73    74  -0.09450 -1.0 2.0
   61    65    73    74   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    71   0.15000  1.0 3.0
   62    61    65    73   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68  -0.11600  1.0 1.0
   65    61    67    68  -0.09450 -1.0 2.0
   65    61    67    68   0.21250  1.0 3.0
   65    71   -79    48   0.06250  1.0 1.0
   65    71   -79    48  -0.01100 -1.0 2.0
   65    71   -79    48   0.28050  1.0 3.0
   65    71    80    81   0.15000  1.0 3.0
   65    71    80    82   0.15000  1.0 3.0
   65    71    80    83   0.86500  1.0 1.0
   65    71    80    83  -0.17500 -1.0 2.0
   65    71    80    83   0.20800  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    79   0.23400  1.0 3.0
   66    65    71    80   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   71    65    73    74  -0.11600  1.0 1.0
   71    65    73    74  -0.09450 -1.0 2.0
   71    65    73    74   0.21250  1.0 3.0
   71    80    83    84  -0.11600  1.0 1.0
   71    80    83    84  -0.09450 -1.0 2.0
   71    80    83    84   0.21250  1.0 3.0
   72    71    79    48   0.37050  1.0 3.0
   72    71    80    81   0.15000  1.0 3.0
   72    71    80    82   0.15000  1.0 3.0
   72    71    80    83   0.23400  1.0 3.0
   79    48    55    56   0.23400  1.0 3.0
   79    48   -55    61   0.62750  1.0 1.0
   79    48   -55    61  -0.30950 -1.0 2.0
   79    48   -55    61   0.27300  1.0 3.0
   79    48    55    63   1.12100  1.0 1.0
   79    48    55    63  -0.16500 -1.0 2.0
   79    71    80    81   0.23400  1.0 3.0
   79    71    80    82   0.23400  1.0 3.0
   79    71    80    83   3.69350  1.0 1.0
   79    71    80    83  -1.82950 -1.0 2.0
   80    71    79    48   0.06250  1.0 1.0
   80    71    79    48  -0.01100 -1.0 2.0
   80    71    79    48   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    79   3.69350  1.0 1.0
   73    65    71    79  -1.82950 -1.0 2.0
   73    65    71    80   0.86500  1.0 1.0
   73    65    71    80  -0.17500 -1.0 2.0
   73    65    71    80   0.20800  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    71   0.86500  1.0 1.0
   67    61    65    71  -0.17500 -1.0 2.0
   67    61    65    71   0.20800  1.0 3.0
   67    61    65    73   3.75450  1.0 1.0
   63    55    61    62   0.15000  1.0 3.0
   63    55    61    65  -0.27100  1.0 1.0
   63    55    61    65  -0.01700 -1.0 2.0
   63    55    61    65  -0.48600  1.0 3.0
   63    55    61    67   2.76900  1.0 1.0
   63    55    61    67  -0.24350 -1.0 2.0
   63    55    61    67  -0.78250  1.0 3.0
   63    69    75    76   0.00000  1.0 1.0
   63    69    75    77   0.00000  1.0 1.0
   63    69    75    78   0.00000  1.0 1.0
   64    63    69    70   2.45000 -1.0 2.0
   64    63    69    75   2.45000 -1.0 2.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.00000  1.0 1.0
   70    69    75    78   0.00000  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   64    69    63    55   1.00000 -1.0 2.0
   63    75    69    70  10.50000 -1.0 2.0
END
