* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    153    242     456
    1     0 S   NP   _N1_     1    28.84084    96.32954   -24.80263
    2     1 S   H    _HN1     2     1.02793   114.26682   -95.58083
    3     1 S   H    _H1_     3     1.02948    71.82251     6.88191
    4     1 S   H    _H2_     4     1.02827    35.73761   177.27344
    5     1 S   CT   _CA1     5     1.50119   129.68508   108.69523
    6     5 S   HC   _HA1     6     1.09574   105.17194    94.83314
    7     5 S   CO3  _C1_     7     1.53769   112.45428   -25.38171
    8     7 S   O2Z  _O11     8     1.26373   115.00907   -42.97196
    9     7 S   O2Z  _O12     9     1.26235   114.93536   136.06783
   10     5 S   CT   _CB1    10     1.53063   107.40883  -147.20889
   11    10 S   HC   HB11    11     1.09839   109.32540   -49.58039
   12    10 S   HC   HB12    12     1.09811   110.47646    67.00869
   13    10 S   CT   _CG1    13     1.53017   112.64018  -170.52966
   14    13 S   HC   HG11    14     1.09573   110.70807   -67.01792
   15    13 S   HC   HG12    15     1.09670   109.72192    52.23354
   16    13 S   C    _CD1    16     1.51810   112.03742   172.69346
   17    16 S   O    _OE1    17     1.22753   123.20144    10.98630
   18    16 S   N    _N2_    18     1.38650   111.80855  -169.04564
   19    18 S   H    _HN2    19     1.01579   118.98581     1.12222
   20    18 S   CT1  _CA2    20     1.46212   123.35108   176.66035
   21    20 S   HC   _HA2    21     1.09740   109.28621     6.22680
   22    20 S   C    _C2_    22     1.53640   108.82005  -109.25914
   23    22 S   O    _O2_    23     1.23077   122.23651  -148.79088
   24    20 S   CT   _CB2    32     1.53322   111.66130   128.19459
   25    24 S   HC   HB21    33     1.09530   110.02843    56.97117
   26    24 S   HC   HB22    34     1.09521   110.08061   176.00232
   27    22 S   N    _N3_    24     1.38314   113.83280    38.70555
   28    27 S   H    _HN3    25     1.01555   119.60748    -3.24793
   29    24 S   S    _SG2    35     1.82724   111.49356   -64.25405
   30    27 S   CT   _CA3    26     1.45287   123.28414   177.17673
   31    30 S   HC   HA31    27     1.09547   107.50741   -64.86532
   32    30 S   HC   HA32    28     1.09555   108.00178    51.59449
   33    29 S   CT   _C15    36     1.83688    99.54743  -176.09711
   34    33 S   HC   _H9_    37     1.09549   108.82043    43.43490
   35    30 S   CO3  _C3_    29     1.52977   114.03526   173.59338
   36    35 S   O2Z  _O31    30     1.26384   116.06676    -0.61707
   37    35 S   O2Z  _O32    31     1.26423   114.42242   179.44645
   38    33 S   CM   _C16    38     1.49089   108.43636   -77.36298
   39    38 S   HC   _H18    39     1.08329   122.68435    71.93907
   40    38 S   CMA  _C17    40     1.34265   114.07771  -105.50874
   41    40 S   OM   _O35    41     1.25828   132.23893   176.11526
   42    40 S   CT   _C13    42     1.56141   110.39367    -2.24079
   43    33 S   CT   _C14    43     1.55914   117.96649   168.06709
   44    43 S   HC   _H8_    44     1.10264   104.07548  -157.66660
   45    42 S   CT   _C12    63     1.58444   111.61472  -134.51847
   46    45 S   HC   _H7_    64     1.09833   108.43397    25.68941
   47    42 S   CT   _C18    76     1.55405   107.78627   102.11881
   48    47 S   HC   _H19    77     1.09116   112.46070  -176.86188
   49    47 S   HC   _H20    78     1.09644   111.89368    62.65782
   50    47 S   HC   _H21    79     1.09295   112.40918   -56.15895
   51    43 S   CT   _C5_    45     1.55573   116.26469   -41.56532
   52    51 S   HC   _H3_    46     1.09610   109.22295    71.25113
   53    45 S   OS   _O36    65     1.45457   108.12136   -92.65832
   54    51 S   CT   _C6_    47     1.54330   115.37151  -167.56554
   55    54 S   HC   _H13    48     1.10066   108.99062    79.88664
