* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    247     466
    1     0 S   NP   _N1_     1    28.90062    96.12103   -24.63568
    2     1 S   H    _HN1     2     1.02791   112.99569   -92.60390
    3     1 S   H    _H1_     3     1.02950    72.96260    10.56881
    4     1 S   H    _H2_     4     1.02828    34.81730   178.88864
    5     1 S   CT   _CA1     5     1.50129   130.45709   113.15584
    6     5 S   HC   _HA1     6     1.09575   105.17802    93.12501
    7     5 S   CO3  _C1_     7     1.53773   112.41150   -27.09566
    8     7 S   O2Z  _O11     8     1.26377   115.00540   -43.52675
    9     7 S   O2Z  _O12     9     1.26233   114.93124   135.47344
   10     5 S   CT   _CB1    10     1.53059   107.40272  -148.92193
   11    10 S   HC   HB11    11     1.09839   109.34188   -49.53732
   12    10 S   HC   HB12    12     1.09813   110.47051    67.05201
   13    10 S   CT   _CG1    13     1.53011   112.63773  -170.49041
   14    13 S   HC   HG11    14     1.09583   110.68616   -66.41641
   15    13 S   HC   HG12    15     1.09669   109.76221    52.84825
   16    13 S   C    _CD1    16     1.51807   112.05760   173.30075
   17    16 S   O    _OE1    17     1.22750   123.21507     9.44577
   18    16 S   N    _N2_    18     1.38631   111.77515  -170.63322
   19    18 S   H    _HN2    19     1.01586   119.01033     1.36344
   20    18 S   CT1  _CA2    20     1.46252   123.38615   177.71981
   21    20 S   HC   _HA2    21     1.09738   109.30387     5.54659
   22    20 S   C    _C2_    22     1.53603   108.94740  -110.02590
   23    22 S   O    _O2_    23     1.23078   122.22134  -149.56137
   24    20 S   CT   _CB2    32     1.53392   111.42128   127.47413
   25    24 S   HC   HB21    33     1.09381   109.60061    57.98023
   26    24 S   HC   HB22    34     1.09493   110.00455   176.48153
   27    22 S   N    _N3_    24     1.38307   113.83188    37.97390
   28    27 S   H    _HN3    25     1.01561   119.57409    -3.48206
   29    24 S   S    _SG2    35     1.83026   110.99110   -64.38784
   30    27 S   CT   _CA3    26     1.45282   123.26902   177.10998
   31    30 S   HC   HA31    27     1.09548   107.51619   -64.53217
   32    30 S   HC   HA32    28     1.09555   107.98832    51.91950
   33    29 S   CT   _C16    36     1.88508   102.02135   161.29170
   34    30 S   CO3  _C3_    29     1.52971   114.04819   173.90169
   35    34 S   O2Z  _O31    30     1.26381   116.06439    -0.88669
   36    34 S   O2Z  _O32    31     1.26426   114.41964   179.18099
   37    33 S   CT   _C7_    37     1.57322   111.16767   175.55058
   38    37 S   HC   _H30    38     1.10062   106.86529  -166.32853
   39    33 S   CT   _C18    78     1.55312   106.30058    53.10964
   40    39 S   HC   _H41    79     1.09601   110.96685    43.16995
   41    39 S   HC   _H42    80     1.09546   110.91037   -77.20499
   42    37 S   CT   _C6_    39     1.54738   106.42903    82.02843
   43    42 S   HC   _H29    40     1.09797   109.45625   132.07304
   44    39 S   OH   _O24    81     1.42441   113.05615   161.98208
   45    44 S   HO   _H48    82     0.97177   107.10890   174.88350
   46    42 S   CM   _C4_    41     1.49953   112.80322  -108.60706
   47    46 S   HC   _H27    42     1.08601   118.13808   176.52847
   48    42 S   CT   _C9_    71     1.54592   105.61307    13.14396
   49    48 S   HC   _H32    72     1.09811   110.04471  -104.78177
   50    46 S   CM   _C5_    43     1.33611   122.31343    -0.63056
   51    50 S   HC   _H28    44     1.08093   123.19215   174.66307
   52    33 S   CT   _C8_    73     1.58260   108.80293   -72.74814
   53    52 S   OM   _O16    74     1.32654   111.64187   166.84442
   54    52 S   HC   _H31    75     1.09742   109.61635    34.98308
