* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    163    260     479
    1     0 S   NP   _N1_     1    28.84477    96.87771   -21.31771
    2     1 S   H    _HN1     2     1.02785    88.95991   -79.35261
    3     1 S   H    _H1_     3     1.02950    75.13049    29.90387
    4     1 S   H    _H2_     4     1.02832    45.15424   163.86764
    5     1 S   CT   _CA1     5     1.50114   153.70817   136.07514
    6     5 S   HC   _HA1     6     1.09579   105.21152    80.05925
    7     5 S   CO3  _C1_     7     1.53743   112.24153   -40.09678
    8     7 S   O2Z  _O11     8     1.26369   115.04540   -48.19329
    9     7 S   O2Z  _O12     9     1.26245   114.94417   130.78879
   10     5 S   CT   _CB1    10     1.53074   107.39106  -162.14609
   11    10 S   HC   HB11    11     1.09829   109.29852   -50.90473
   12    10 S   HC   HB12    12     1.09812   110.52037    65.66828
   13    10 S   CT   _CG1    13     1.52972   112.59259  -171.93559
   14    13 S   HC   HG11    14     1.09566   110.51254   -65.05666
   15    13 S   HC   HG12    15     1.09664   109.90504    54.14555
   16    13 S   C    _CD1    16     1.51819   112.24866   174.47391
   17    16 S   O    _OE1    17     1.22728   123.29759     2.08844
   18    16 S   N    _N2_    18     1.38614   111.64093  -177.85570
   19    18 S   H    _HN2    19     1.01596   118.92920     1.07301
   20    18 S   CT1  _CA2    20     1.46252   123.40771   178.24710
   21    20 S   HC   _HA2    21     1.09735   109.41775    -6.44117
   22    20 S   C    _C2_    22     1.53432   108.29680  -121.90341
   23    22 S   O    _O2_    23     1.23034   122.39119  -147.20255
   24    20 S   CT   _CB2    32     1.53312   111.47609   115.74306
   25    24 S   HC   HB21    33     1.09573   109.77036    54.82519
   26    24 S   HC   HB22    34     1.09459   110.36507   173.91572
   27    22 S   N    _N3_    24     1.38368   113.48320    40.23840
   28    27 S   H    _HN3    25     1.01633   119.50660    -3.50331
   29    24 S   S    _SG2    35     1.82739   111.36711   -66.39889
   30    27 S   CT   _CA3    26     1.45283   123.14292   177.02454
   31    30 S   HC   HA31    27     1.09551   107.53451   -63.79640
   32    30 S   HC   HA32    28     1.09558   107.94049    52.61361
   33    29 S   CT   _C17    36     1.86163    99.99356   161.15443
   34    33 S   HC   _H6_    37     1.09843   106.42339   -43.44125
   35    30 S   CO3  _C3_    29     1.52938   114.12891   174.60679
   36    35 S   O2Z  _O31    30     1.26367   116.06226    -0.25256
   37    35 S   O2Z  _O32    31     1.26429   114.41022   179.79729
   38    33 S   CT   _C16    38     1.56188   108.88443    69.75450
   39    38 S   HC   _H5_    39     1.09524   107.77293   -67.35709
   40    38 S   CT   _C15    40     1.53552   113.47748   171.89552
   41    40 S   HC   _H4_    41     1.09786   110.56527  -172.52546
   42    38 S   OH   _O36    82     1.42631   112.19555    49.25505
   43    42 S   HO   _H17    83     0.97236   107.95700  -171.35912
   44    40 S   CT   _C14    42     1.53049   109.74603   -54.15220
   45    44 S   HC   _H15    43     1.09516   110.41394   -62.82651
   46    44 S   HC   _H16    44     1.09752   109.31778  -180.00000
   47    40 S   OS   _O37    77     1.43099   111.39573    65.32220
   48    44 S   CT   _C13    45     1.52262   109.36251    61.21212
   49    48 S   HC   _H3_    46     1.09948   107.86931    68.03034
   50    47 S   CT   _C18    78     1.42126   113.56785    81.00755
   51    50 S   HC   _H18    79     1.09346   108.11160   176.70687
   52    50 S   HC   _H19    80     1.09413   110.60630    58.16215
   53    50 S   HC   _H20    81     1.09277   111.18153   -64.66517
   54    33 S   CT   _C12    47     1.57970   112.76310  -158.98265
   55    48 S   NP   _N4_    58     1.51279   110.83988  -174.71339
   56    55 S   H    _H7_    59     1.02907   111.42148   -36.73299
   57    54 S   CA   _C7_    48     1.57486   114.71160    78.62566
   58    55 S   CT   _C20    60     1.51548   106.53595    83.52371