   56    54 S   HC   _H14    49     1.09990   108.12374  -167.94118
   57    53 S   CO4  _C19    66     1.36281   119.21079   123.75433
   58    57 S   O    _O37    67     1.22285   126.94845     4.79305
   59    51 S   CT   _C4_    72     1.54518   111.71166   -47.27242
   60    59 S   HC   _H10    73     1.09585   110.91666   -56.30996
   61    59 S   HC   _H11    74     1.09620   110.70364  -175.95097
   62    59 S   HC   _H12    75     1.09046   113.11698    64.80970
   63    54 S   CT   _C7_    50     1.52383   119.44575   -44.31070
   64    63 S   HC   _H4_    51     1.09236   112.11962   -63.62457
   65    57 S   CT   _C20    68     1.49861   109.18835  -176.28659
   66    65 S   HC   _H22    69     1.09281   109.78617   -63.66480
   67    65 S   HC   _H23    70     1.09376   109.37319   177.09269
   68    65 S   HC   _H24    71     1.09306   109.84536    58.22865
   69    63 S   CT   _C8_    52     1.51728   112.72881    66.17475
   70    69 S   HC   _H5_    53     1.09963   108.28543    29.88455
   71    69 S   CT   _C9_    54     1.53229   102.77599   143.27540
   72    71 S   HC   _H6_    55     1.09432   112.66466    84.10910
   73    71 S   CO4  _C10    56     1.50248   102.33032   -29.42869
   74    73 S   O    _O33    57     1.22110   126.15024  -161.16090
   75    71 S   CT   _C11    59     1.52021   112.93114  -149.89435
   76    75 S   HC   _H15    60     1.09574   111.46562    60.74713
   77    75 S   HC   _H16    61     1.09359   111.32331   -60.18132
   78    75 S   HC   _H17    62     1.09541   110.57184   179.80617
   79    63 S   OS   _O34    58     1.44504   105.99183  -179.52522
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  20   7   6   2
   1   1  12   8  10  13   6   5   6   4   4   2   1   1   9   5
   3   2   1   1  10   5   8   7   6   2   4   2   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    59    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    69    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    63    69    70    71    45    46    53    57    59    47    48    49    50  
   44    51    52    54    55    56    63    69    45    46    53    59    60    61    62    47    48    49    50  
   51    52    54    45    59    47  
   46    53    57    58    65    47    48    49    50    51    54    63    64    69    70    71    72    73    75    79  
   53    57    47    63    69    70    71  
   48    49    50    51    53    69  
   49    50  
   50  
    0  
   52    54    55    56    63    64    69    79    59    60    61    62  
   54    55    56    63    59    60    61    62  
   57    58    65    66    67    68    63    69    70    71  
   55    56    63    64    69    70    71    73    79    59    60    61    62  
   56    63    64    69    79    59  
   63    64    69    79    59  
   58    65    66    67    68    69  
   65    66    67    68  
   60    61    62    63  
   61    62  
   62  
    0  
   64    69    70    71    72    73    74    79    75  
   69    70    71    73    79  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    79    75    76    77    78  
   71    72    73    79    75  
   72    73    74    79    75    76    77    78  
   73    74    79    75    76    77    78  
   74    79    75    76    77    78  
   79    75  
   76    77    78    79  
   77    78  
   78  
    0  
    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   0.107500   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    59   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    79   320.000  1.410
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    45   268.000  1.529
   71    72   340.000  1.090
   71    73   317.000  1.522
   71    75   268.000  1.529
   73    74   570.000  1.229
   73    79   214.000  1.327
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    57   214.000  1.327
   57    58   570.000  1.229
