* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    159    258     475
    1     0 S   NP   _N1_     1    28.65514    94.03479   -21.93001
    2     1 S   H    _HN1     2     1.02965    90.73795    31.76760
    3     1 S   H    _H1_     3     1.02832    25.95929   161.75916
    4     1 S   H    _H2_     4     1.02775    95.10561   -76.71957
    5     1 S   CT   _CA1     5     1.50145   136.49692   152.99530
    6     5 S   HC   _HA1     6     1.09580   105.19537    63.16430
    7     5 S   CO3  _C1_     7     1.53777   112.42690   -56.90116
    8     7 S   O2Z  _O11     8     1.26351   114.99672   -42.31389
    9     7 S   O2Z  _O12     9     1.26247   114.91955   136.74728
   10     5 S   CT   _CB1    10     1.53090   107.38947  -179.02823
   11    10 S   HC   HB11    11     1.09821   109.19585   -51.41846
   12    10 S   HC   HB12    12     1.09819   110.44735    65.08886
   13    10 S   CT   _CG1    13     1.52990   112.73751  -172.60644
   14    13 S   HC   HG11    14     1.09610   110.33630   -65.33097
   15    13 S   HC   HG12    15     1.09653   110.04882    53.86754
   16    13 S   C    _CD1    16     1.51832   112.37776   174.07325
   17    16 S   O    _OE1    17     1.22716   123.29275    -4.92358
   18    16 S   N    _N2_    18     1.38592   111.56781   175.61622
   19    18 S   H    _HN2    19     1.01585   118.99666     0.63180
   20    18 S   CT1  _CA2    20     1.46261   123.51894  -179.50742
   21    20 S   HC   _HA2    21     1.09741   109.44790    -9.32671
   22    20 S   C    _C2_    22     1.53501   108.45456  -124.92983
   23    22 S   O    _O2_    23     1.23027   122.21091  -147.23647
   24    20 S   CT   _CB2    32     1.53703   111.25075   112.87087
   25    24 S   HC   HB21    33     1.09131   108.38641    53.28661
   26    24 S   HC   HB22    34     1.09324   109.58422   172.61236
   27    22 S   N    _N3_    24     1.38499   113.44813    40.28066
   28    27 S   H    _HN3    25     1.01519   118.87795    -0.87938
   29    24 S   S    _SG2    35     1.82387   110.83098   -67.62975
   30    27 S   CT   _CA3    26     1.45458   123.57249   175.10339
   31    30 S   HC   HA31    27     1.09515   109.37700    21.48721
   32    30 S   HC   HA32    28     1.09500   107.08080   138.51060
   33    29 S   CT   _C8_    36     1.89993   105.05629   176.18330
   34    30 S   CO3  _C3_    29     1.52921   113.04327  -102.09190
   35    34 S   O2Z  _O31    30     1.26411   115.38466   -44.77711
   36    34 S   O2Z  _O32    31     1.26353   115.00330   136.15310
   37    33 S   CM   _C13    37     1.55930   108.18376    52.40722
   38    33 S   CT   _C9_    71     1.60814   109.47973   169.82575
   39    38 S   OM   _O37    72     1.32702   111.53539    56.96681
   40    38 S   HC   _H4_    73     1.09807   105.20320  -176.66540
   41    37 S   CM   _C14    38     1.34738   120.45468   -97.11707
   42    41 S   HC   _H14    39     1.08399   122.00337  -177.19565
   43    37 S   CT   _C12    55     1.54651   119.20711    90.04470
   44    41 S   CO4  _C15    40     1.46837   123.23310     4.07477
   45    44 S   O    _O33    41     1.22517   121.07952   167.39025
   46    43 S   CT   _C16    56     1.56186   114.16367  -144.06909
   47    46 S   HC   _H15    57     1.09739   111.01251    50.25248
   48    46 S   HC   _H16    58     1.09681   110.46687   -68.06161
   49    43 S   CT   _C22    78     1.56124   106.77921    98.37687
   50    49 S   HC   _H22    79     1.09347   113.13449  -179.45464
   51    49 S   HC   _H23    80     1.09761   110.66707    61.83950
   52    49 S   HC   _H24    81     1.09092   113.61326   -57.54420