   59    58 S   HC   _H23    61     1.09499   106.89850   -96.29147
   60    58 S   HC   _H24    62     1.09434   108.95989   145.69847
   61    57 S   CA   _C8_    49     1.40087   122.81133   -24.94599
   62    61 S   HA   _H12    50     1.08004   123.31825     1.92193
   63    54 S   CT   _C21    63     1.56376   117.12099   -47.07781
   64    63 S   HC   _H8_    64     1.09665   111.57877    92.19179
   65    61 S   CA   _C9_    51     1.38243   119.04342  -178.50459
   66    63 S   OH   _O38    65     1.41820   113.44382   -28.78164
   67    66 S   HO   _H25    66     0.97258   108.06859   172.87327
   68    65 S   CA   _C10    52     1.37653   122.92931    -0.27340
   69    68 S   CA   _C5_    53     1.38162   121.00792    -0.11535
   70    68 S   OS   _O34    72     1.36207   111.13319  -179.58646
   71    57 S   CA   _C6_    54     1.43928   119.34437   156.22723
   72    69 S   OS   _O33    67     1.36704   127.12301  -179.15512
   73    70 S   CO   _C11    73     1.43880   102.00186    -0.99308
   74    73 S   HC   _H13    74     1.09529   108.54784  -119.53852
   75    73 S   HC   _H14    75     1.09585   108.72331   122.37437
   76    71 S   CT   _C19    55     1.51728   119.73191    -3.78186
   77    76 S   HC   _H21    56     1.09553   111.85104   128.93031
   78    76 S   HC   _H22    57     1.09643   109.73220  -110.17215
   79    72 S   CT   _C4_    68     1.42052   118.40434    -1.65847
   80    79 S   HC   _H9_    69     1.09448   107.61166  -178.93762
   81    79 S   HC   _H10    70     1.09449   111.16668    63.74053
   82    79 S   HC   _H11    71     1.09458   111.24671   -61.56324
   83    65 S   OS   _O35    76     1.36308   124.20520  -179.98022
  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  10   5   4   3
  20   8   2   1   1  14   7  15   7   4   1  13   6   5   5  16
   7   3   2   1   1  16  13   8  15  10   5   4  10   4   5   2
   9   1   1  10  12   6   5   5   3   2   1   2   1   1   3   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    54    57    63    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    57    61    71    55    58    63    64    66    47    42    43  
   38    39    40    48    54    57    63    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    48    54    57    63    47    50    42    43  
   40    41    44    54    47    42    43  
   41    44    45    46    48    49    54    55    47    50    51    52    53    42    43  
   44    45    46    48    47    50    42  
   43    44    47    54  
    0  
   45    46    48    49    54    57    76    55    56    58    63    47    50  
   46    48    49    54    55    47  
   48    49    54    55    47  
   50    51    52    53    48  
   49    54    57    61    71    76    77    78    55    56    58    59    60    63    64    66  
   54    57    76    55    56    58    63  
   51    52    53  
   52    53  
   53  
    0  
   57    61    62    65    69    71    76    55    56    58    59    60    63    64    66    67  
   56    58    59    60    63    64    66    57    69    71    76    77    78  
   58    59    60    63    71    76    77    78  
   61    62    65    68    69    71    76    77    78    58    63    64    66    72    83  
   59    60    63    64    66    67    71    76    77    78  
   60    63    64    66    76  
   63    64    66    76  
   62    65    68    69    71    76    63    70    73    83  
   65    68    71    83  
   64    66    67    71    76  
   66    67  
   68    69    71    72    70    73    74    75    83  
   67  
    0  
   69    71    76    72    79    70    73    74    75    83  
   71    76    77    78    72    79    80    81    82    70    73    83  
   73    74    75    83    71    72  
   76    77    78    72    79  
   79    80    81    82    76  
   74    75    83  
   75    83  
   83  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   1.6450   1.4500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   56   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.285000   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   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    55   367.000  1.471
