* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    239     457
    1     0 S   NP   _N1_     1    29.28428    94.81054   -24.75439
    2     1 S   H    _HN1     2     1.02827    28.55259  -175.95315
    3     1 S   H    _H1_     3     1.02780   114.05544   -92.61812
    4     1 S   H    _H2_     4     1.02959    78.82267    12.65147
    5     1 S   CT   _CA1     5     1.50127   126.40456   119.83395
    6     5 S   HC   _HA1     6     1.09575   105.19992    86.52685
    7     5 S   CO3  _C1_     7     1.53786   112.45929   -33.65914
    8     7 S   O2Z  _O11     8     1.26365   115.00254   -42.01195
    9     7 S   O2Z  _O12     9     1.26238   114.95390   137.13562
   10     5 S   CT   _CB1    10     1.53093   107.41002  -155.53545
   11    10 S   HC   HB11    11     1.09831   109.31190   -50.26668
   12    10 S   HC   HB12    12     1.09815   110.44503    66.30859
   13    10 S   CT   _CG1    13     1.52993   112.65634  -171.31126
   14    13 S   HC   HG11    14     1.09588   110.54272   -65.64597
   15    13 S   HC   HG12    15     1.09669   109.86479    53.58529
   16    13 S   C    _CD1    16     1.51804   112.31204   173.94832
   17    16 S   O    _OE1    17     1.22731   123.31126     3.34703
   18    16 S   N    _N2_    18     1.38656   111.63085  -176.60667
   19    18 S   H    _HN2    19     1.01593   118.96430     1.30716
   20    18 S   CT1  _CA2    20     1.46087   123.38732   177.69285
   21    20 S   HC   _HA2    21     1.09603   109.32509    -0.82282
   22    20 S   C    _C2_    22     1.53523   108.85476  -115.90745
   23    22 S   O    _O2_    23     1.23060   122.20540  -149.84581
   24    20 S   CT   _CB2    32     1.53292   111.64944   121.62991
   25    24 S   HC   HB21    33     1.09646   109.77505    60.42006
   26    24 S   HC   HB22    34     1.09577   110.92702   177.89587
   27    22 S   N    _N3_    24     1.38313   113.72081    37.69951
   28    27 S   H    _HN3    25     1.01599   119.55753    -3.51274
   29    24 S   S    _SG2    35     1.82911   114.50402   -59.66795
   30    27 S   CT   _CA3    26     1.45288   123.19098   176.98604
   31    30 S   HC   HA31    27     1.09550   107.52192   -64.35111
   32    30 S   HC   HA32    28     1.09558   107.96740    52.07877
   33    29 S   CT   _C21    36     1.82839    99.66063   -64.12286
   34    33 S   HC   _H18    37     1.09184   107.75271   -44.19838
   35    33 S   HC   _H19    38     1.09297   107.13543    73.34153
   36    30 S   CO3  _C3_    29     1.52954   114.09464   174.08669
   37    36 S   O2Z  _O31    30     1.26375   116.06094    -0.04846
   38    36 S   O2Z  _O32    31     1.26431   114.41436  -179.98022
   39    33 S   CT   _C19    39     1.52643   111.48910  -166.46823
   40    39 S   HC   _H6_    40     1.09987   109.82478   -40.48649
   41    39 S   CO4  _C20    41     1.50545   114.80143    78.69052
   42    41 S   O    _O37    42     1.22080   126.57348   -32.12440
   43    41 S   OS   _O38    43     1.36386   109.47092   151.26576
   44    43 S   CT   _C17    44     1.43840   111.12275   -12.24403
   45    44 S   HC   _H4_    45     1.09329   104.34522  -125.31657
   46    44 S   CM   _C16    46     1.51456   110.08964   119.45438
   47    46 S   HC   _H17    47     1.08782   116.63793   -11.22819
   48    39 S   CT   _C18    60     1.53843   115.62622  -162.13427
   49    48 S   HC   _H5_    61     1.09441   105.00616    89.98507
   50    46 S   CM   _C15    48     1.35644   124.60587   165.49332
   51    50 S   CM   _C14    49     1.45244   119.64195     3.40375
   52    50 S   CT   _C22    81     1.52848   122.16832  -173.95937
   53    52 S   OM   _O39    82     1.32432   107.12279  -103.54104
   54    52 S   HC   _H20    83     1.10249   105.90258   128.78245
   55    52 S   HC   _H21    84     1.10295   106.19876    23.28229
   56    51 S   CM   _C13    50     1.32999   128.18515  -111.09603
   57    56 S   HC   _H16    51     1.07320   131.16910    -4.76929
   58    56 S   CO4  _C12    52     1.46544   100.47596   164.79709
   59    58 S   O    _O35    53     1.22093   123.48558   173.62871
   60    58 S   CT   _C11    54     1.51538   110.23817   -10.14821
   61    60 S   CT   _C10    55     1.54564   110.73271   -93.46687
   62    61 S   HC   _H14    56     1.09878   109.60605    23.03545
