* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    149    231     446
    1     0 S   NP   _N1_     1    30.74023    89.66299   -20.30532
    2     1 S   H    _HN1     2     1.03238   102.87911    98.77112
    3     1 S   H    _H1_     3     1.02636    32.90420    -3.68275
    4     1 S   H    _H2_     4     1.03275   138.44751   -32.68317
    5     1 S   CT   _CA1     5     1.50006    84.70905  -150.95423
    6     5 S   HC   _HA1     6     1.09572   105.23741    77.55333
    7     5 S   CO3  _C1_     7     1.53629   113.20357   -42.92109
    8     7 S   O2Z  _O11     8     1.26321   115.37777   -43.20397
    9     7 S   O2Z  _O12     9     1.26341   114.85233   136.19565
   10     5 S   CT   _CB1    10     1.52712   106.84132  -164.94803
   11    10 S   HC   HB11    11     1.09790   108.62301   -53.58783
   12    10 S   HC   HB12    12     1.09811   110.09579    62.21899
   13    10 S   CT   _CG1    13     1.53116   114.13832  -174.79613
   14    13 S   HC   HG11    14     1.09527   111.28036   -77.06309
   15    13 S   HC   HG12    15     1.09572   110.98523    43.14738
   16    13 S   C    _CD1    16     1.51413   108.90186   162.00588
   17    16 S   O    _OE1    17     1.22868   121.82798  -106.04428
   18    16 S   N    _N2_    18     1.38429   112.93201    70.72848
   19    18 S   H    _HN2    19     1.01564   119.51574     8.96609
   20    18 S   CT1  _CA2    20     1.45375   121.95286  -164.74994
   21    20 S   HC   _HA2    21     1.09667   107.64591    32.29182
   22    20 S   C    _C2_    22     1.52752   108.97497   -84.87098
   23    22 S   O    _O2_    23     1.22886   123.23327   -30.25709
   24    20 S   CT   _CB2    32     1.53350   112.76745   154.16708
   25    24 S   HC   HB21    33     1.09669   109.72758    71.31343
   26    24 S   HC   HB22    34     1.09513   110.29639  -172.19838
   27    22 S   N    _N3_    24     1.38601   111.99891   152.95194
   28    27 S   H    _HN3    25     1.01543   119.57199    -5.74989
   29    24 S   S    _SG2    35     1.82877   115.95370   -48.67725
   30    27 S   CT   _CA3    26     1.45239   122.65294   177.44672
   31    30 S   HC   HA31    27     1.09569   108.24735   -51.44438
   32    30 S   HC   HA32    28     1.09561   107.92327    64.65146
   33    29 S   CT   _C10    36     1.82447   101.16955   -51.87440
   34    33 S   HC   _H5_    37     1.09342   105.66323    69.71382
   35    30 S   CO3  _C3_    29     1.52559   112.05451  -174.21006
   36    35 S   O2Z  _O31    30     1.26331   115.06651   -71.58165
   37    35 S   O2Z  _O32    31     1.26318   115.27354   107.24181
   38    33 S   CM   _C8_    38     1.50259   110.66126  -173.60769
   39    38 S   CT   _C7_    39     1.51239   119.97074    90.38185
   40    39 S   HC   _H4_    40     1.09962   108.19244   156.30645
   41    38 S   CMA  _C9_    80     1.51837   119.34184  -100.62409
   42    41 S   OM   _O33    81     1.26141   120.52801   103.00919
   43    41 S   OM   _O34    82     1.26220   120.76928   -76.41317
   44    39 S   CT   _C6_    41     1.55354   108.12349    40.39367
   45    44 S   HC   _H3_    42     1.10170   106.84322    65.85936
   46    39 S   CT   _C18    74     1.54282   112.30417   -85.72873
   47    46 S   HC   _H21    75     1.09372   112.21499    62.11594
   48    46 S   HC   _H22    76     1.09545   110.15701  -178.16304
   49    44 S   CO   _C11    43     1.54639   110.68066   -49.72966
   50    49 S   HC   _H6_    44     1.09628   110.68767   -60.49877
   51    44 S   CM   _C5_    69     1.51334   112.86676  -175.87887
   52    51 S   HC   _H14    70     1.08731   117.72755    73.80241
   53    46 S   CO4  _C19    77     1.50832   112.76160   -61.04448
   54    53 S   O    _O42    78     1.22798   123.06917   139.60798
   55    53 S   HC   _H23    79     1.10335   116.01362   -45.89038
   56    33 S   OS   _O35    45     1.42874   114.28868   -45.51150
   57    49 S   OS1  _O36    46     1.43630   108.06064  -179.40851
   58    51 S   CM   _C4_    71     1.33832   123.90346  -107.31165
   59    58 S   HC   _H12    72     1.08452   120.50815  -179.41852
   60    58 S   HC   _H13    73     1.08457   121.52873     0.61929
   61    57 S   CO1  _C12    47     1.43451   113.49926   174.39786
   62    61 S   HC   _H7_    48     1.09746   108.47354    58.46679
   63    61 S   CT   _C13    49     1.53512   106.98693   177.38087
   64    63 S   HC   _H8_    50     1.09698   109.70116    51.32486
   65    63 S   CT   _C14    51     1.53168   111.88596   173.28405
   66    65 S   HC   _H9_    52     1.09523   110.25280    75.47274
   67    63 S   OH5  _O41    67     1.42991   109.92924   -65.03250
   68    67 S   HO   _H20    68     0.97276   108.07865   -63.07529
   69    65 S   CT   _C15    53     1.53147   111.50042   -47.43696