   54    57   317.000  1.510
   54    63   268.000  1.529
   57    61   469.000  1.400
   57    71   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    68   469.000  1.400
   65    83   450.000  1.364
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    71   469.000  1.400
   69    72   450.000  1.364
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    55   367.000  1.471
   55    56   434.000  1.010
   55    58   367.000  1.471
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    66   320.000  1.410
   66    67   553.000  0.945
   72    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   70    73   320.000  1.380
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    83   320.000  1.380
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    43   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    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  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    48    58.35000  112.70000
   33    54    57    70.00000  112.17500
   33    54    63    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    50    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    54    58.35000  112.70000
   44    48    55    80.00000  111.20000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    54    57    70.00000  112.17500
   48    54    63    58.35000  112.70000
   48    55    76    75.00000  113.01200
   48    55    56    35.00000  109.50000
   48    55    58    75.00000  113.01200
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    57    61    70.00000  120.00000
   54    57    71    70.00000  120.00000
   54    63    58    58.35000  112.70000
   54    63    64    37.50000  110.70000
   54    63    66    50.00000  109.50000
   57    61    62    35.00000  120.00000
   57    61    65    63.00000  120.00000
   57    71    69    63.00000  120.00000
   57    71    76    70.00000  120.00000
   61    65    68    63.00000  120.00000
   61    65    83    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    68    69    63.00000  120.00000
   65    68    70    70.00000  120.00000
   65    83    73   100.00000  112.36700
   68    69    71    63.00000  120.00000
   68    69    72    70.00000  120.00000
   68    70    73   100.00000  112.36700
   69    71    76    70.00000  120.00000
   69    72    79    75.00000  111.00000
   71    57    61    63.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    55    75.00000  110.83300
   76    55    56    35.00000  109.50000
   76    55    58    75.00000  113.01200
   78    76    77    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    54    80.00000  111.20000
   55    76    77    35.00000  109.50000
   55    76    78    35.00000  109.50000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    80.00000  111.20000
   58    55    56    35.00000  109.50000
   58    63    64    37.50000  110.70000
   58    63    66    50.00000  109.50000
   60    58    59    33.00000  107.80000
   63    54    57    70.00000  112.17500
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    55.00000  108.50000
   66    63    64    35.00000  109.50000
   72    69    71    70.00000  120.00000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   70    68    69    70.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    83    92.60000  111.55000
   75    73    74    33.00000  109.50000
   83    65    68    70.00000  120.00000
   83    73    74    35.00000  109.50000
   83    73    75    35.00000  109.50000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   29    33    54    63   0.44750  1.0 1.0
   29    33    54    63  -0.17800 -1.0 2.0
   29    33    54    63   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.62750  1.0 1.0
   33    38    40    47  -0.30950 -1.0 2.0
   33    38    40    47   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    54    57    61   0.04150 -1.0 2.0