   63    61 S   HC   _H15    57     1.09926   108.39700   -87.78941
   64    51 S   OS   _O36    76     1.38863   114.47484    62.03412
   65    60 S   CT   _C23    77     1.51790   112.97963   138.15241
   66    65 S   HC   _H22    78     1.09540   110.81962  -171.20435
   67    65 S   HC   _H23    79     1.09476   111.57871    67.49361
   68    65 S   HC   _H24    80     1.09617   110.97581   -52.82302
   69    61 S   CT   _C9_    58     1.55793   118.97361   147.63657
   70    69 S   HC   _H3_    59     1.09703   108.22038    69.89990
   71    69 S   OS   _O34    62     1.45240   106.35635  -172.48138
   72    71 S   CO4  _C8_    63     1.35943   117.77595   -83.82449
   73    72 S   O    _O33    64     1.22113   126.71292    -3.04363
   74    72 S   CM   _C6_    65     1.48539   108.74187   177.13618
   75    74 S   CM   _C5_    66     1.34502   120.39733  -136.60379
   76    75 S   HC   _H10    67     1.08931   117.79986  -177.77314
   77    74 S   CT   _C7_    72     1.50030   117.30379    45.36858
   78    77 S   HC   _H11    73     1.09462   110.72976   -68.63408
   79    77 S   HC   _H12    74     1.09469   110.49159    51.83795
   80    77 S   HC   _H13    75     1.09528   111.95333   171.38954
   81    75 S   CT   _C4_    68     1.49587   128.29689     3.98782
   82    81 S   HC   _H7_    69     1.09400   109.99914  -108.30007
   83    81 S   HC   _H8_    70     1.09509   109.32596   133.18336
   84    81 S   HC   _H9_    71     1.09246   113.49905    13.91161
  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
  11   5   4   2   1   1  13   7   8   3   8  12   6  12   4  10
   4  10  12   5   2   1   1   7   4  11   4  11  11   6   5   5
   4   2   1   1   5   2   5   9   3  10   9   5   4   2   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    61    69    70    48    49    71  
   41    42    43    44    69    48    49  
   42    43    44    45    46    69    48    49  
   43    44    48  
   44    45    46    47    50    69    48    49  
   45    46    47    50    51    61    69    70    48    49    71    52  
   46    47    50    69    48    49  
   47    50    51    56    69    48    49    64    52    53    54    55  
   50    51    48    52  
   49    71    72    50    60    61    62    63    69    70  
   71    61    69    70  
   51    56    57    58    60    64    52    53    54    55  
   56    57    58    59    60    61    64    65    52    53    54    55  
   53    54    55    56    64  
   54    55  
   55  
    0  
   57    58    59    60    61    64    65  
   58    59    60    64  
   59    60    61    62    63    69    64    65    66    67    68  
   60    61    64    65  
   61    62    63    69    70    71    64    65    66    67    68  
   62    63    69    70    71    72    64    65    66    67    68  
   63    69    70    71    64    65  
   69    70    71    64    65  
   65    66    67    68    69  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72  
   72    73    74    75    77  
   73    74    75    76    81    77    78    79    80  
   74    75    77  
   75    76    81    82    83    84    77    78    79    80  
   76    81    82    83    84    77    78    79    80  
   81    82    83    84    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   52   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   380.000  1.444
   50    52   317.000  1.510
   51    56   549.000  1.340
   51    64   440.000  1.360
   56    57   340.000  1.080
   56    58   320.000  1.462
   58    59   570.000  1.229
   58    60   317.000  1.522
   60    61   268.000  1.529
   60    64   320.000  1.410
   60    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    48   268.000  1.529
   69    71   320.000  1.410
   48    49   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    77   317.000  1.510
   75    76   340.000  1.080
   75    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   570.000  1.307
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    69    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    69    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  123.01800
   46    50    52    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    56    70.00000  123.01800