   53    44 S   OS   _O34    42     1.35059   116.12657   -10.78697
   54    46 S   CM   _C17    59     1.50777   111.98768   172.16636
   55    54 S   HC   _H17    60     1.08621   117.59443   154.09908
   56    33 S   CT   _C7_    43     1.57841   114.80270   -65.30800
   57    56 S   HC   _H3_    44     1.10217   105.91590  -178.32766
   58    54 S   CM   _C18    61     1.34246   122.91671   -23.54737
   59    58 S   HC   _H18    62     1.08743   118.77169   177.22420
   60    56 S   CT   _C5_    45     1.55935   122.00975   -58.96763
   61    60 S   HC   _H10    46     1.09280   109.86571   -55.25106
   62    58 S   CT   _C19    63     1.50602   123.08878    -6.21372
   63    60 S   CT   _C4_    47     1.53051   115.51092    67.51014
   64    63 S   HC   _H7_    48     1.09429   111.98153    48.73351
   65    63 S   HC   _H8_    49     1.09164   111.54670   -73.65349
   66    63 S   HC   _H9_    50     1.09622   110.75982   168.61924
   67    60 S   CT   _C6_    51     1.54212   109.50268  -170.61502
   68    67 S   HC   _H11    52     1.09513   111.79233   -66.30740
   69    67 S   HC   _H12    53     1.09567   110.63591   173.62588
   70    67 S   HC   _H13    54     1.09518   110.90303    54.60078
   71    62 S   CO4  _C20    64     1.51900   114.78261   116.00921
   72    71 S   O    _O35    65     1.22158   126.33370    38.74007
   73    62 S   CT   _C21    74     1.53907   108.50238  -123.33896
   74    73 S   HC   _H19    75     1.09526   112.47530  -175.48117
   75    73 S   HC   _H20    76     1.09620   111.21738    63.54171
   76    73 S   HC   _H21    77     1.09717   111.05865   -56.42038
   77    71 S   OS   _O36    66     1.37681   109.46877  -142.78406
   78    77 S   CT   _C10    67     1.44684   110.25563    -0.65432
   79    78 S   HC   _H5_    68     1.10069   106.07489   -91.72898
   80    43 S   CT   _C11    69     1.55743   108.75208   -26.86318
   81    80 S   HC   _H6_    70     1.09821   107.58673   -61.58641
  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  12   5   4   3
  21   2   1   1  24  15   6   5   9   4  20   5   2  14   6   5
   8   3   2   1   6   7   3  12   4  12   4   9   8  11   7   3
   2   1   3   2   1   1  10   4   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    56    57    60    43    78    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    44    53    56    57    60    61    63    67    43    46    77    78    79    80    38    39    40    49  
   35    36  
   36  
    0  
   41    42    44    45    53    56    57    60    43    46    47    48    54    62    78    80    81    38    39    40    49    50    51    52  
   39    40    41    43    53    56    57    60    62    71    77    78    79    80    81  
   40    56    77    78    79    80  
   56    77    78    79    80  
   42    44    45    53    56    43    46    80    49  
   44    45    53    43  
   46    47    48    54    55    58    62    71    77    78    79    80    81    73    49    50    51    52    44    56  
   45    53    56    57    60  
   53    56  
   47    48    54    55    58    59    62    78    80    81    49    50    51    52  
   48    54    55    58    80    49  
   54    55    58    80    49  
   50    51    52    54    62    78    80    81  
   51    52    80  
   52    80  
   80  
   56    57    60    61    63    67  
   55    58    59    62    71    80    73  
   58    59    62  
   57    60    61    63    64    65    66    67    68    69    70    78  
   60    61    63    67  
   59    62    71    72    77    78    80    81    73    74    75    76  
   62    71    80    73  
   61    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    70  
