* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    248     460
    1     0 S   NP   _N1_     1    28.99209    95.76481   -24.80225
    2     1 S   H    _HN1     2     1.02820    33.03596  -175.15511
    3     1 S   H    _H1_     3     1.02779   113.19789   -87.66855
    4     1 S   H    _H2_     4     1.02960    74.64514    16.06153
    5     1 S   CT   _CA1     5     1.50151   129.48504   119.97162
    6     5 S   HC   _HA1     6     1.09578   105.16820    91.05140
    7     5 S   CO3  _C1_     7     1.53788   112.49530   -29.02169
    8     7 S   O2Z  _O11     8     1.26365   115.02170   -40.62810
    9     7 S   O2Z  _O12     9     1.26251   114.95039   138.39609
   10     5 S   CT   _CB1    10     1.53063   107.34400  -151.08716
   11    10 S   HC   HB11    11     1.09829   109.21580   -50.44636
   12    10 S   HC   HB12    12     1.09817   110.45078    66.08390
   13    10 S   CT   _CG1    13     1.52979   112.73733  -171.54562
   14    13 S   HC   HG11    14     1.09589   110.48829   -66.48657
   15    13 S   HC   HG12    15     1.09667   109.92932    52.77259
   16    13 S   C    _CD1    16     1.51795   112.28396   173.00014
   17    16 S   O    _OE1    17     1.22708   123.31375     0.79672
   18    16 S   N    _N2_    18     1.38653   111.65447  -178.74010
   19    18 S   H    _HN2    19     1.01571   118.98592     1.64235
   20    18 S   CT1  _CA2    20     1.46100   123.28670   177.98326
   21    20 S   HC   _HA2    21     1.09445   109.07370     1.44821
   22    20 S   C    _C2_    22     1.53515   108.97965  -113.56862
   23    22 S   O    _O2_    23     1.23068   122.25574  -148.84017
   24    20 S   CT   _CB2    32     1.53212   111.49453   123.89440
   25    24 S   HC   HB21    33     1.09666   109.54239    57.96174
   26    24 S   HC   HB22    34     1.09510   111.32117   175.13627
   27    22 S   N    _N3_    24     1.38321   113.72010    38.61286
   28    27 S   H    _HN3    25     1.01589   119.54610    -2.96775
   29    24 S   S    _SG2    35     1.82936   114.18386   -61.49784
   30    27 S   CT   _CA3    26     1.45279   123.17828   176.87150
   31    30 S   HC   HA31    27     1.09550   107.45858   -66.00701
   32    30 S   HC   HA32    28     1.09559   108.03491    50.42620
   33    29 S   CT   _C9_    36     1.83938   100.34123   -68.81595
   34    33 S   HC   _H4_    37     1.09476   105.92312    67.88565
   35    30 S   CO3  _C3_    29     1.52954   114.11701   172.52433
   36    35 S   O2Z  _O31    30     1.26372   116.08471     0.91813
   37    35 S   O2Z  _O32    31     1.26436   114.41436  -179.00791
   38    33 S   CM   _C10    38     1.50983   109.00218  -172.47074
   39    33 S   OS   _O35    70     1.42944   110.79290   -51.50305
   40    38 S   CMA  _C11    39     1.35080   126.84329  -113.94557
   41    40 S   OM   _O38    40     1.26287   127.88647    -0.63858
   42    39 S   CO   _C7_    71     1.42373   113.01111   149.53887
   43    42 S   HC   _H3_    72     1.09588   111.48751    49.64606
   44    40 S   OS   _O36    41     1.41923   109.95671  -179.21416
   45    42 S   CM   _C6_    73     1.47748   108.49386   171.82701
   46    45 S   HC   _H10    74     1.08055   123.78586   -60.66971
   47    44 S   CT   _C12    42     1.44302   107.53176   -13.04125
   48    47 S   HC   _H5_    43     1.09564   107.06180  -100.37444
   49    45 S   CM   _C5_    75     1.33038   111.51689   119.25346
   50    38 S   CT   _C13    44     1.48945   121.98768    66.31332
   51    50 S   HC   _H6_    45     1.09399   113.82404   -49.55771
   52    49 S   CO4  _C8_    76     1.46715   106.37422     0.07402
   53    52 S   O    _O34    77     1.21873   125.50005  -179.76845
   54    49 S   CT   _C4_    79     1.47808   130.00259  -179.79729
   55    54 S   HC   _H7_    80     1.09449   110.52409   119.99509
   56    54 S   HC   _H8_    81     1.09480   111.42662     0.00000
   57    54 S   HC   _H9_    82     1.09447   110.52855  -119.98572
   58    50 S   CM   _C14    46     1.49712   115.34756    79.73028
   59    58 S   HC   _H11    47     1.08066   123.74332   -65.11281
   60    42 S   OS   _O33    78     1.43194   112.70839   -74.21380
   61    58 S   CM   _C15    48     1.33778   111.66846   122.28571