   50    51    64    80.00000  120.01400
   50    52    53    85.00000  110.90400
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    58    65.00000  118.96000
   51    64    60    90.00000  111.18400
   56    58    59    80.00000  123.72100
   56    58    60    65.00000  118.62400
   58    56    57    40.00000  117.72500
   58    60    61    63.00000  111.10000
   58    60    64    90.00000  108.74100
   58    60    65    63.00000  111.10000
   60    58    59    80.00000  120.40000
   60    61    62    37.50000  110.70000
   60    61    63    37.50000  110.70000
   60    61    69    58.35000  112.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    48    58.35000  112.70000
   61    69    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    48    49    37.50000  110.70000
   69    71    72    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    69    70    37.50000  110.70000
   71    69    70    35.00000  109.50000
   71    69    48    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    77    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    81    70.00000  124.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   81    75    76    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    74    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   64    51    56    80.00000  120.01400
   64    60    61    50.00000  109.50000
   65    60    61    58.35000  112.70000
   65    60    64    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    50    51    70.00000  124.00000
   54    52    53    45.00000  125.66300
   55    52    53    45.00000  125.66300
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    69   0.56750  1.0 1.0
   33    39    48    69  -0.07550 -1.0 2.0
   33    39    48    69   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    69   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    69  -0.95700  1.0 1.0
   41    39    48    69  -0.18200 -1.0 2.0
   41    39    48    69   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    69   0.62750  1.0 1.0
   43    44    48    69  -0.30950 -1.0 2.0
   43    44    48    69   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    52   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    69   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    69   0.34400  1.0 1.0
   46    44    48    69   0.09450 -1.0 2.0
   46    44    48    69   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    56   0.28850  1.0 1.0
   46    50    51    56   2.61350 -1.0 2.0
   46    50    51    56   0.78400  1.0 3.0
   46    50    51    64  -0.51250  1.0 1.0
   46    50    51    64   1.23350 -1.0 2.0
   46    50    52    53   0.39000  1.0 1.0
   46    50    52    53  -0.05800 -1.0 2.0
   46    50    52    53  -0.55150  1.0 3.0
   46    50    52    54   0.00000  1.0 1.0
   46    50    52    55   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    52   7.00000 -1.0 2.0
   50    51    56    57   7.00000 -1.0 2.0
   50    51    56    58   7.00000 -1.0 2.0
   50    51    64    60  -2.26850  1.0 1.0
   50    51    64    60   3.39050 -1.0 2.0
   51    50    52    53   0.39000  1.0 1.0
   51    50    52    53  -0.05800 -1.0 2.0
   51    50    52    53  -0.55150  1.0 3.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   51    56    58    59   1.00000 -1.0 2.0
   51    56   -58    60  -0.33500  1.0 1.0
   51    56   -58    60   1.06600 -1.0 2.0
   51    56   -58    60  -0.14000  1.0 3.0
   56    51   -64    60  -2.26850  1.0 1.0
   56    51   -64    60   3.39050 -1.0 2.0
   56    58    60    61   0.65300  1.0 1.0
   56    58    60    61  -0.03850 -1.0 2.0
   56    58    60    61   0.33900  1.0 3.0
   56    58   -60    64   0.65300  1.0 1.0
   56    58   -60    64  -0.03850 -1.0 2.0
   56    58   -60    64   0.33900  1.0 3.0
   56    58    60    65   0.65300  1.0 1.0
   56    58    60    65  -0.03850 -1.0 2.0
   56    58    60    65   0.33900  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.04550  1.0 1.0
   57    56    58    60   0.83000 -1.0 2.0
   57    56    58    60  -0.04000  1.0 3.0
   58    60    61    62  -0.11250  1.0 3.0
   58    60    61    63  -0.11250  1.0 3.0
   58    60    61    69  -0.95700  1.0 1.0
   58    60    61    69  -0.18200 -1.0 2.0
   58    60    61    69   0.29450  1.0 3.0