   71    72    77    78    79    80    81    73    74    75    76  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    77    78    79    80    81    73    74    75    76  
   77    78    80    73  
   74    75    76    77    78    80    81  
   75    76    80  
   76    80  
   80  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    41   549.000  1.340
   37    43   317.000  1.510
   41    42   340.000  1.080
   41    44   320.000  1.462
   44    45   570.000  1.229
   44    53   214.000  1.327
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   43    46   268.000  1.529
   43    80   268.000  1.529
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    62   317.000  1.510
   62    71   317.000  1.522
   62    80   268.000  1.529
   62    73   268.000  1.529
   71    72   570.000  1.229
   71    77   214.000  1.327
   77    78   320.000  1.410
   78    79   340.000  1.090
   78    80   268.000  1.529
   78    38   268.000  1.529
   80    81   340.000  1.090
   38    39   570.000  1.307
   38    40   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    56    53    50.00000  109.50000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   33    38    78    58.35000  112.70000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   37    41    42    35.00000  120.00000
   37    41    44    65.00000  118.96000
   37    43    46    70.00000  112.02700
   37    43    80    70.00000  112.02700
   37    43    49    70.00000  112.02700
   41    44    45    80.00000  123.72100
   41    44    53    90.00000  111.29400
   44    41    42    40.00000  117.72500
   44    53    56    83.00000  116.90000
   53    44    45    83.00000  123.40000
   53    56    57    35.00000  109.50000
   53    56    60    50.00000  109.50000
   56    33    37    70.00000  112.02700
   56    60    61    37.50000  110.70000
   56    60    63    58.35000  112.70000
   56    60    67    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   63    60    61    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   43    37    41    70.00000  124.00000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    54    70.00000  112.02700
   43    80    62    58.35000  112.70000
   43    80    78    58.35000  112.70000
   43    80    81    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   46    54    55    35.00000  117.00000
   46    54    58    70.00000  124.00000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    62    70.00000  124.00000
   58    54    55    35.00000  120.00000
   58    62    71    70.00000  109.06800
   58    62    80    70.00000  112.02700
   58    62    73    70.00000  112.02700
   62    58    59    35.00000  117.00000
   62    71    72    80.00000  120.40000
   62    71    77    81.00000  111.40000
   62    80    78    58.35000  112.70000
   62    80    81    37.50000  110.70000
   62    73    74    37.50000  110.70000
   62    73    75    37.50000  110.70000
   62    73    76    37.50000  110.70000
   71    77    78    83.00000  116.90000
   77    71    72    83.00000  123.40000
   77    78    79    35.00000  109.50000
   77    78    80    50.00000  109.50000
   77    78    38    50.00000  109.50000
   78    80    81    37.50000  110.70000
   78    38    39    50.00000  109.50000
   78    38    40    37.50000  110.70000
   80    43    46    58.35000  112.70000
   80    62    71    63.00000  111.10000
   80    78    79    37.50000  110.70000
   38    33    37    70.00000  112.02700
   38    33    56    58.35000  112.70000
   38    78    79    37.50000  110.70000
   38    78    80    58.35000  112.70000
   40    38    39    45.00000  125.66300