   62    61 S   CT   _C20    49     1.48990   127.71157   168.87357
   63    62 S   HC   _H16    50     1.09600   111.28600     3.68291
   64    62 S   HC   _H17    51     1.09573   109.78190   121.70521
   65    62 S   CT   _C19    52     1.53187   109.35173  -117.41746
   66    65 S   HC   _H14    53     1.09716   109.29885    74.64444
   67    65 S   HC   _H15    54     1.09643   109.28738  -169.57225
   68    65 S   CT   _C18    55     1.53882   113.36644   -47.41106
   69    68 S   HC   _H12    56     1.09767   108.70641   174.59804
   70    68 S   HC   _H13    57     1.09768   108.31318   -70.90520
   71    68 S   CT   _C17    58     1.56419   113.92598    51.60640
   72    47 S   CT   _C16    59     1.55148   111.55357   135.46334
   73    71 S   CT   _C21    62     1.54689   108.91579    70.20487
   74    73 S   HC   _H18    63     1.09490   111.60131   174.12677
   75    73 S   HC   _H19    64     1.09648   110.74473    55.19079
   76    73 S   HC   _H20    65     1.09380   112.63376   -64.66627
   77    71 S   CT   _C22    66     1.54473   107.89288  -173.56340
   78    77 S   HC   _H21    67     1.09502   111.40708   179.19887
   79    77 S   HC   _H22    68     1.09529   111.81726    58.54432
   80    77 S   HC   _H23    69     1.09623   110.97553   -61.02115
   81    72 S   OH   _O37    60     1.43020   108.92854    17.30006
   82    81 S   HO   _H24    61     0.96995   109.28095  -164.60939
  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
  14   5   2   1   1  13   9   8   3   8   5   9   9   4  14   7
   7   8   4   6   2   4   2   1   1   9   3   1  13  11   6   5
   9   5   4  13   5   4  11  10   8   3   2   1   4   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    50    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    47    50    51    58    39    42    43    45    60  
   38    40    50    39    42  
   36    37  
   37  
    0  
   40    41    44    47    48    50    51    58    59    61    72    39    42  
   42    43    45    46    49    52    60    40    50  
   41    44    47    48    50    51    58    72  
   44    47    50  
   43    45    46    49    52    53    60    54  
   45    46    49    52    60  
   47    48    50    51    58    61    71    72    81  
   46    49    52    53    60    54    55    56    57  
   49    52    60    54  
   48    50    51    58    59    61    62    68    71    72    81    82    73    77  
   50    51    58    61    71    72    81  
   52    53    60    54    55    56    57  
   51    58    59    61    62    71    72    81  
   58    59    61    72  
   53    60    54    55    56    57  
   60    54  
   55    56    57    60  
   56    57  
   57  
    0  
   59    61    62    63    64    65    71    72    81  
   61    62    72  
    0  
   62    63    64    65    66    67    68    71    72    81    82    73    77  
   63    64    65    66    67    68    69    70    71    72    81  
   64    65    66    67    68    72  
   65    66    67    68    72  
   66    67    68    69    70    71    72    73    77  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    81    73    74    75    76    77    78    79    80  
   70    71    72    73    77  
   71    72    73    77  
   72    81    82    73    74    75    76    77    78    79    80  
   81    82    73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80    81  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80  
   80  
    0  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    50   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    72   268.000  1.529
   50    51   340.000  1.090
   50    58   317.000  1.510
   58    59   340.000  1.080
   58    61   549.000  1.340
   61    62   317.000  1.510
   61    72   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   268.000  1.529
   71    73   268.000  1.529
   71    77   268.000  1.529
   72    81   320.000  1.410
   81    82   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   39    42   320.000  1.380
   42    43   340.000  1.090
   42    45   317.000  1.510
   42    60   320.000  1.380
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    52   320.000  1.462
   49    54   317.000  1.510
   52    53   570.000  1.229
   52    60   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    50    65.00000  117.92700