   33    54    57    71   0.04150 -1.0 2.0
   33    54    63    58   0.56750  1.0 1.0
   33    54    63    58  -0.07550 -1.0 2.0
   33    54    63    58   0.20000  1.0 3.0
   33    54    63    64   0.15000  1.0 3.0
   33    54    63    66   0.86500  1.0 1.0
   33    54    63    66  -0.17500 -1.0 2.0
   33    54    63    66   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    57   0.43200  1.0 3.0
   34    33    54    63   0.15000  1.0 3.0
   38    33    54    48   0.56750  1.0 1.0
   38    33    54    48  -0.07550 -1.0 2.0
   38    33    54    48   0.20000  1.0 3.0
   38    33    54    57  -0.03700  1.0 1.0
   38    33    54    57   0.37200 -1.0 2.0
   38    33    54    57  -0.47300  1.0 3.0
   38    33    54    63   0.56750  1.0 1.0
   38    33    54    63  -0.07550 -1.0 2.0
   38    33    54    63   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    47    50   0.06250  1.0 1.0
   38    40    47    50  -0.01100 -1.0 2.0
   38    40    47    50   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    54   0.56750  1.0 1.0
   40    44    48    54  -0.07550 -1.0 2.0
   40    44    48    54   0.20000  1.0 3.0
   40    44    48    55   1.36600  1.0 1.0
   40    44    48    55  -0.11450 -1.0 2.0
   40    44    48    55   0.24250  1.0 3.0
   40    47    50    51   0.37050  1.0 3.0
   40    47    50    52   0.37050  1.0 3.0
   40    47    50    53   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    47    50   0.37050  1.0 3.0
   44    40    47    50   0.06250  1.0 1.0
   44    40    47    50  -0.01100 -1.0 2.0
   44    40    47    50   0.28050  1.0 3.0
   44    48   -54    33   0.56750  1.0 1.0
   44    48   -54    33  -0.07550 -1.0 2.0
   44    48   -54    33   0.20000  1.0 3.0
   44    48    54    57  -0.03700  1.0 1.0
   44    48    54    57   0.37200 -1.0 2.0
   44    48    54    57  -0.47300  1.0 3.0
   44    48    54    63   0.56750  1.0 1.0
   44    48    54    63  -0.07550 -1.0 2.0
   44    48    54    63   0.20000  1.0 3.0
   44    48    55    76   0.47100  1.0 1.0
   44    48    55    56   0.17350  1.0 3.0
   44    48    55    58   0.47100  1.0 1.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    48    55   0.19200  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    54   0.15000  1.0 3.0
   46    44    48    55   0.19200  1.0 3.0
   48    54    57    61   0.04150 -1.0 2.0
   48    54    57    71   0.04150 -1.0 2.0
   48    54   -63    58   0.56750  1.0 1.0
   48    54   -63    58  -0.07550 -1.0 2.0
   48    54   -63    58   0.20000  1.0 3.0
   48    54    63    64   0.15000  1.0 3.0
   48    54    63    66   0.86500  1.0 1.0
   48    54    63    66  -0.17500 -1.0 2.0
   48    54    63    66   0.20800  1.0 3.0
   48    55    58    59   0.15000  1.0 3.0
   48    55    58    60   0.15000  1.0 3.0
   48    55   -58    63   0.47100  1.0 1.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    57   0.43200  1.0 3.0
   49    48    54    63   0.15000  1.0 3.0
   49    48    55    76   0.15000  1.0 3.0
   49    48    55    56   0.13050  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    48    55    76   0.47100  1.0 1.0
   54    48    55    56   0.17350  1.0 3.0
   54    48   -55    58   0.47100  1.0 1.0
   54    57    61    62   3.62500 -1.0 2.0
   54    57    61    65   3.62500 -1.0 2.0
   54    57    71    69   3.62500 -1.0 2.0
   54    57   -71    76   3.62500 -1.0 2.0
   54    63    66    67  -0.11600  1.0 1.0
   54    63    66    67  -0.09450 -1.0 2.0
   54    63    66    67   0.21250  1.0 3.0
   57    54    63    58  -0.03700  1.0 1.0
   57    54    63    58   0.37200 -1.0 2.0
   57    54    63    58  -0.47300  1.0 3.0
   57    54    63    64   0.43200  1.0 3.0
   57    54    63    66   1.13150  1.0 1.0
   57    54    63    66  -1.01400 -1.0 2.0
   57    61    65    68   3.62500 -1.0 2.0
   57    61    65    83   3.62500 -1.0 2.0
   57    71    76    77   0.00000  1.0 1.0
   57    71    76    78   0.00000  1.0 1.0
   57    71    76    55  -0.46400 -1.0 2.0
   61    57    71    69   3.62500 -1.0 2.0