   73    62    71    63.00000  111.10000
   73    62    80    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   49    43    46    58.35000  112.70000
   49    43    80    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    56    53   0.56750  1.0 1.0
   29    33    56    53  -0.07550 -1.0 2.0
   29    33    56    53   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60   0.44750  1.0 1.0
   29    33    56    60  -0.17800 -1.0 2.0
   29    33    56    60   0.20200  1.0 3.0
   29    33    38    78   0.44750  1.0 1.0
   29    33    38    78  -0.17800 -1.0 2.0
   29    33    38    78   0.20200  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    37    43    46   0.46850  1.0 1.0
   33    37    43    46   0.08550 -1.0 2.0
   33    37    43    46   0.09800  1.0 3.0
   33    37    43    80   0.46850  1.0 1.0
   33    37    43    80   0.08550 -1.0 2.0
   33    37    43    80   0.09800  1.0 3.0
   33    37    43    49   0.46850  1.0 1.0
   33    37    43    49   0.08550 -1.0 2.0
   33    37    43    49   0.09800  1.0 3.0
   33    56    60    61   0.15000  1.0 3.0
   33    56    60    63   0.56750  1.0 1.0
   33    56    60    63  -0.07550 -1.0 2.0
   33    56    60    63   0.20000  1.0 3.0
   33    56    60    67   0.56750  1.0 1.0
   33    56    60    67  -0.07550 -1.0 2.0
   33    56    60    67   0.20000  1.0 3.0
   37    33    56    53   0.61850  1.0 1.0
   37    33    56    53  -0.22750 -1.0 2.0
   37    33    56    53   0.15300  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60   0.34400  1.0 1.0
   37    33    56    60   0.09450 -1.0 2.0
   37    33    56    60   0.11100  1.0 3.0
   37    33    38    78   0.34400  1.0 1.0
   37    33    38    78   0.09450 -1.0 2.0
   37    33    38    78   0.11100  1.0 3.0
   37    33    38    39   0.61850  1.0 1.0
   37    33    38    39  -0.22750 -1.0 2.0
   37    33    38    39   0.15300  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    44    45   1.00000 -1.0 2.0
   37    41   -44    53  -0.56150  1.0 1.0
   37    41   -44    53   2.19150 -1.0 2.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    48   0.15000  1.0 3.0
   37    43    46    54   0.31000  1.0 1.0
   37    43    46    54   0.14700 -1.0 2.0
   37    43    46    54   0.07550  1.0 3.0
   37    43    80    62   0.34400  1.0 1.0
   37    43    80    62   0.09450 -1.0 2.0
   37    43    80    62   0.11100  1.0 3.0
   37    43   -80    78   0.34400  1.0 1.0
   37    43   -80    78   0.09450 -1.0 2.0
   37    43   -80    78   0.11100  1.0 3.0
   37    43    80    81   0.15000  1.0 3.0
   37    43    49    50   0.15000  1.0 3.0
   37    43    49    51   0.15000  1.0 3.0
   37    43    49    52   0.15000  1.0 3.0
   41    37    43    46   0.09850  1.0 1.0
   41    37    43    46   0.15250 -1.0 2.0
   41    37    43    46  -0.50650  1.0 3.0
   41    37    43    80   0.09850  1.0 1.0
   41    37    43    80   0.15250 -1.0 2.0
   41    37    43    80  -0.50650  1.0 3.0
   41    37    43    49   0.09850  1.0 1.0
   41    37    43    49   0.15250 -1.0 2.0
   41    37    43    49  -0.50650  1.0 3.0
   41    44    53    56   2.00000 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    53   1.63100 -1.0 2.0
   44    53   -56    33  -0.25900  1.0 1.0
   44    53   -56    33  -0.47000 -1.0 2.0
   44    53   -56    33   0.11750  1.0 3.0
   44    53    56    57   0.08050  1.0 3.0
   44    53    56    60  -0.25900  1.0 1.0
   44    53    56    60  -0.47000 -1.0 2.0
   44    53    56    60   0.11750  1.0 3.0
   45    44    53    56   3.00000 -1.0 2.0
   53    56    60    61   0.23400  1.0 3.0
   53    56    60    63   0.62750  1.0 1.0
   53    56    60    63  -0.30950 -1.0 2.0