   33    39    42    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   38    50    47    70.00000  112.02700
   38    50    51    35.00000  109.50000
   38    50    58    70.00000  110.12100
   40    44    47    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    47    48    35.00000  109.50000
   44    47    50    50.00000  109.50000
   44    47    72    50.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    58    70.00000  112.02700
   47    72    61    70.00000  112.02700
   47    72    71    58.35000  112.70000
   47    72    81    50.00000  109.50000
   50    38    40    70.00000  124.00000
   50    47    48    37.50000  110.70000
   50    58    59    35.00000  117.00000
   50    58    61    70.00000  124.00000
   58    50    51    35.00000  109.50000
   58    61    62    70.00000  124.00000
   58    61    72    70.00000  124.00000
   61    58    59    35.00000  120.00000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    70.00000  112.02700
   61    72    71    70.00000  112.02700
   61    72    81    90.00000  110.39200
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    58.35000  112.70000
   68    71    73    58.35000  112.70000
   68    71    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    72    81    50.00000  109.50000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    37.50000  110.70000
   72    47    48    37.50000  110.70000
   72    47    50    58.35000  112.70000
   72    61    62    65.00000  117.92700
   72    81    82    55.00000  108.50000
   73    71    72    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
   77    71    72    58.35000  112.70000
   77    71    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    42    43    35.00000  109.50000
   39    42    45    85.00000  110.90400
   39    42    60    92.60000  111.55000
   42    45    46    35.00000  117.00000
   42    45    49    70.00000  124.00000
   42    60    52    95.00000  111.08000
   45    42    43    35.00000  109.50000
   45    49    52    65.00000  118.96000
   45    49    54    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    52    53    80.00000  123.72100
   49    52    60    90.00000  111.29400
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   60    42    43    35.00000  109.50000
   60    42    45    85.00000  110.90400
   60    52    53    83.00000  123.40000
   54    49    52    65.00000  116.34900
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    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    38    50   0.30250  1.0 1.0
   29    33    38    50  -0.14950 -1.0 2.0
   29    33    38    50   0.36900  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    50    47   0.46850  1.0 1.0
   33    38    50    47   0.08550 -1.0 2.0
   33    38    50    47   0.09800  1.0 3.0
   33    38    50    51   0.34800  1.0 3.0
   33    38    50    58   0.09700  1.0 1.0
   33    38    50    58   0.15600 -1.0 2.0
   33    38    50    58  -0.50800  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    45  -0.77900  1.0 1.0
   33    39    42    45  -0.36900 -1.0 2.0
   33    39    42    45   0.40400  1.0 3.0
   33    39    42    60  -0.53350  1.0 1.0
   33    39    42    60  -0.78350 -1.0 2.0
   33    39    42    60   0.33750  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    50   0.34800  1.0 3.0
   34    33    39    42   0.37050  1.0 3.0
   38    33    39    42  -0.77900  1.0 1.0
   38    33    39    42  -0.36900 -1.0 2.0
   38    33    39    42   0.40400  1.0 3.0
   38    40   -44    47  -2.26850  1.0 1.0
   38    40   -44    47   3.39050 -1.0 2.0
   38    50    58    59   0.00000  1.0 1.0
   38    50    58    61  -0.28300  1.0 1.0
   38    50    58    61   0.26700 -1.0 2.0
   38    50    58    61  -0.63300  1.0 3.0
   40    38   -50    47   0.09850  1.0 1.0
   40    38   -50    47   0.15250 -1.0 2.0
   40    38   -50    47  -0.50650  1.0 3.0
   40    38    50    51   0.00000  1.0 1.0
   40    38    50    58  -0.28300  1.0 1.0
   40    38    50    58   0.26700 -1.0 2.0
   40    38    50    58  -0.63300  1.0 3.0
   40    44    47    48   0.08050  1.0 3.0
   40    44   -47    50  -0.46850  1.0 1.0
   40    44   -47    50   0.09300 -1.0 2.0
   40    44   -47    50  -0.12850  1.0 3.0
