* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    142    222     424
    1     0 S   NP   _N1_     1    29.94767    92.12304   -25.25950
    2     1 S   H    _HN1     2     1.02953    88.15526    20.38543
    3     1 S   H    _H1_     3     1.02830    18.91706  -161.62061
    4     1 S   H    _H2_     4     1.02782   114.68734   -89.01758
    5     1 S   CT   _CA1     5     1.50116   119.84535   132.94241
    6     5 S   HC   _HA1     6     1.09570   105.22413    77.56068
    7     5 S   CO3  _C1_     7     1.53790   112.39069   -42.70392
    8     7 S   O2Z  _O11     8     1.26368   114.99866   -43.41155
    9     7 S   O2Z  _O12     9     1.26238   114.93672   135.69781
   10     5 S   CT   _CB1    10     1.53060   107.41978  -164.45726
   11    10 S   HC   HB11    11     1.09828   109.39101   -49.82987
   12    10 S   HC   HB12    12     1.09811   110.41711    66.76049
   13    10 S   CT   _CG1    13     1.53004   112.63696  -170.88600
   14    13 S   HC   HG11    14     1.09588   110.51811   -64.07588
   15    13 S   HC   HG12    15     1.09653   109.95929    55.22717
   16    13 S   C    _CD1    16     1.51746   112.17675   175.58607
   17    16 S   O    _OE1    17     1.22737   123.18187     0.67782
   18    16 S   N    _N2_    18     1.38669   111.70832  -179.33736
   19    18 S   H    _HN2    19     1.01570   119.07880     2.05785
   20    18 S   CT1  _CA2    20     1.46107   123.27545   179.64612
   21    20 S   HC   _HA2    21     1.09437   109.14173    -1.35855
   22    20 S   C    _C2_    22     1.53412   108.52000  -115.92706
   23    22 S   O    _O2_    23     1.23022   122.48160  -144.78037
   24    20 S   CT   _CB2    32     1.53425   111.91860   121.23090
   25    24 S   HC   HB21    33     1.09677   109.34533    66.05004
   26    24 S   HC   HB22    34     1.09527   110.78329  -177.30761
   27    22 S   N    _N3_    24     1.38405   113.42031    42.56410
   28    27 S   H    _HN3    25     1.01606   119.53672    -3.21753
   29    24 S   S    _SG2    35     1.83361   115.32810   -53.11876
   30    27 S   CT   _CA3    26     1.45259   123.11161   176.81058
   31    30 S   HC   HA31    27     1.09554   107.51266   -63.93565
   32    30 S   HC   HA32    28     1.09557   107.96305    52.47730
   33    29 S   CT   _C11    36     1.83993   101.03042   -63.04854
   34    33 S   HC   _H3_    37     1.09110   106.06229    48.63833
   35    30 S   CO3  _C3_    29     1.52932   114.13292   174.48367
   36    35 S   O2Z  _O31    30     1.26367   116.07875    -0.69182
   37    35 S   O2Z  _O32    31     1.26433   114.40602   179.36665
   38    33 S   CA   _C7_    38     1.52339   110.55419   163.75175
   39    33 S   CM   _C12    54     1.51238   110.06304   -70.86345
   40    39 S   HC   _H13    55     1.09114   115.70962   -62.04910
   41    38 S   CA   _C8_    39     1.40315   122.19477    67.21406
   42    41 S   HA   _H10    40     1.08717   120.60631    -0.18557
   43    39 S   CMA  _C13    56     1.35632   126.71183   118.25129
   44    43 S   OM   _O35    57     1.26719   124.01701  -179.16866
   45    41 S   CA   _C9_    41     1.39443   120.60455   179.94065
   46    45 S   HA   _H11    42     1.08617   119.29211  -180.00000
   47    43 S   OS   _O36    58     1.41073   111.99790    -2.39392
   48    45 S   CA   _C10    43     1.39461   119.76174    -0.03956
   49    47 S   CT   _C14    59     1.44495   116.61541   130.04416
   50    49 S   HC   _H14    60     1.09750   110.84523    28.62029
   51    48 S   CA   _C5_    44     1.39828   121.06415     0.10835
   52    48 S   OH   _O34    52     1.37029   119.82628  -179.85735
   53    52 S   HO   _H12    53     0.97197   108.71783    -0.24945
   54    49 S   CT   _C15    61     1.53745   105.92031   147.23818
