* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    162    278     487
    1     0 S   NP   _N1_     1    28.95990    94.30632   -23.53738
    2     1 S   H    _HN1     2     1.02842    26.26667  -179.19327
    3     1 S   H    _H1_     3     1.02777   106.38772   -81.92569
    4     1 S   H    _H2_     4     1.02959    83.12319    25.23052
    5     1 S   CT   _CA1     5     1.50109   131.28539   136.45312
    6     5 S   HC   _HA1     6     1.09575   105.24158    78.45484
    7     5 S   CO3  _C1_     7     1.53782   112.36848   -41.79061
    8     7 S   O2Z  _O11     8     1.26359   114.99247   -44.52880
    9     7 S   O2Z  _O12     9     1.26235   114.91685   134.69339
   10     5 S   CT   _CB1    10     1.53114   107.46698  -163.61416
   11    10 S   HC   HB11    11     1.09826   109.36052   -50.77312
   12    10 S   HC   HB12    12     1.09820   110.42144    65.78405
   13    10 S   CT   _CG1    13     1.53031   112.65027  -171.85927
   14    13 S   HC   HG11    14     1.09594   110.46571   -63.60510
   15    13 S   HC   HG12    15     1.09652   109.96605    55.61941
   16    13 S   C    _CD1    16     1.51803   112.31587   176.01341
   17    16 S   O    _OE1    17     1.22723   123.26479    -0.88093
   18    16 S   N    _N2_    18     1.38602   111.71724   179.14408
   19    18 S   H    _HN2    19     1.01616   118.98677     0.49059
   20    18 S   CT1  _CA2    20     1.46051   123.37509   180.00000
   21    20 S   HC   _HA2    21     1.09547   109.14460   -14.15002
   22    20 S   C    _C2_    22     1.53309   108.56037  -128.82207
   23    22 S   O    _O2_    23     1.23003   122.28591  -144.85804
   24    20 S   CT   _CB2    32     1.53334   111.66569   108.51679
   25    24 S   HC   HB21    33     1.09675   109.41148    55.65099
   26    24 S   HC   HB22    34     1.09443   111.40185   172.61350
   27    22 S   N    _N3_    24     1.38524   113.20681    43.20594
   28    27 S   H    _HN3    25     1.01503   119.02304    -1.60450
   29    24 S   S    _SG2    35     1.83176   114.54112   -63.77863
   30    27 S   CT   _CA3    26     1.45401   123.03589   172.81179
   31    30 S   HC   HA31    27     1.09549   108.74215    33.25567
   32    30 S   HC   HA32    28     1.09473   107.19913   150.36832
   33    29 S   CT   _C17    36     1.84863   101.24646   -68.10949
   34    33 S   HC   _H8_    37     1.08648   105.12693    56.32880
   35    30 S   CO3  _C3_    29     1.53088   113.77639   -89.56425
   36    35 S   O2Z  _O31    30     1.26364   115.92410   -28.43071
   37    35 S   O2Z  _O32    31     1.26426   114.59180   152.36801
   38    33 S   CT   _C16    38     1.53621   110.88718   -60.47789
   39    38 S   HC   _H23    39     1.09639   112.08368   -33.51005
   40    38 S   HC   _H24    40     1.09555   110.29556    86.49703
   41    33 S   CT   _C18    75     1.54043   109.56899   172.85194
   42    41 S   HC   _H9_    76     1.09681   110.75624   -55.09895
   43    38 S   NP   _N4_    41     1.50836   113.75564  -152.15890
   44    43 S   H    _H7_    42     1.02935   104.93304    87.35654
   45    41 S   OH   _O33    77     1.42460   108.40298    61.57628
   46    45 S   HO   _H25    78     0.97384   107.27049   -61.22558
   47    43 S   CT   _C15    43     1.51751   115.32109  -156.28645
   48    47 S   HC   _H21    44     1.09564   106.92348   -44.61393
   49    47 S   HC   _H22    45     1.09439   107.04275  -159.19105
   50    47 S   CT   _C14    46     1.53112   114.04914    78.47220
   51    50 S   HC   _H19    47     1.09731   109.06774   -74.64300
   52    50 S   HC   _H20    48     1.09621   109.15198   169.86368
   53    50 S   CT   _C13    49     1.53354   113.95328    47.36870
   54    53 S   HC   _H17    50     1.09545   110.20077    68.72630
   55    53 S   HC   _H18    51     1.09580   109.37126  -173.53504
   56    53 S   CT   _C12    52     1.52141   107.69794   -53.27680
   57    56 S   HC   _H6_    53     1.09836   105.74834   -54.44360