   40    44    47    72  -0.46850  1.0 1.0
   40    44    47    72   0.09300 -1.0 2.0
   40    44    47    72  -0.12850  1.0 3.0
   41    40    44    47   2.00000 -1.0 2.0
   44    47   -50    38   0.61850  1.0 1.0
   44    47   -50    38  -0.22750 -1.0 2.0
   44    47   -50    38   0.15300  1.0 3.0
   44    47    50    51   0.23400  1.0 3.0
   44    47    50    58   0.61850  1.0 1.0
   44    47    50    58  -0.22750 -1.0 2.0
   44    47    50    58   0.15300  1.0 3.0
   44    47    72    61   0.61850  1.0 1.0
   44    47    72    61  -0.22750 -1.0 2.0
   44    47    72    61   0.15300  1.0 3.0
   44    47    72    71   0.62750  1.0 1.0
   44    47    72    71  -0.30950 -1.0 2.0
   44    47    72    71   0.27300  1.0 3.0
   44    47    72    81   3.69350  1.0 1.0
   44    47    72    81  -1.82950 -1.0 2.0
   47    50    58    59   0.00000  1.0 1.0
   47    50   -58    61   0.09850  1.0 1.0
   47    50   -58    61   0.15250 -1.0 2.0
   47    50   -58    61  -0.50650  1.0 3.0
   47    72    81    82  -0.11600  1.0 1.0
   47    72    81    82  -0.09450 -1.0 2.0
   47    72    81    82   0.21250  1.0 3.0
   48    47    50    38   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    58   0.15000  1.0 3.0
   48    47    72    61   0.15000  1.0 3.0
   48    47    72    71   0.15000  1.0 3.0
   48    47    72    81   0.23400  1.0 3.0
   50    38    40    41   7.00000 -1.0 2.0
   50    38   -40    44   7.00000 -1.0 2.0
   50    47   -72    61   0.34400  1.0 1.0
   50    47   -72    61   0.09450 -1.0 2.0
   50    47   -72    61   0.11100  1.0 3.0
   50    47    72    71   0.56750  1.0 1.0
   50    47    72    71  -0.07550 -1.0 2.0
   50    47    72    71   0.20000  1.0 3.0
   50    47    72    81   0.86500  1.0 1.0
   50    47    72    81  -0.17500 -1.0 2.0
   50    47    72    81   0.20800  1.0 3.0
   50    58    61    62   7.00000 -1.0 2.0
   50    58   -61    72   7.00000 -1.0 2.0
   51    50    58    59   0.33100  1.0 3.0
   51    50    58    61   0.00000  1.0 1.0
   58    61    62    63   0.00000  1.0 1.0
   58    61    62    64   0.00000  1.0 1.0
   58    61    62    65   0.09850  1.0 1.0
   58    61    62    65   0.15250 -1.0 2.0
   58    61    62    65  -0.50650  1.0 3.0
   58    61   -72    47   0.09850  1.0 1.0
   58    61   -72    47   0.15250 -1.0 2.0
   58    61   -72    47  -0.50650  1.0 3.0
   58    61    72    71   0.09850  1.0 1.0
   58    61    72    71   0.15250 -1.0 2.0
   58    61    72    71  -0.50650  1.0 3.0
   58    61    72    81   0.67800  1.0 1.0
   58    61    72    81   0.47050 -1.0 2.0
   58    61    72    81  -0.62500  1.0 3.0
   59    58    61    62   7.00000 -1.0 2.0
   59    58    61    72   7.00000 -1.0 2.0
   61    62    65    66   0.15000  1.0 3.0
   61    62    65    67   0.15000  1.0 3.0
   61    62    65    68   0.34400  1.0 1.0
   61    62    65    68   0.09450 -1.0 2.0
   61    62    65    68   0.11100  1.0 3.0
   61    72    81    82  -0.07800  1.0 1.0
   61    72    81    82  -0.21500 -1.0 2.0
   61    72    81    82  -0.03150  1.0 3.0
   62    61    72    47   0.46850  1.0 1.0
   62    61    72    47   0.08550 -1.0 2.0
   62    61    72    47   0.09800  1.0 3.0
   62    61    72    71   0.46850  1.0 1.0
   62    61    72    71   0.08550 -1.0 2.0
   62    61    72    71   0.09800  1.0 3.0
   62    61    72    81   0.18000  1.0 1.0
   62    61    72    81   0.16450 -1.0 2.0
   62    61    72    81   0.04450  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70   0.15000  1.0 3.0
   62    65   -68    71   0.56750  1.0 1.0
   62    65   -68    71  -0.07550 -1.0 2.0
   62    65   -68    71   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    71    72   0.56750  1.0 1.0
   65    68    71    72  -0.07550 -1.0 2.0
   65    68    71    72   0.20000  1.0 3.0
   65    68    71    73   0.56750  1.0 1.0
   65    68    71    73  -0.07550 -1.0 2.0
   65    68    71    73   0.20000  1.0 3.0
   65    68    71    77   0.56750  1.0 1.0
   65    68    71    77  -0.07550 -1.0 2.0
   65    68    71    77   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    72    47   0.56750  1.0 1.0
   68    71    72    47  -0.07550 -1.0 2.0
   68    71    72    47   0.20000  1.0 3.0
   68    71   -72    61   0.34400  1.0 1.0