   53    56    60    63   0.27300  1.0 3.0
   53    56    60    67   0.62750  1.0 1.0
   53    56    60    67  -0.30950 -1.0 2.0
   53    56    60    67   0.27300  1.0 3.0
   56    33   -37    41   0.09850  1.0 1.0
   56    33   -37    41   0.15250 -1.0 2.0
   56    33   -37    41  -0.50650  1.0 3.0
   56    33    37    43   0.46850  1.0 1.0
   56    33    37    43   0.08550 -1.0 2.0
   56    33    37    43   0.09800  1.0 3.0
   56    33    38    78   0.56750  1.0 1.0
   56    33    38    78  -0.07550 -1.0 2.0
   56    33    38    78   0.20000  1.0 3.0
   56    33    38    39   0.62750  1.0 1.0
   56    33    38    39  -0.30950 -1.0 2.0
   56    33    38    39   0.27300  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    60    63    64   0.15000  1.0 3.0
   56    60    63    65   0.15000  1.0 3.0
   56    60    63    66   0.15000  1.0 3.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    70   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   57    56    60    67   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    44   7.00000 -1.0 2.0
   43    46    54    55   0.00000  1.0 1.0
   43    46    54    58   0.09850  1.0 1.0
   43    46    54    58   0.15250 -1.0 2.0
   43    46    54    58  -0.50650  1.0 3.0
   46    43    80    62   0.56750  1.0 1.0
   46    43    80    62  -0.07550 -1.0 2.0
   46    43    80    62   0.20000  1.0 3.0
   46    43    80    78   0.56750  1.0 1.0
   46    43    80    78  -0.07550 -1.0 2.0
   46    43    80    78   0.20000  1.0 3.0
   46    43    80    81   0.15000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    51   0.15000  1.0 3.0
   46    43    49    52   0.15000  1.0 3.0
   46    54    58    59   7.00000 -1.0 2.0
   46    54   -58    62   7.00000 -1.0 2.0
   47    46    54    55   0.33100  1.0 3.0
   47    46    54    58   0.00000  1.0 1.0
   48    46    54    55   0.33100  1.0 3.0
   48    46    54    58   0.00000  1.0 1.0
   54    58    62    71  -0.51250  1.0 1.0
   54    58    62    71  -0.88800 -1.0 2.0
   54    58    62    71   0.08850  1.0 3.0
   54    58    62    80   0.09850  1.0 1.0
   54    58    62    80   0.15250 -1.0 2.0
   54    58    62    80  -0.50650  1.0 3.0
   54    58    62    73   0.09850  1.0 1.0
   54    58    62    73   0.15250 -1.0 2.0
   54    58    62    73  -0.50650  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    62   7.00000 -1.0 2.0
   58    62    71    72   0.30150 -1.0 2.0
   58    62    71    77   0.40000  1.0 3.0
   58    62   -80    43   0.34400  1.0 1.0
   58    62   -80    43   0.09450 -1.0 2.0
   58    62   -80    43   0.11100  1.0 3.0
   58    62    80    78   0.34400  1.0 1.0
   58    62    80    78   0.09450 -1.0 2.0
   58    62    80    78   0.11100  1.0 3.0
   58    62    80    81   0.15000  1.0 3.0
   58    62    73    74   0.15000  1.0 3.0
   58    62    73    75   0.15000  1.0 3.0
   58    62    73    76   0.15000  1.0 3.0
   59    58    62    71   0.00000  1.0 1.0
   59    58    62    80   0.00000  1.0 1.0
   59    58    62    73   0.00000  1.0 1.0
   62    71   -77    78   1.63150  1.0 1.0
   62    71   -77    78   2.92000 -1.0 2.0
   71    62    80    43  -0.95700  1.0 1.0
   71    62    80    43  -0.18200 -1.0 2.0
   71    62    80    43   0.29450  1.0 3.0
   71    62   -80    78  -0.95700  1.0 1.0
   71    62   -80    78  -0.18200 -1.0 2.0
   71    62   -80    78   0.29450  1.0 3.0
   71    62    80    81  -0.11250  1.0 3.0
   71    62    73    74  -0.11250  1.0 3.0
   71    62    73    75  -0.11250  1.0 3.0
   71    62    73    76  -0.11250  1.0 3.0
   71    77    78    79   0.08050  1.0 3.0
   71    77   -78    80  -0.25900  1.0 1.0