   58    56 S   CT   _C11    54     1.53769   116.55397  -168.72387
   59    58 S   HC   _H5_    55     1.09501   110.96211    52.88567
   60    58 S   CT   _C10    56     1.51883   109.67234   175.83064
   61    60 S   HC   _H15    57     1.08626   114.38899   -48.83349
   62    60 S   HC   _H16    58     1.09887   109.92653  -169.39481
   63    60 S   CT   _C9_    59     1.51641    99.23131    75.35258
   64    63 S   HC   _H4_    60     1.09422   111.74824   161.53584
   65    63 S   CO4  _C19    61     1.52058    96.03316    47.23531
   66    65 S   O    _O35    62     1.21985   126.57965   146.57525
   67    63 S   C4T  _C8_    64     1.57800   111.88386   -72.23631
   68    58 S   OS   _O34    63     1.42845   113.17673   -70.20377
   69    67 S   C4T  _C5_    65     1.59988   109.85307   147.53129
   70    69 S   HC   _H3_    66     1.09821   112.16787    16.97842
   71    43 S   C4T  _C7_    70     1.51369   112.28259   -30.23918
   72    69 S   C4T  _C6_    67     1.54575    88.53000   -96.63809
   73    72 S   HC   _H13    68     1.09402   114.32109   102.59621
   74    72 S   HC   _H14    69     1.09531   114.26689  -136.09445
   75    69 S   CT   _C4_    71     1.52585   127.07146   145.46044
   76    75 S   HC   _H10    72     1.09260   112.94011    52.46629
   77    75 S   HC   _H11    73     1.09465   110.71320   -69.87814
   78    75 S   HC   _H12    74     1.09604   110.05052   172.10062
  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
  15   8   2   1   1  15   6   5  15   6  18   8   5   1  12   6
   5   9   5   4  11   5   4  15   7  12   7  10   6   5  10   6
   5   2  11   1   9   8   4   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    67    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    63    67    69    71    41    42    45    46  
   38    39    40    43    67    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    47    48    49    50    56    67    72    71    41    42    45  
   40    43    44    47    71    41  
   43    44    47    71    41  
   42    45    46    43    56    60    63    64    65    67    69    70    71    72    75  
   45    46    63    67    69    71  
   44    47    48    49    50    51    52    53    56    57    58    63    67    69    72    73    74    71  
   47    48    49    50    56    67    72    71  
   46    63    67    69    71  
   67  
   48    49    50    51    52    53    54    55    56    67    72    71  
   49    50    51    52    53    71  
   50    51    52    53    71  
   51    52    53    54    55    56    57    58    71  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    59    60    68    67    72    71  
   55    56    57    58    71  
   56    57    58    71  
   57    58    59    60    61    62    63    65    68    67    69    72    73    74    71  
   58    59    60    68    67    72    71  
   59    60    61    62    63    64    65    66    68    67    72    71  
   60    61    62    63    65    68    71  
   61    62    63    64    65    66    68    67    69    71  
   62    63    64    65    68    67  
   63    64    65    68    67  
   64    65    66    68    67    69    70    72    71    75  
   65    66    68    67    69    71  
   66    68    67    69    71  
   68    67  
   69    70    72    73    74    71    75    76    77    78    68  
   71  
   70    72    73    74    71    75    76    77    78  
   72    73    74    71    75    76    77    78  
   75    72    73    74  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   367.000  1.471
   43    44   434.000  1.010
   43    47   367.000  1.471
   43    71   367.000  1.471
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    71   260.000  1.519
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    68   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    67   260.000  1.519
   65    66   570.000  1.229
   65    68   214.000  1.327
   67    69   268.000  1.529
   67    71   268.000  1.529