   70    69 S   HC   _H10    54     1.09710   108.95753   -71.31325
   71    65 S   OH5  _O40    65     1.43050   109.39760  -168.82897
   72    71 S   HO   _H19    66     0.97214   108.12457    62.32917
   73    69 S   CT   _C16    55     1.53146   110.45197    49.56491
   74    73 S   HC   _H11    56     1.09758   111.12872    62.75549
   75    69 S   OH5  _O39    63     1.42488   109.87872   171.94524
   76    75 S   HO   _H18    64     0.97678   108.35040   -61.05205
   77    61 S   OS1  _O37    57     1.42881   111.17219   -62.74257
   78    73 S   CT   _C17    58     1.52898   111.73222  -176.29948
   79    78 S   HC   _H15    59     1.09494   111.03242    68.72137
   80    78 S   HC   _H16    60     1.09396   111.52825   -53.71805
   81    78 S   OH5  _O38    61     1.42536   109.04183  -172.64651
   82    81 S   HO   _H17    62     0.97230   107.00307  -179.28454
  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
  13   5   2   1   1  14  19   9   5   1   1  15   8   7   4   3
  10   4   6   3   2   1   1   2   8   2   1   1  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    49    50    56    57    46    41    42    43  
   38    39    49    56    41  
   36    37  
   37  
    0  
   39    40    44    45    49    56    51    46    47    48    53    41    42    43  
   40    44    45    49    50    56    57    51    52    58    46    47    48    53    54    55    41    42    43  
   44    45    49    51    46    47    48    53    41  
   42    43    44    46    56  
   43  
    0  
   45    49    50    56    57    61    51    52    58    59    60    46    47    48    53  
   49    50    56    57    51    52    58    46  
   47    48    53    54    55    49    51  
   48    53    54    55  
   53    54    55  
   50    56    57    61    62    63    77    51    52    58  
   56    57    61    51  
   52    58    59    60    56    57  
   58    59    60  
   54    55  
   55  
    0  
   57    61  
   61    62    63    64    65    73    77    67  
   59    60  
   60  
    0  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   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    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    56   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    46   268.000  1.529
   44    45   340.000  1.090
   44    49   250.000  1.527
   44    51   317.000  1.510
   49    50   340.000  1.090
   49    56   320.000  1.380
   49    57   320.000  1.380
   57    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   51    52   340.000  1.080
   51    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.522
   53    54   570.000  1.229
   53    55   340.000  1.090
   41    42   745.000  1.250
   41    43   745.000  1.250
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    56    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    56    49    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    45    37.50000  110.70000
   39    44    49    75.00000  109.43000
   39    44    51    70.00000  112.02700
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    53    63.00000  111.10000
   44    39    40    37.50000  110.70000
   44    49    50    45.00000  112.01100
   44    49    56    90.00000  108.56700
   44    49    57    90.00000  108.56700
   44    51    52    35.00000  117.00000
   44    51    58    70.00000  124.00000
   49    44    45    45.00000  108.72000
   49    57    61    90.00000  112.10700
   56    33    34    35.00000  109.50000
   56    33    38    85.00000  110.90400
   56    49    50    35.00000  109.50000
   57    49    50    35.00000  109.50000
   57    49    56    92.60000  111.55000
   57    61    62    60.00000  105.75400
   57    61    63    90.00000  109.70700
   57    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   51    44    45    35.00000  109.50000
   51    44    49    70.00000  112.02700
   51    58    59    35.00000  120.00000
   51    58    60    35.00000  120.00000
   58    51    52    35.00000  120.00000
   60    58    59    35.00000  117.00000
   46    39    40    37.50000  110.70000
   46    39    44    58.35000  112.70000
   46    53    54    80.00000  120.40000
   46    53    55    35.00000  115.00000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   55    53    54    35.00000  123.00000
   41    38    39    70.00000  124.00000
   43    41    42    65.00000  121.00000
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    56   0.13850  1.0 1.0
   24    29    33    56  -1.34450 -1.0 2.0
   24    29    33    56   0.57400  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    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  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    56    49   0.14700  1.0 1.0
   29    33    56    49  -1.16150 -1.0 2.0