   71    77   -78    80  -0.47000 -1.0 2.0
   71    77   -78    80   0.11750  1.0 3.0
   71    77    78    38  -0.25900  1.0 1.0
   71    77    78    38  -0.47000 -1.0 2.0
   71    77    78    38   0.11750  1.0 3.0
   72    71    77    78   3.00000 -1.0 2.0
   77    78    80    43   0.62750  1.0 1.0
   77    78    80    43  -0.30950 -1.0 2.0
   77    78    80    43   0.27300  1.0 3.0
   77    78   -80    62   0.62750  1.0 1.0
   77    78   -80    62  -0.30950 -1.0 2.0
   77    78   -80    62   0.27300  1.0 3.0
   77    78    80    81   0.23400  1.0 3.0
   77    78    38    33   0.62750  1.0 1.0
   77    78    38    33  -0.30950 -1.0 2.0
   77    78    38    33   0.27300  1.0 3.0
   77    78    38    39   1.11900  1.0 1.0
   77    78    38    39  -1.16350 -1.0 2.0
   77    78    38    39  -0.34150  1.0 3.0
   77    78    38    40   0.23400  1.0 3.0
   79    78    80    43   0.15000  1.0 3.0
   79    78    80    62   0.15000  1.0 3.0
   79    78    80    81   0.15000  1.0 3.0
   79    78    38    33   0.15000  1.0 3.0
   79    78    38    39   0.23400  1.0 3.0
   79    78    38    40   0.15000  1.0 3.0
   80    43    46    47   0.15000  1.0 3.0
   80    43    46    48   0.15000  1.0 3.0
   80    43   -46    54   0.34400  1.0 1.0
   80    43   -46    54   0.09450 -1.0 2.0
   80    43   -46    54   0.11100  1.0 3.0
   80    43    49    50   0.15000  1.0 3.0
   80    43    49    51   0.15000  1.0 3.0
   80    43    49    52   0.15000  1.0 3.0
   80    62    71    72   0.30150 -1.0 2.0
   80    62   -71    77   0.36750  1.0 3.0
   80    62    73    74   0.15000  1.0 3.0
   80    62    73    75   0.15000  1.0 3.0
   80    62    73    76   0.15000  1.0 3.0
   80    78   -38    33   0.56750  1.0 1.0
   80    78   -38    33  -0.07550 -1.0 2.0
   80    78   -38    33   0.20000  1.0 3.0
   80    78    38    39   0.62750  1.0 1.0
   80    78    38    39  -0.30950 -1.0 2.0
   80    78    38    39   0.27300  1.0 3.0
   80    78    38    40   0.15000  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    56    53   0.62750  1.0 1.0
   38    33    56    53  -0.30950 -1.0 2.0
   38    33    56    53   0.27300  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    60   0.56750  1.0 1.0
   38    33    56    60  -0.07550 -1.0 2.0
   38    33    56    60   0.20000  1.0 3.0
   38    78   -80    43   0.56750  1.0 1.0
   38    78   -80    43  -0.07550 -1.0 2.0
   38    78   -80    43   0.20000  1.0 3.0
   38    78    80    62   0.56750  1.0 1.0
   38    78    80    62  -0.07550 -1.0 2.0
   38    78    80    62   0.20000  1.0 3.0
   38    78    80    81   0.15000  1.0 3.0
   73    62    71    72   0.30150 -1.0 2.0
   73    62    71    77   0.36750  1.0 3.0
   73    62    80    43   0.56750  1.0 1.0
   73    62    80    43  -0.07550 -1.0 2.0
   73    62    80    43   0.20000  1.0 3.0
   73    62    80    78   0.56750  1.0 1.0
   73    62    80    78  -0.07550 -1.0 2.0
   73    62    80    78   0.20000  1.0 3.0
   73    62    80    81   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43    46    54   0.34400  1.0 1.0
   49    43    46    54   0.09450 -1.0 2.0
   49    43    46    54   0.11100  1.0 3.0
   49    43    80    62   0.56750  1.0 1.0
   49    43    80    62  -0.07550 -1.0 2.0
   49    43    80    62   0.20000  1.0 3.0
   49    43    80    78   0.56750  1.0 1.0
   49    43    80    78  -0.07550 -1.0 2.0
   49    43    80    78   0.20000  1.0 3.0
   49    43    80    81   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    53    44    45  10.50000 -1.0 2.0
   46    55    54    58   1.10000 -1.0 2.0
   62    59    58    54   1.10000 -1.0 2.0
   62    77    71    72  10.50000 -1.0 2.0
END