   67    41   260.000  1.519
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    75   260.000  1.519
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    71   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   41    42   340.000  1.090
   41    45   320.000  1.410
   45    46   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    80.00000  111.20000
   33    41    67    70.00000  112.98000
   33    41    42    37.50000  110.70000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  109.50000
   38    43    47    75.00000  113.01200
   38    43    71    75.00000  113.01200
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    80.00000  111.20000
   43    71    56    80.00000  111.20000
   43    71    67    80.00000  111.20000
   43    71    72    80.00000  111.20000
   47    43    44    35.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    71    70.00000  112.98000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    58.35000  112.70000
   56    58    68    50.00000  109.50000
   56    71    67    65.00000  119.52000
   56    71    72    65.00000  119.52000
   58    56    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    58.35000  112.70000
   58    68    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    63.00000  111.10000
   60    63    67    70.00000  112.98000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    80.00000  120.40000
   63    65    68    81.00000  111.40000
   63    67    69    65.00000  119.52000
   63    67    71    65.00000  119.52000
   63    67    41    58.35000  112.70000
   65    63    64    35.00000  109.50000
   68    58    59    35.00000  109.50000
   68    58    60    50.00000  109.50000
   68    65    66    83.00000  123.40000
   67    63    64    45.00000  111.22300
   67    63    65    63.00000  111.10000
   67    69    70    37.50000  110.70000
   67    69    72    63.00000   92.00000
   67    69    75    65.00000  119.52000
   67    71    72    63.00000   92.00000
   67    41    42    45.00000  111.22300
   67    41    45    50.00000  109.50000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    71    63.00000   92.00000
   69    75    76    45.00000  111.22300
   69    75    77    45.00000  111.22300
   69    75    78    45.00000  111.22300
   72    69    70    37.50000  110.70000
   74    72    73    33.00000  107.80000
   71    43    44    35.00000  109.50000
   71    43    47    75.00000  113.01200
   71    56    57    45.00000  111.22300
   71    56    58    70.00000  112.98000
   71    67    69    63.00000   92.00000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   75    69    70    45.00000  112.72800
   75    69    72    65.00000  119.52000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    67    69    65.00000  119.52000
   41    67    71    65.00000  119.52000
   41    45    46    55.00000  108.50000
   45    41    42    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    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    67   0.44750  1.0 1.0
   29    33    41    67  -0.17800 -1.0 2.0
   29    33    41    67   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.17350  1.0 3.0
   33    38    43    47   0.47100  1.0 1.0
   33    38    43    71   0.47100  1.0 1.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  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    43   0.19200  1.0 3.0
   34    33    41    67   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33    41    67   0.31550 -1.0 2.0
   38    33    41    67   0.11250  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43    47    49   0.15000  1.0 3.0
   38    43    47    50   0.47100  1.0 1.0
   38    43    71    56   0.47100  1.0 1.0
   38    43   -71    67   0.47100  1.0 1.0
   38    43    71    72   0.47100  1.0 1.0
   39    38    43    44   0.13050  1.0 3.0
   39    38    43    47   0.15000  1.0 3.0
   39    38    43    71   0.15000  1.0 3.0
   40    38    43    44   0.13050  1.0 3.0