   57    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    69    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    59    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    63    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    69    58.35000  112.70000
   54    63    79    50.00000  109.50000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    58.35000  112.70000
   63    69    45    58.35000  112.70000
   63    79    73    83.00000  116.90000
   69    63    64    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    63.00000  111.10000
   69    71    75    58.35000  112.70000
   69    45    46    37.50000  110.70000
   69    45    53    50.00000  109.50000
   71    69    70    37.50000  110.70000
   71    73    74    80.00000  120.40000
   71    73    79    81.00000  111.40000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   73    71    72    35.00000  109.50000
   79    63    64    35.00000  109.50000
   79    63    69    50.00000  109.50000
   79    73    74    83.00000  123.40000
   75    71    72    37.50000  110.70000
   75    71    73    63.00000  111.10000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   45    42    43    58.35000  112.70000
   45    69    70    37.50000  110.70000
   45    69    71    58.35000  112.70000
   45    53    57    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    57    58    83.00000  123.40000
   53    57    65    81.00000  111.40000
   57    65    66    35.00000  109.50000
   57    65    67    35.00000  109.50000
   57    65    68    35.00000  109.50000
   65    57    58    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    54    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    59   0.56750  1.0 1.0
   33    43    51    59  -0.07550 -1.0 2.0
   33    43    51    59   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    69   0.34400  1.0 1.0
   40    42    45    69   0.09450 -1.0 2.0
   40    42    45    69   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    59   0.56750  1.0 1.0
   42    43    51    59  -0.07550 -1.0 2.0
   42    43    51    59   0.20000  1.0 3.0
   42    45    53    57  -0.25900  1.0 1.0
   42    45    53    57  -0.47000 -1.0 2.0
   42    45    53    57   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    69   0.56750  1.0 1.0
   43    42    45    69  -0.07550 -1.0 2.0
   43    42    45    69   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    56   0.15000  1.0 3.0
   43    51    54    63   0.56750  1.0 1.0
   43    51    54    63  -0.07550 -1.0 2.0
   43    51    54    63   0.20000  1.0 3.0
   43    51    59    60   0.15000  1.0 3.0
   43    51    59    61   0.15000  1.0 3.0
   43    51    59    62   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    59   0.15000  1.0 3.0
   51    54    63    64   0.15000  1.0 3.0
   51    54    63    69   0.56750  1.0 1.0
   51    54    63    69  -0.07550 -1.0 2.0
   51    54    63    69   0.20000  1.0 3.0
   51    54    63    79   0.62750  1.0 1.0
   51    54    63    79  -0.30950 -1.0 2.0
   51    54    63    79   0.27300  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    63   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   54    51    59    60   0.15000  1.0 3.0
   54    51    59    61   0.15000  1.0 3.0
   54    51    59    62   0.15000  1.0 3.0
   54    63    69    70   0.15000  1.0 3.0
   54    63    69    71   0.56750  1.0 1.0
   54    63    69    71  -0.07550 -1.0 2.0
   54    63    69    71   0.20000  1.0 3.0
   54    63    69    45   0.56750  1.0 1.0
   54    63    69    45  -0.07550 -1.0 2.0
   54    63    69    45   0.20000  1.0 3.0
   54    63    79    73  -0.25900  1.0 1.0
   54    63    79    73  -0.47000 -1.0 2.0
   54    63    79    73   0.11750  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    69   0.15000  1.0 3.0