   68    71   -72    61   0.09450 -1.0 2.0
   68    71   -72    61   0.11100  1.0 3.0
   68    71    72    81   0.86500  1.0 1.0
   68    71    72    81  -0.17500 -1.0 2.0
   68    71    72    81   0.20800  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    73    75   0.15000  1.0 3.0
   68    71    73    76   0.15000  1.0 3.0
   68    71    77    78   0.15000  1.0 3.0
   68    71    77    79   0.15000  1.0 3.0
   68    71    77    80   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    77   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    77   0.15000  1.0 3.0
   71    72    81    82  -0.11600  1.0 1.0
   71    72    81    82  -0.09450 -1.0 2.0
   71    72    81    82   0.21250  1.0 3.0
   72    47    50    38   0.34400  1.0 1.0
   72    47    50    38   0.09450 -1.0 2.0
   72    47    50    38   0.11100  1.0 3.0
   72    47    50    51   0.15000  1.0 3.0
   72    47   -50    58   0.34400  1.0 1.0
   72    47   -50    58   0.09450 -1.0 2.0
   72    47   -50    58   0.11100  1.0 3.0
   72    61    62    63   0.34800  1.0 3.0
   72    61    62    64   0.34800  1.0 3.0
   72    61   -62    65   0.46850  1.0 1.0
   72    61   -62    65   0.08550 -1.0 2.0
   72    61   -62    65   0.09800  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    76   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.15000  1.0 3.0
   73    71    72    47   0.56750  1.0 1.0
   73    71    72    47  -0.07550 -1.0 2.0
   73    71    72    47   0.20000  1.0 3.0
   73    71    72    61   0.34400  1.0 1.0
   73    71    72    61   0.09450 -1.0 2.0
   73    71    72    61   0.11100  1.0 3.0
   73    71    72    81   0.86500  1.0 1.0
   73    71    72    81  -0.17500 -1.0 2.0
   73    71    72    81   0.20800  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.15000  1.0 3.0
   77    71    72    47   0.56750  1.0 1.0
   77    71    72    47  -0.07550 -1.0 2.0
   77    71    72    47   0.20000  1.0 3.0
   77    71    72    61   0.34400  1.0 1.0
   77    71    72    61   0.09450 -1.0 2.0
   77    71    72    61   0.11100  1.0 3.0
   77    71    72    81   0.86500  1.0 1.0
   77    71    72    81  -0.17500 -1.0 2.0
   77    71    72    81   0.20800  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    50   0.09700  1.0 1.0
   39    33    38    50   0.15600 -1.0 2.0
   39    33    38    50  -0.50800  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.39000  1.0 1.0
   39    42    45    49  -0.05800 -1.0 2.0
   39    42    45    49  -0.55150  1.0 3.0
   39    42    60    52  -1.83450  1.0 1.0
   39    42    60    52  -0.02700 -1.0 2.0
   39    42    60    52  -0.20100  1.0 3.0
   42    45   -49    52   7.00000 -1.0 2.0
   42    45    49    54   7.00000 -1.0 2.0
   43    42    45    46   0.33100  1.0 3.0
   43    42    45    49   0.00000  1.0 1.0
   43    42    60    52   0.08050  1.0 3.0
   45    42   -60    52  -0.82050  1.0 1.0
   45    42   -60    52   0.00600 -1.0 2.0
   45    42   -60    52   0.04400  1.0 3.0
   45    49    52    53   1.00000 -1.0 2.0
   45    49   -52    60  -0.56150  1.0 1.0
   45    49   -52    60   2.19150 -1.0 2.0
   45    49    54    55   0.00000  1.0 1.0
   45    49    54    56   0.00000  1.0 1.0
   45    49    54    57   0.00000  1.0 1.0
   46    45    49    52   7.00000 -1.0 2.0
   46    45    49    54   7.00000 -1.0 2.0
   49    52   -60    42   2.00000 -1.0 2.0
   52    49    54    55   0.15000  1.0 3.0
   52    49    54    56   0.15000  1.0 3.0
   52    49    54    57   0.15000  1.0 3.0
   53    52    60    42   3.00000 -1.0 2.0
   60    42    45    46   0.00000  1.0 1.0
   60    42   -45    49   0.39000  1.0 1.0
   60    42   -45    49  -0.05800 -1.0 2.0
   60    42   -45    49  -0.55150  1.0 3.0
   54    49    52    53  -0.64400  1.0 1.0
   54    49    52    53   0.26850 -1.0 2.0
   54    49    52    60  -0.15000  1.0 1.0
   54    49    52    60   0.89550 -1.0 2.0
   54    49    52    60  -0.06900  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    50    38    40   1.10000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
   50    59    58    61   1.10000 -1.0 2.0
   62    72    61    58   1.10000 -1.0 2.0
   42    46    45    49   1.10000 -1.0 2.0
   52    54    49    45   1.10000 -1.0 2.0
   49    60    52    53  10.50000 -1.0 2.0
END