   55    48 S   OH   _O19    76     1.42353   111.37368   138.41545
   56    55 S   HO   _H43    77     0.97440   105.70764   -85.14889
   57    50 S   OS   _O17    45     1.36659   125.88156    -2.63908
   58    37 S   CO   _C14    46     1.53978   118.68154   -47.02779
   59    58 S   HC   _H37    47     1.09591   108.73681   -39.71774
   60    58 S   OS1  _O25    48     1.44077   107.06098  -156.35121
   61    60 S   CO1  _C15    49     1.43237   113.04142   164.90038
   62    61 S   HC   _H38    50     1.09777   108.96506    49.28228
   63    61 S   CT   _C12    51     1.53370   107.30181   168.42657
   64    63 S   HC   _H35    52     1.09681   110.00584    52.57777
   65    63 S   CT   _C10    53     1.53075   111.18930   174.52775
   66    65 S   HC   _H33    54     1.09668   110.22733    73.66289
   67    63 S   OH5  _O22    69     1.42954   110.05684   -64.20645
   68    67 S   HO   _H46    70     0.97223   108.20023   -57.82647
   69    65 S   CT   _C11    55     1.53184   111.34812   -49.03283
   70    69 S   HC   _H34    56     1.09705   109.05911   -71.43366
   71    65 S   OH5  _O20    67     1.42952   109.65286  -170.46001
   72    71 S   HO   _H44    68     0.97242   108.12581    60.32805
   73    69 S   CT   _C13    57     1.53231   110.67265    49.80674
   74    73 S   HC   _H36    58     1.09834   110.94323    64.17976
   75    69 S   OH5  _O21    65     1.42603   109.68835   171.72526
   76    75 S   HO   _H45    66     0.97255   108.20311   -57.83801
   77    61 S   OS1  _O18    59     1.42868   110.61298   -71.81408
   78    73 S   CT   _C17    60     1.52983   111.53576  -175.00919
   79    78 S   HC   _H39    61     1.09503   111.00643    69.62659
   80    78 S   HC   _H40    62     1.09396   111.56993   -52.79286
   81    78 S   OH5  _O23    63     1.42508   109.04225  -171.71701
   82    81 S   HO   _H47    64     0.97240   107.01167  -178.12341
  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  13   5   4   3
  20   2   1   1  21  10  10   4   3  16   8   2   1   9   4   8
   5   5   2   5   2   1   1   1   4   6   2   8  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    58    48    52    53    54    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    57    58    59    60    48    49    52    53    54    55    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    50    57    58    59    60    61    48    49    52    53    54    55    39    40    41    44  
   42    43    46    57    58    59    60    48    52    39  
   40    41    44    45    42    48    52    53    54    58  
   41    44    45    52  
   44    45    52  
   43    46    47    50    51    57    58    59    60    48    49    52    53    54    55    56  
   46    47    50    58    48    49    52    55  
   45    52  
    0  
   47    50    51    57    58    48    49    52    55  
   50    51    57    48  
   49    52    53    54    55    56    50    58  
   52    53    54    55    56  
   51    57    58    59    60  
   57    58  
   53    54    55    56    58  
   54    55  
   55  
   56  
    0  
   58    59    60    61  
   59    60    61    62    63    77  
   60    61  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   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   0.205000   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  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   4.2000   0.3000  -0.080000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    58   250.000  1.527
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    57   440.000  1.360
   57    58   320.000  1.380
   58    59   340.000  1.090
   58    60   320.000  1.380
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   320.000  1.410