   55    54    63    79   0.23400  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    69   0.15000  1.0 3.0
   56    54    63    79   0.23400  1.0 3.0
   63    69    71    72   0.15000  1.0 3.0
   63    69   -71    73  -0.95700  1.0 1.0
   63    69   -71    73  -0.18200 -1.0 2.0
   63    69   -71    73   0.29450  1.0 3.0
   63    69    71    75   0.56750  1.0 1.0
   63    69    71    75  -0.07550 -1.0 2.0
   63    69    71    75   0.20000  1.0 3.0
   63    69    45    42   0.56750  1.0 1.0
   63    69    45    42  -0.07550 -1.0 2.0
   63    69    45    42   0.20000  1.0 3.0
   63    69    45    46   0.15000  1.0 3.0
   63    69    45    53   0.62750  1.0 1.0
   63    69    45    53  -0.30950 -1.0 2.0
   63    69    45    53   0.27300  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    45   0.15000  1.0 3.0
   64    63    79    73   0.08050  1.0 3.0
   69    63   -79    73  -0.25900  1.0 1.0
   69    63   -79    73  -0.47000 -1.0 2.0
   69    63   -79    73   0.11750  1.0 3.0
   69    71    73    74   0.30150 -1.0 2.0
   69    71   -73    79   0.36750  1.0 3.0
   69    71    75    76   0.15000  1.0 3.0
   69    71    75    77   0.15000  1.0 3.0
   69    71    75    78   0.15000  1.0 3.0
   69    45    53    57  -0.25900  1.0 1.0
   69    45    53    57  -0.47000 -1.0 2.0
   69    45    53    57   0.11750  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73  -0.11250  1.0 3.0
   70    69    71    75   0.15000  1.0 3.0
   70    69    45    42   0.15000  1.0 3.0
   70    69    45    46   0.15000  1.0 3.0
   70    69    45    53   0.23400  1.0 3.0
   71    69    45    42   0.56750  1.0 1.0
   71    69    45    42  -0.07550 -1.0 2.0
   71    69    45    42   0.20000  1.0 3.0
   71    69    45    46   0.15000  1.0 3.0
   71    69    45    53   0.62750  1.0 1.0
   71    69    45    53  -0.30950 -1.0 2.0
   71    69    45    53   0.27300  1.0 3.0
   71    73   -79    63   1.63150  1.0 1.0
   71    73   -79    63   2.92000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    79   0.00000  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   73    71    75    76  -0.11250  1.0 3.0
   73    71    75    77  -0.11250  1.0 3.0
   73    71    75    78  -0.11250  1.0 3.0
   74    73    79    63   3.00000 -1.0 2.0
   79    63    69    70   0.23400  1.0 3.0
   79    63   -69    71   0.62750  1.0 1.0
   79    63   -69    71  -0.30950 -1.0 2.0
   79    63   -69    71   0.27300  1.0 3.0
   79    63    69    45   0.62750  1.0 1.0
   79    63    69    45  -0.30950 -1.0 2.0
   79    63    69    45   0.27300  1.0 3.0
   75    71    73    74   0.30150 -1.0 2.0
   75    71    73    79   0.36750  1.0 3.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    69    71    72   0.15000  1.0 3.0
   45    69    71    73  -0.95700  1.0 1.0
   45    69    71    73  -0.18200 -1.0 2.0
   45    69    71    73   0.29450  1.0 3.0
   45    69    71    75   0.56750  1.0 1.0
   45    69    71    75  -0.07550 -1.0 2.0
   45    69    71    75   0.20000  1.0 3.0
   45    53    57    58   3.00000 -1.0 2.0
   45    53    57    65   1.63150  1.0 1.0
   45    53    57    65   2.92000 -1.0 2.0
   46    45    53    57   0.08050  1.0 3.0
   53    57    65    66   0.00000  1.0 1.0
   53    57    65    67   0.00000  1.0 1.0
   53    57    65    68   0.00000  1.0 1.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    67   0.00000  1.0 1.0
   58    57    65    68   0.00000  1.0 1.0
   59    51    54    55   0.15000  1.0 3.0
   59    51    54    56   0.15000  1.0 3.0
   59    51    54    63   0.56750  1.0 1.0
   59    51    54    63  -0.07550 -1.0 2.0
   59    51    54    63   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    69   0.56750  1.0 1.0
   47    42    45    69  -0.07550 -1.0 2.0
   47    42    45    69   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   71    79    73    74  10.50000 -1.0 2.0
   53    65    57    58  10.50000 -1.0 2.0
END