   55    54 S   HC   _H4_    62     1.09740   109.66016    46.64864
   56    38 S   CA   _C6_    45     1.40914   119.16588  -112.52349
   57    56 S   HA   _H9_    46     1.08637   118.14312     0.18238
   58    51 S   OS   _O33    47     1.37067   116.27795  -179.86583
   59    54 S   CT   _C16    63     1.53011   112.65250   169.98402
   60    59 S   HC   _H15    64     1.09869   109.53039    68.99257
   61    59 S   HC   _H16    65     1.09837   108.00719  -176.54096
   62    54 S   OH   _O41    79     1.42954   108.86856   -69.73433
   63    62 S   HO   _H21    80     0.97213   107.40874   175.15754
   64    58 S   CT   _C4_    48     1.42283   117.06106   177.75598
   65    64 S   HC   _H6_    49     1.09426   107.73292  -178.57797
   66    64 S   HC   _H7_    50     1.09490   111.10331    63.75562
   67    64 S   HC   _H8_    51     1.09526   111.21217   -60.82872
   68    59 S   CT   _C17    66     1.53034   112.24190   -54.07066
   69    68 S   CT   _C18    67     1.52614   110.36155    54.52472
   70    69 S   HC   _H17    68     1.09831   110.13182  -176.18638
   71    69 S   HC   _H18    69     1.09837   110.86064    67.22499
   72    68 S   CO3  _C20    74     1.55070   107.40488   179.66545
   73    72 S   O2Z  _O39    75     1.26244   116.35557  -108.78417
   74    72 S   O2Z  _O38    76     1.26692   114.60776    71.21997
   75    68 S   OH   _O40    77     1.43368   109.04231   -64.19689
   76    75 S   HO   _H20    78     0.97464   106.99413   -69.44937
   77    49 S   CT   _C19    70     1.53836   108.81287   -93.50219
   78    77 S   HC   _H5_    71     1.09644   109.64988   -45.14039
   79    77 S   OH   _O37    72     1.42849   109.48355    71.90029
   80    79 S   HO   _H19    73     0.97202   107.52691  -175.34041
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  10   7
  16   8   9   3   1  13   7   3   1   4  14   6   5   3   1   3
   2   1   1  11  11   6   5   5   2   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    56    57    58    39    40    43  
   40    43    44    47    49    41    56  
   43    44    47  
   42    45    46    48    51    56    57    52  
   45    46    48    56  
   44    47    49    50    54    77  
   47    49  
   46    48    51    56    58    52    53  
   48    51    52  
   49    50    54    55    59    69    77    78    79    62  
   51    56    57    58    64    52    53  
   50    54    55    59    60    61    68    69    70    71    77    78    79    80    62    63  
   54    55    59    69    77    78    79    62  
   56    57    58    64    65    66    67    52    53  
   53    56    58  
    0  
   55    59    60    61    68    69    77    78    79    72    75    62    63  
   59    60    61    68    77    62    63  
   57    58    64  
   58  
   64    65    66    67  
   60    61    68    69    70    71    77    72    73    74    75    76    62    63  
   61    68    69    72    75    62  
   68    69    72    75    62  
   63    68    77  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    77    78    79    72    73    74    75    76  
   70    71    77    78    79    80    72    73    74    75    76  
   71    77    78    79    72    75  
   77    78    79    72    75  
   73    74    75    76    77  
   74    75  
   75  
   76    77  
    0  
   78    79    80  
   79    80  
   80  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   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    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    56   469.000  1.400
   51    58   450.000  1.364
   56    57   367.000  1.080
   58    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    77   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   268.000  1.529