   29    33    56    49   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    56    49   0.37050  1.0 3.0
   38    33    56    49  -0.77900  1.0 1.0
   38    33    56    49  -0.36900 -1.0 2.0
   38    33    56    49   0.40400  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    49   0.34400  1.0 1.0
   38    39   -44    49   0.09450 -1.0 2.0
   38    39   -44    49   0.11100  1.0 3.0
   38    39    44    51   0.31000  1.0 1.0
   38    39    44    51   0.14700 -1.0 2.0
   38    39    44    51   0.07550  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39    46    48   0.15000  1.0 3.0
   38    39    46    53  -0.98800  1.0 1.0
   38    39    46    53   0.48800 -1.0 2.0
   38    39    46    53   0.76800  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    49    50   0.15000  1.0 3.0
   39    44    49    56   0.62750  1.0 1.0
   39    44    49    56  -0.30950 -1.0 2.0
   39    44    49    56   0.27300  1.0 3.0
   39    44    49    57   0.62750  1.0 1.0
   39    44    49    57  -0.30950 -1.0 2.0
   39    44    49    57   0.27300  1.0 3.0
   39    44    51    52   0.00000  1.0 1.0
   39    44    51    58   0.09850  1.0 1.0
   39    44    51    58   0.15250 -1.0 2.0
   39    44    51    58  -0.50650  1.0 3.0
   39    46    53    54   0.30150 -1.0 2.0
   39    46    53    55   0.74550  1.0 1.0
   39    46    53    55  -0.00500 -1.0 2.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    49   0.15000  1.0 3.0
   40    39    44    51   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    53  -0.11250  1.0 3.0
   44    39    46    47   0.15000  1.0 3.0
   44    39    46    48   0.15000  1.0 3.0
   44    39    46    53  -0.95700  1.0 1.0
   44    39    46    53  -0.18200 -1.0 2.0
   44    39    46    53   0.29450  1.0 3.0
   44    49   -56    33   0.06250  1.0 1.0
   44    49   -56    33  -0.01100 -1.0 2.0
   44    49   -56    33   0.28050  1.0 3.0
   44    49    57    61   0.06250  1.0 1.0
   44    49    57    61  -0.01100 -1.0 2.0
   44    49    57    61   0.28050  1.0 3.0
   44    51    58    59   7.00000 -1.0 2.0
   44    51    58    60   7.00000 -1.0 2.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    56   0.23400  1.0 3.0
   45    44    49    57   0.23400  1.0 3.0
   45    44    51    52   0.33100  1.0 3.0
   45    44    51    58   0.00000  1.0 1.0
   49    44    51    52   0.00000  1.0 1.0
   49    44    51    58   0.09850  1.0 1.0
   49    44    51    58   0.15250 -1.0 2.0
   49    44    51    58  -0.50650  1.0 3.0
   49    57    61    62   0.37050  1.0 3.0
   49    57    61    63   0.06250  1.0 1.0
   49    57    61    63  -0.01100 -1.0 2.0
   49    57    61    63   0.28050  1.0 3.0
   49    57    61    77  -0.12700  1.0 1.0
   49    57    61    77  -1.16200 -1.0 2.0
   49    57    61    77   0.58800  1.0 3.0
   50    49    56    33   0.37050  1.0 3.0
   50    49    57    61   0.37050  1.0 3.0
   56    33   -38    39   0.09700  1.0 1.0
   56    33   -38    39   0.15600 -1.0 2.0
   56    33   -38    39  -0.50800  1.0 3.0
   56    33    38    41   0.39000  1.0 1.0
   56    33    38    41  -0.05800 -1.0 2.0
   56    33    38    41  -0.55150  1.0 3.0
   56    49    57    61  -0.53350  1.0 1.0
   56    49    57    61  -0.78350 -1.0 2.0
   56    49    57    61   0.33750  1.0 3.0
   57    49    56    33  -0.81800  1.0 1.0
   57    61    63    64   0.23400  1.0 3.0
   57    61    63    65   0.62750  1.0 1.0
   57    61    63    65  -0.30950 -1.0 2.0
   57    61    63    65   0.27300  1.0 3.0
   57    61    63    67   1.51850  1.0 1.0
   57    61    77    73  -0.70400  1.0 1.0
   57    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   51    44    49    50   0.15000  1.0 3.0
   51    44    49    56   0.61850  1.0 1.0
   51    44    49    56  -0.22750 -1.0 2.0
   51    44    49    56   0.15300  1.0 3.0
   51    44    49    57   0.61850  1.0 1.0
   51    44    49    57  -0.22750 -1.0 2.0
   51    44    49    57   0.15300  1.0 3.0
   52    51    58    59   7.00000 -1.0 2.0
   52    51    58    60   7.00000 -1.0 2.0
   46    39    44    45   0.15000  1.0 3.0
   46    39    44    49   3.97050  1.0 1.0
   46    39    44    51   0.34400  1.0 1.0
   46    39    44    51   0.09450 -1.0 2.0
   46    39    44    51   0.11100  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    55   0.00000  1.0 1.0
   48    46    53    54   0.00000  1.0 1.0
   48    46    53    55   0.00000  1.0 1.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    44   0.09850  1.0 1.0
   41    38    39    44   0.15250 -1.0 2.0
   41    38    39    44  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  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    39    38    41   1.10000 -1.0 2.0
   44    52    51    58  15.00000 -1.0 2.0
   59    60    58    51  15.00000 -1.0 2.0
   46    55    53    54  10.50000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