   52    53   570.000  1.307
   52    54   340.000  1.090
   55    56   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    58    75.00000  109.43000
   33    52    48    58.35000  112.70000
   33    52    53    50.00000  109.50000
   33    52    54    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    70.00000  112.02700
   37    42    48    58.35000  112.70000
   37    58    57    90.00000  108.56700
   37    58    59    45.00000  112.01100
   37    58    60    90.00000  108.56700
   42    37    38    37.50000  110.70000
   42    46    47    35.00000  117.00000
   42    46    50    70.00000  124.00000
   42    48    49    37.50000  110.70000
   42    48    52    58.35000  112.70000
   42    48    55    50.00000  109.50000
   46    42    43    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    57    80.00000  120.01400
   50    46    47    35.00000  120.00000
   50    57    58    85.00000  113.97000
   57    50    51    55.00000  109.52600
   57    58    59    35.00000  109.50000
   57    58    60    92.60000  111.55000
   58    37    38    45.00000  108.72000
   58    37    42    75.00000  109.43000
   58    60    61    90.00000  112.10700
   60    58    59    35.00000  109.50000
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   48    42    43    37.50000  110.70000
   48    42    46    70.00000  112.02700
   48    52    53    50.00000  109.50000
   48    52    54    37.50000  110.70000
   48    55    56    55.00000  108.50000
   52    33    37    58.35000  112.70000
   52    48    49    37.50000  110.70000
   54    52    53    45.00000  125.66300
   55    48    49    35.00000  109.50000
   55    48    52    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    58   0.44750  1.0 1.0
   29    33    37    58  -0.17800 -1.0 2.0
   29    33    37    58   0.20200  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.34400  1.0 1.0
   33    37    42    46   0.09450 -1.0 2.0
   33    37    42    46   0.11100  1.0 3.0
   33    37   -42    48   0.56750  1.0 1.0
   33    37   -42    48  -0.07550 -1.0 2.0
   33    37   -42    48   0.20000  1.0 3.0
   33    37    58    57   0.62750  1.0 1.0
   33    37    58    57  -0.30950 -1.0 2.0
   33    37    58    57   0.27300  1.0 3.0
   33    37    58    59   0.15000  1.0 3.0
   33    37    58    60   0.62750  1.0 1.0
   33    37    58    60  -0.30950 -1.0 2.0
   33    37    58    60   0.27300  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -52    48   0.56750  1.0 1.0
   37    33   -52    48  -0.07550 -1.0 2.0
   37    33   -52    48   0.20000  1.0 3.0
   37    33    52    53   0.62750  1.0 1.0
   37    33    52    53  -0.30950 -1.0 2.0
   37    33    52    53   0.27300  1.0 3.0
   37    33    52    54   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    50   0.09850  1.0 1.0
   37    42    46    50   0.15250 -1.0 2.0
   37    42    46    50  -0.50650  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42   -48    52   0.56750  1.0 1.0
   37    42   -48    52  -0.07550 -1.0 2.0
   37    42   -48    52   0.20000  1.0 3.0
   37    42    48    55   0.86500  1.0 1.0
   37    42    48    55  -0.17500 -1.0 2.0
   37    42    48    55   0.20800  1.0 3.0
   37    58    60    61   0.06250  1.0 1.0
   37    58    60    61  -0.01100 -1.0 2.0
   37    58    60    61   0.28050  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    58    57   0.23400  1.0 3.0
   38    37    58    59   0.15000  1.0 3.0
   38    37    58    60   0.23400  1.0 3.0
   42    37    58    57   0.62750  1.0 1.0
   42    37    58    57  -0.30950 -1.0 2.0
   42    37    58    57   0.27300  1.0 3.0
   42    37    58    59   0.15000  1.0 3.0
   42    37    58    60   0.62750  1.0 1.0
   42    37    58    60  -0.30950 -1.0 2.0