   40    38    43    47   0.15000  1.0 3.0
   40    38    43    71   0.15000  1.0 3.0
   43    47    50    51   0.19200  1.0 3.0
   43    47    50    52   0.19200  1.0 3.0
   43    47    50    53   1.36600  1.0 1.0
   43    47    50    53  -0.11450 -1.0 2.0
   43    47    50    53   0.24250  1.0 3.0
   44    43    47    48   0.13050  1.0 3.0
   44    43    47    49   0.13050  1.0 3.0
   44    43    47    50   0.17350  1.0 3.0
   44    43    71    56   0.17350  1.0 3.0
   44    43    71    67   0.17350  1.0 3.0
   44    43    71    72   0.17350  1.0 3.0
   47    43    71    56   0.47100  1.0 1.0
   47    43    71    67   0.47100  1.0 1.0
   47    43    71    72   0.47100  1.0 1.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50   -53    56   0.56750  1.0 1.0
   47    50   -53    56  -0.07550 -1.0 2.0
   47    50   -53    56   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.56750  1.0 1.0
   50    53    56    58  -0.07550 -1.0 2.0
   50    53    56    58   0.20000  1.0 3.0
   50    53    56    71   0.31550 -1.0 2.0
   50    53    56    71   0.11250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    60   0.56750  1.0 1.0
   53    56    58    60  -0.07550 -1.0 2.0
   53    56    58    60   0.20000  1.0 3.0
   53    56    58    68   0.62750  1.0 1.0
   53    56    58    68  -0.30950 -1.0 2.0
   53    56    58    68   0.27300  1.0 3.0
   53    56   -71    43   1.36600  1.0 1.0
   53    56   -71    43  -0.11450 -1.0 2.0
   53    56   -71    43   0.24250  1.0 3.0
   53    56    71    67   0.04050  1.0 1.0
   53    56    71    67   0.63700 -1.0 2.0
   53    56    71    67   0.17650  1.0 3.0
   53    56    71    72   0.04050  1.0 1.0
   53    56    71    72   0.63700 -1.0 2.0
   53    56    71    72   0.17650  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    71   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    71   0.15000  1.0 3.0
   56    58    60    61   0.15000  1.0 3.0
   56    58    60    62   0.15000  1.0 3.0
   56    58    60    63   0.56750  1.0 1.0
   56    58    60    63  -0.07550 -1.0 2.0
   56    58    60    63   0.20000  1.0 3.0
   56    58    68    65  -0.25900  1.0 1.0
   56    58    68    65  -0.47000 -1.0 2.0
   56    58    68    65   0.11750  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    68   0.23400  1.0 3.0
   57    56    71    43   0.19200  1.0 3.0
   57    56    71    67   0.00000  1.0 1.0
   57    56    71    72   0.00000  1.0 1.0
   58    56    71    43   1.36600  1.0 1.0
   58    56    71    43  -0.11450 -1.0 2.0
   58    56    71    43   0.24250  1.0 3.0
   58    56    71    67   0.04050  1.0 1.0
   58    56    71    67   0.63700 -1.0 2.0
   58    56    71    67   0.17650  1.0 3.0
   58    56    71    72   0.04050  1.0 1.0
   58    56    71    72   0.63700 -1.0 2.0
   58    56    71    72   0.17650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60   -63    65  -0.95700  1.0 1.0
   58    60   -63    65  -0.18200 -1.0 2.0
   58    60   -63    65   0.29450  1.0 3.0
   58    60   -63    67   0.31550 -1.0 2.0
   58    60   -63    67   0.11250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    68    65   0.08050  1.0 3.0
   60    58   -68    65  -0.25900  1.0 1.0
   60    58   -68    65  -0.47000 -1.0 2.0
   60    58   -68    65   0.11750  1.0 3.0
   60    63    65    66   0.30150 -1.0 2.0
   60    63   -65    68   0.36750  1.0 3.0
   60    63    67    69   0.04050  1.0 1.0
   60    63    67    69   0.63700 -1.0 2.0
   60    63    67    69   0.17650  1.0 3.0
   60    63    67    71   0.04050  1.0 1.0
   60    63    67    71   0.63700 -1.0 2.0
   60    63    67    71   0.17650  1.0 3.0
   60    63    67    41   0.56750  1.0 1.0
   60    63    67    41  -0.07550 -1.0 2.0
   60    63    67    41   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65  -0.11250  1.0 3.0
   61    60    63    67   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65  -0.11250  1.0 3.0
   62    60    63    67   0.15000  1.0 3.0