   61    57    71    76   3.62500 -1.0 2.0
   61    65   -68    69   3.62500 -1.0 2.0
   61    65    68    70   3.62500 -1.0 2.0
   61    65    83    73   1.63200 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   62    61    65    83   3.62500 -1.0 2.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    69    72   3.62500 -1.0 2.0
   65    68   -70    73   1.63200 -1.0 2.0
   68    65   -83    73   1.63200 -1.0 2.0
   68    69   -71    57   3.62500 -1.0 2.0
   68    69    71    76   3.62500 -1.0 2.0
   68    69    72    79   1.63200 -1.0 2.0
   68    70    73    74   0.08050  1.0 3.0
   68    70    73    75   0.08050  1.0 3.0
   68    70   -73    83  -0.25600  1.0 1.0
   68    70   -73    83  -0.40050 -1.0 2.0
   68    70   -73    83   0.34700  1.0 3.0
   69    68    70    73   1.63200 -1.0 2.0
   69    71    76    77   0.00000  1.0 1.0
   69    71    76    78   0.00000  1.0 1.0
   69    71    76    55  -0.46400 -1.0 2.0
   69    72    79    80   0.08050  1.0 3.0
   69    72    79    81   0.08050  1.0 3.0
   69    72    79    82   0.08050  1.0 3.0
   71    57    61    62   3.62500 -1.0 2.0
   71    57   -61    65   3.62500 -1.0 2.0
   71    69    72    79   1.63200 -1.0 2.0
   71    76   -55    48   0.03550  1.0 1.0
   71    76   -55    48   0.09800 -1.0 2.0
   71    76    55    56   0.17350  1.0 3.0
   71    76    55    58   0.03550  1.0 1.0
   71    76    55    58   0.09800 -1.0 2.0
   76    55    58    59   0.15000  1.0 3.0
   76    55    58    60   0.15000  1.0 3.0
   76    55    58    63   0.47100  1.0 1.0
   77    76    55    48   0.15000  1.0 3.0
   77    76    55    56   0.13050  1.0 3.0
   77    76    55    58   0.15000  1.0 3.0
   78    76    55    48   0.15000  1.0 3.0
   78    76    55    56   0.13050  1.0 3.0
   78    76    55    58   0.15000  1.0 3.0
   55    48    54    33   1.36600  1.0 1.0
   55    48    54    33  -0.11450 -1.0 2.0
   55    48    54    33   0.24250  1.0 3.0
   55    48   -54    57   1.24050  1.0 1.0
   55    48   -54    57   0.48100 -1.0 2.0
   55    48   -54    57   1.08150  1.0 3.0
   55    48   -54    63   1.36600  1.0 1.0
   55    48   -54    63  -0.11450 -1.0 2.0
   55    48   -54    63   0.24250  1.0 3.0
   55    58   -63    54   1.36600  1.0 1.0
   55    58   -63    54  -0.11450 -1.0 2.0
   55    58   -63    54   0.24250  1.0 3.0
   55    58    63    64   0.19200  1.0 3.0
   55    58    63    66   1.69300  1.0 1.0
   55    58    63    66  -0.48450 -1.0 2.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.13050  1.0 3.0
   56    55    58    63   0.17350  1.0 3.0
   58    63    66    67  -0.11600  1.0 1.0
   58    63    66    67  -0.09450 -1.0 2.0
   58    63    66    67   0.21250  1.0 3.0
   59    58    63    54   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    66   0.23400  1.0 3.0
   60    58    63    54   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    66   0.23400  1.0 3.0
   63    54    57    61   0.04150 -1.0 2.0
   63    54    57    71   0.04150 -1.0 2.0
   64    63    66    67   0.19450  1.0 3.0
   72    69    71    57   3.62500 -1.0 2.0
   72    69    71    76   3.62500 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    73   -83    65  -0.25600  1.0 1.0
   70    73   -83    65  -0.40050 -1.0 2.0
   70    73   -83    65   0.34700  1.0 3.0
   74    73    83    65   0.08050  1.0 3.0
   75    73    83    65   0.08050  1.0 3.0
   83    65    68    69   3.62500 -1.0 2.0
   83    65   -68    70   3.62500 -1.0 2.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    48   0.62750  1.0 1.0
   47    40    44    48  -0.30950 -1.0 2.0
   47    40    44    48   0.27300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    47   3.69350  1.0 1.0
   42    38    40    47  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   61    71    57    54   4.00000 -1.0 2.0
   65    62    61    57   1.10000 -1.0 2.0
   68    83    65    61   4.00000 -1.0 2.0
   69    70    68    65   4.00000 -1.0 2.0
   71    72    69    68   4.00000 -1.0 2.0
   69    76    71    57   4.00000 -1.0 2.0
END