   58    60   -64    51  -0.48150  1.0 1.0
   58    60   -64    51   0.09250 -1.0 2.0
   58    60   -64    51  -0.12850  1.0 3.0
   58    60    65    66  -0.11250  1.0 3.0
   58    60    65    67  -0.11250  1.0 3.0
   58    60    65    68  -0.11250  1.0 3.0
   59    58    60    61   0.30150 -1.0 2.0
   59    58    60    64   0.30150 -1.0 2.0
   59    58    60    65   0.30150 -1.0 2.0
   60    61    69    70   0.15000  1.0 3.0
   60    61    69    48   0.56750  1.0 1.0
   60    61    69    48  -0.07550 -1.0 2.0
   60    61    69    48   0.20000  1.0 3.0
   60    61    69    71   0.62750  1.0 1.0
   60    61    69    71  -0.30950 -1.0 2.0
   60    61    69    71   0.27300  1.0 3.0
   61    60    64    51  -0.46850  1.0 1.0
   61    60    64    51   0.09300 -1.0 2.0
   61    60    64    51  -0.12850  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68   0.15000  1.0 3.0
   61    69    48    39   0.56750  1.0 1.0
   61    69    48    39  -0.07550 -1.0 2.0
   61    69    48    39   0.20000  1.0 3.0
   61    69    48    44   0.56750  1.0 1.0
   61    69    48    44  -0.07550 -1.0 2.0
   61    69    48    44   0.20000  1.0 3.0
   61    69    48    49   0.15000  1.0 3.0
   61    69    71    72  -0.25900  1.0 1.0
   61    69    71    72  -0.47000 -1.0 2.0
   61    69    71    72   0.11750  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    48   0.15000  1.0 3.0
   62    61    69    71   0.23400  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    48   0.15000  1.0 3.0
   63    61    69    71   0.23400  1.0 3.0
   69    71    72    73   3.00000 -1.0 2.0
   69    71    72    74   2.00000 -1.0 2.0
   70    69    48    39   0.15000  1.0 3.0
   70    69    48    44   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   70    69    71    72   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    69    71    72  -0.25900  1.0 1.0
   48    69    71    72  -0.47000 -1.0 2.0
   48    69    71    72   0.11750  1.0 3.0
   71    69    48    39   0.62750  1.0 1.0
   71    69    48    39  -0.30950 -1.0 2.0
   71    69    48    39   0.27300  1.0 3.0
   71    69    48    44   0.62750  1.0 1.0
   71    69    48    44  -0.30950 -1.0 2.0
   71    69    48    44   0.27300  1.0 3.0
   71    69    48    49   0.23400  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    77  -0.15000  1.0 1.0
   71    72    74    77   0.89550 -1.0 2.0
   71    72    74    77  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    81   7.00000 -1.0 2.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    80   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    77  -0.64400  1.0 1.0
   73    72    74    77   0.26850 -1.0 2.0
   74    75    81    82   0.00000  1.0 1.0
   74    75    81    83   0.00000  1.0 1.0
   74    75    81    84   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    80   0.00000  1.0 1.0
   76    75    81    82   0.33100  1.0 3.0
   76    75    81    83   0.33100  1.0 3.0
   76    75    81    84   0.33100  1.0 3.0
   77    74    75    76   7.00000 -1.0 2.0
   77    74    75    81   7.00000 -1.0 2.0
   64    51    56    57   7.00000 -1.0 2.0
   64    51   -56    58   7.00000 -1.0 2.0
   64    60    61    62   0.23400  1.0 3.0
   64    60    61    63   0.23400  1.0 3.0
   64    60    61    69   0.62750  1.0 1.0
   64    60    61    69  -0.30950 -1.0 2.0
   64    60    61    69   0.27300  1.0 3.0
   64    60    65    66   0.23400  1.0 3.0
   64    60    65    67   0.23400  1.0 3.0
   64    60    65    68   0.23400  1.0 3.0
   65    60    61    62   0.15000  1.0 3.0
   65    60    61    63   0.15000  1.0 3.0
   65    60    61    69   0.56750  1.0 1.0
   65    60    61    69  -0.07550 -1.0 2.0
   65    60    61    69   0.20000  1.0 3.0
   65    60    64    51  -0.46850  1.0 1.0
   65    60    64    51   0.09300 -1.0 2.0
   65    60    64    51  -0.12850  1.0 3.0
   52    50    51    56  -0.18600  1.0 3.0
   52    50    51    64   1.08500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    52    50    46   1.10000 -1.0 2.0
   50    64    51    56   1.10000 -1.0 2.0
   58    57    56    51   1.10000 -1.0 2.0
   56    60    58    59  10.50000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    77    74    75  15.00000 -1.0 2.0
   81    76    75    74  15.00000 -1.0 2.0
END