   68    69   268.000  1.529
   68    72   317.000  1.522
   68    75   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   320.000  1.410
   79    80   553.000  0.945
   72    73   656.000  1.250
   72    74   656.000  1.250
   75    76   553.000  0.945
   62    63   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    58    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    64    75.00000  111.00000
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    50.00000  109.50000
   47    49    77    50.00000  109.50000
   49    54    55    37.50000  110.70000
   49    54    59    58.35000  112.70000
   49    54    62    50.00000  109.50000
   49    77    69    58.35000  112.70000
   49    77    78    37.50000  110.70000
   49    77    79    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    68    58.35000  112.70000
   54    62    63    55.00000  108.50000
   59    54    55    37.50000  110.70000
   59    68    69    58.35000  112.70000
   59    68    72    70.00000  109.69300
   59    68    75    50.00000  109.50000
   61    59    60    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    61    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    77    58.35000  112.70000
   68    72    73    70.00000  117.00000
   68    72    74    70.00000  117.00000
   68    75    76    55.00000  108.50000
   69    77    78    37.50000  110.70000
   69    77    79    50.00000  109.50000
   71    69    70    33.00000  107.80000
   77    49    50    37.50000  110.70000
   77    49    54    58.35000  112.70000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    79    80    55.00000  108.50000
   79    77    78    35.00000  109.50000
   72    68    69    70.00000  109.69300
   74    72    73    80.00000  126.00000
   75    68    69    50.00000  109.50000
   75    68    72    95.00000  109.52300
   62    54    55    35.00000  109.50000
   62    54    59    50.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    58    64   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    58    64    65   0.08050  1.0 3.0
   51    58    64    66   0.08050  1.0 3.0
   51    58    64    67   0.08050  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    51    58    64   1.63200 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   52    48    51    56   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    77  -0.46850  1.0 1.0
   43    47    49    77   0.09300 -1.0 2.0
   43    47    49    77  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    59   0.62750  1.0 1.0
   47    49    54    59  -0.30950 -1.0 2.0
   47    49    54    59   0.27300  1.0 3.0
   47    49    54    62   3.69350  1.0 1.0
   47    49    54    62  -1.82950 -1.0 2.0
   47    49    77    69   0.62750  1.0 1.0
   47    49    77    69  -0.30950 -1.0 2.0
   47    49    77    69   0.27300  1.0 3.0
   47    49    77    78   0.23400  1.0 3.0
   47    49    77    79   3.69350  1.0 1.0
   47    49    77    79  -1.82950 -1.0 2.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    61   0.15000  1.0 3.0
   49    54    59    68   0.56750  1.0 1.0
   49    54    59    68  -0.07550 -1.0 2.0
   49    54    59    68   0.20000  1.0 3.0
   49    54    62    63  -0.11600  1.0 1.0
   49    54    62    63  -0.09450 -1.0 2.0
   49    54    62    63   0.21250  1.0 3.0
   49    77    79    80  -0.11600  1.0 1.0
   49    77    79    80  -0.09450 -1.0 2.0
   49    77    79    80   0.21250  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   50    49    54    62   0.23400  1.0 3.0
   50    49    77    69   0.15000  1.0 3.0
   50    49    77    78   0.15000  1.0 3.0
   50    49    77    79   0.23400  1.0 3.0
   54    49    77    69   0.56750  1.0 1.0
   54    49    77    69  -0.07550 -1.0 2.0