   42    37    58    60   0.27300  1.0 3.0
   42    46    50    51   7.00000 -1.0 2.0
   42    46   -50    57   7.00000 -1.0 2.0
   42    48   -52    33   0.56750  1.0 1.0
   42    48   -52    33  -0.07550 -1.0 2.0
   42    48   -52    33   0.20000  1.0 3.0
   42    48    52    53   0.62750  1.0 1.0
   42    48    52    53  -0.30950 -1.0 2.0
   42    48    52    53   0.27300  1.0 3.0
   42    48    52    54   0.15000  1.0 3.0
   42    48    55    56  -0.11600  1.0 1.0
   42    48    55    56  -0.09450 -1.0 2.0
   42    48    55    56   0.21250  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    52   0.15000  1.0 3.0
   43    42    48    55   0.23400  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    52   0.34400  1.0 1.0
   46    42    48    52   0.09450 -1.0 2.0
   46    42    48    52   0.11100  1.0 3.0
   46    42    48    55   1.05650  1.0 1.0
   46    42    48    55   0.15600 -1.0 2.0
   46    42    48    55   0.53150  1.0 3.0
   46    50    57    58  -2.26850  1.0 1.0
   46    50    57    58   3.39050 -1.0 2.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    57   7.00000 -1.0 2.0
   50    57   -58    37  -0.46850  1.0 1.0
   50    57   -58    37   0.09300 -1.0 2.0
   50    57   -58    37  -0.12850  1.0 3.0
   50    57    58    59   0.08050  1.0 3.0
   50    57    58    60  -0.48150  1.0 1.0
   50    57    58    60   0.09250 -1.0 2.0
   50    57    58    60  -0.12850  1.0 3.0
   51    50    57    58   0.50000 -1.0 2.0
   57    58    60    61  -0.53350  1.0 1.0
   57    58    60    61  -0.78350 -1.0 2.0
   57    58    60    61   0.33750  1.0 3.0
   58    37    42    43   0.15000  1.0 3.0
   58    37   -42    46   0.34400  1.0 1.0
   58    37   -42    46   0.09450 -1.0 2.0
   58    37   -42    46   0.11100  1.0 3.0
   58    37    42    48   3.97050  1.0 1.0
   58    60    61    62   0.37050  1.0 3.0
   58    60    61    63   0.06250  1.0 1.0
   58    60    61    63  -0.01100 -1.0 2.0
   58    60    61    63   0.28050  1.0 3.0
   58    60    61    77  -0.12700  1.0 1.0
   58    60    61    77  -1.16200 -1.0 2.0
   58    60    61    77   0.58800  1.0 3.0
   59    58    60    61   0.37050  1.0 3.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   48    42    46    47   0.00000  1.0 1.0
   48    42    46    50   0.09850  1.0 1.0
   48    42    46    50   0.15250 -1.0 2.0
   48    42    46    50  -0.50650  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.23400  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    42   0.56750  1.0 1.0
   52    33   -37    42  -0.07550 -1.0 2.0
   52    33   -37    42   0.20000  1.0 3.0
   52    33    37    58   3.97050  1.0 1.0
   52    33    39    40   0.15000  1.0 3.0
   52    33    39    41   0.15000  1.0 3.0
   52    33    39    44   0.86500  1.0 1.0
   52    33    39    44  -0.17500 -1.0 2.0
   52    33    39    44   0.20800  1.0 3.0
   52    48    55    56  -0.11600  1.0 1.0
   52    48    55    56  -0.09450 -1.0 2.0
   52    48    55    56   0.21250  1.0 3.0
   55    48    52    33   0.86500  1.0 1.0
   55    48    52    33  -0.17500 -1.0 2.0
   55    48    52    33   0.20800  1.0 3.0
   55    48    52    53   3.69350  1.0 1.0
   55    48    52    53  -1.82950 -1.0 2.0
   55    48    52    54   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    58   3.97050  1.0 1.0
   39    33    52    48   0.56750  1.0 1.0
   39    33    52    48  -0.07550 -1.0 2.0
   39    33    52    48   0.20000  1.0 3.0
   39    33    52    53   0.62750  1.0 1.0
   39    33    52    53  -0.30950 -1.0 2.0
   39    33    52    53   0.27300  1.0 3.0
   39    33    52    54   0.15000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   42    47    46    50   1.10000 -1.0 2.0
   57    51    50    46   1.10000 -1.0 2.0
END