   54    49    77    69   0.20000  1.0 3.0
   54    49    77    78   0.15000  1.0 3.0
   54    49    77    79   0.86500  1.0 1.0
   54    49    77    79  -0.17500 -1.0 2.0
   54    49    77    79   0.20800  1.0 3.0
   54    59   -68    69   0.56750  1.0 1.0
   54    59   -68    69  -0.07550 -1.0 2.0
   54    59   -68    69   0.20000  1.0 3.0
   54    59    68    72  -1.63150  1.0 1.0
   54    59    68    72  -0.43550 -1.0 2.0
   54    59    68    72   0.24500  1.0 3.0
   54    59    68    75   0.86500  1.0 1.0
   54    59    68    75  -0.17500 -1.0 2.0
   54    59    68    75   0.20800  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    68   0.15000  1.0 3.0
   55    54    62    63   0.19450  1.0 3.0
   59    54    62    63  -0.11600  1.0 1.0
   59    54    62    63  -0.09450 -1.0 2.0
   59    54    62    63   0.21250  1.0 3.0
   59    68    69    70   0.15000  1.0 3.0
   59    68    69    71   0.15000  1.0 3.0
   59    68    69    77   0.56750  1.0 1.0
   59    68    69    77  -0.07550 -1.0 2.0
   59    68    69    77   0.20000  1.0 3.0
   59    68    72    73   0.41150 -1.0 2.0
   59    68    72    74   0.41150 -1.0 2.0
   59    68    75    76  -0.11600  1.0 1.0
   59    68    75    76  -0.09450 -1.0 2.0
   59    68    75    76   0.21250  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    72  -0.11250  1.0 3.0
   60    59    68    75   0.23400  1.0 3.0
   61    59    68    69   0.15000  1.0 3.0
   61    59    68    72  -0.11250  1.0 3.0
   61    59    68    75   0.23400  1.0 3.0
   68    69   -77    49   0.56750  1.0 1.0
   68    69   -77    49  -0.07550 -1.0 2.0
   68    69   -77    49   0.20000  1.0 3.0
   68    69    77    78   0.15000  1.0 3.0
   68    69    77    79   0.86500  1.0 1.0
   68    69    77    79  -0.17500 -1.0 2.0
   68    69    77    79   0.20800  1.0 3.0
   69    68    72    73   0.41150 -1.0 2.0
   69    68    72    74   0.41150 -1.0 2.0
   69    68    75    76  -0.11600  1.0 1.0
   69    68    75    76  -0.09450 -1.0 2.0
   69    68    75    76   0.21250  1.0 3.0
   69    77    79    80  -0.11600  1.0 1.0
   69    77    79    80  -0.09450 -1.0 2.0
   69    77    79    80   0.21250  1.0 3.0
   70    69    77    49   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.23400  1.0 3.0
   71    69    77    49   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.23400  1.0 3.0
   77    49    54    55   0.15000  1.0 3.0
   77    49   -54    59   0.56750  1.0 1.0
   77    49   -54    59  -0.07550 -1.0 2.0
   77    49   -54    59   0.20000  1.0 3.0
   77    49    54    62   0.86500  1.0 1.0
   77    49    54    62  -0.17500 -1.0 2.0
   77    49    54    62   0.20800  1.0 3.0
   78    77    79    80   0.19450  1.0 3.0
   72    68    69    70  -0.11250  1.0 3.0
   72    68    69    71  -0.11250  1.0 3.0
   72    68    69    77  -1.63150  1.0 1.0
   72    68    69    77  -0.43550 -1.0 2.0
   72    68    69    77   0.24500  1.0 3.0
   72    68    75    76   0.91850  1.0 1.0
   72    68    75    76   0.57950  1.0 3.0
   75    68    69    70   0.23400  1.0 3.0
   75    68    69    71   0.23400  1.0 3.0
   75    68    69    77   0.86500  1.0 1.0
   75    68    69    77  -0.17500 -1.0 2.0
   75    68    69    77   0.20800  1.0 3.0
   75    68    72    73   0.30150 -1.0 2.0
   75    68    72    74   0.30150 -1.0 2.0
   62    54    59    60   0.23400  1.0 3.0
   62    54    59    61   0.23400  1.0 3.0
   62    54    59    68   0.86500  1.0 1.0
   62    54    59    68  -0.17500 -1.0 2.0
   62    54    59    68   0.20800  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
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   56    58    51    48   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   73    68    72    74  10.50000 -1.0 2.0
END