   63    65   -68    58   1.63150  1.0 1.0
   63    65   -68    58   2.92000 -1.0 2.0
   63    67    69    70   0.15000  1.0 3.0
   63    67    69    72  -0.70950  1.0 1.0
   63    67    69    72   0.38400 -1.0 2.0
   63    67    69    75   0.56750  1.0 1.0
   63    67    69    75  -0.07550 -1.0 2.0
   63    67    69    75   0.20000  1.0 3.0
   63    67    71    43   1.36600  1.0 1.0
   63    67    71    43  -0.11450 -1.0 2.0
   63    67    71    43   0.24250  1.0 3.0
   63    67   -71    56   0.56750  1.0 1.0
   63    67   -71    56  -0.07550 -1.0 2.0
   63    67   -71    56   0.20000  1.0 3.0
   63    67   -71    72  -0.70950  1.0 1.0
   63    67   -71    72   0.38400 -1.0 2.0
   63    67    41    33   0.56750  1.0 1.0
   63    67    41    33  -0.07550 -1.0 2.0
   63    67    41    33   0.20000  1.0 3.0
   63    67    41    42   0.15000  1.0 3.0
   63    67    41    45   0.86500  1.0 1.0
   63    67    41    45  -0.17500 -1.0 2.0
   63    67    41    45   0.20800  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    68   0.00000  1.0 1.0
   64    63    67    69   0.00000  1.0 1.0
   64    63    67    71   0.00000  1.0 1.0
   64    63    67    41   0.15000  1.0 3.0
   65    63    67    69  -0.95700  1.0 1.0
   65    63    67    69  -0.18200 -1.0 2.0
   65    63    67    69   0.29450  1.0 3.0
   65    63    67    71  -0.95700  1.0 1.0
   65    63    67    71  -0.18200 -1.0 2.0
   65    63    67    71   0.29450  1.0 3.0
   65    63    67    41  -0.95700  1.0 1.0
   65    63    67    41  -0.18200 -1.0 2.0
   65    63    67    41   0.29450  1.0 3.0
   66    65    68    58   3.00000 -1.0 2.0
   68    58    60    61   0.23400  1.0 3.0
   68    58    60    62   0.23400  1.0 3.0
   68    58   -60    63   0.62750  1.0 1.0
   68    58   -60    63  -0.30950 -1.0 2.0
   68    58   -60    63   0.27300  1.0 3.0
   67    63    65    66   0.30150 -1.0 2.0
   67    63    65    68   0.36750  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69    72    74   0.15000  1.0 3.0
   67    69   -72    71   0.00000  1.0 1.0
   67    69    75    76   0.00000  1.0 1.0
   67    69    75    77   0.00000  1.0 1.0
   67    69    75    78   0.00000  1.0 1.0
   67    41    45    46  -0.11600  1.0 1.0
   67    41    45    46  -0.09450 -1.0 2.0
   67    41    45    46   0.21250  1.0 3.0
   69    67    71    43   1.36600  1.0 1.0
   69    67    71    43  -0.11450 -1.0 2.0
   69    67    71    43   0.24250  1.0 3.0
   69    67    71    56  -0.70950  1.0 1.0
   69    67    71    56   0.38400 -1.0 2.0
   69    67   -71    72   0.00000  1.0 1.0
   69    67    41    33   0.04050  1.0 1.0
   69    67    41    33   0.63700 -1.0 2.0
   69    67    41    33   0.17650  1.0 3.0
   69    67    41    42   0.00000  1.0 1.0
   69    67    41    45   0.86500  1.0 1.0
   69    67    41    45  -0.17500 -1.0 2.0
   69    67    41    45   0.20800  1.0 3.0
   69    72   -71    43   1.36600  1.0 1.0
   69    72   -71    43  -0.11450 -1.0 2.0
   69    72   -71    43   0.24250  1.0 3.0
   69    72   -71    56  -0.70950  1.0 1.0
   69    72   -71    56   0.38400 -1.0 2.0
   69    72   -71    67   0.00000  1.0 1.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    71   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   72    69    75    76   0.00000  1.0 1.0
   72    69    75    77   0.00000  1.0 1.0
   72    69    75    78   0.00000  1.0 1.0
   73    72    71    43   0.19200  1.0 3.0
   73    72    71    56   0.15000  1.0 3.0
   73    72   -71    67   0.15000  1.0 3.0
   74    72    71    43   0.19200  1.0 3.0
   74    72    71    56   0.15000  1.0 3.0
   74    72   -71    67   0.15000  1.0 3.0
   71    43    47    48   0.15000  1.0 3.0
   71    43    47    49   0.15000  1.0 3.0
   71    43   -47    50   0.47100  1.0 1.0
   71    56    58    59   0.15000  1.0 3.0
   71    56   -58    60   0.31550 -1.0 2.0
   71    56   -58    60   0.11250  1.0 3.0
   71    56    58    68   0.62750  1.0 1.0
   71    56    58    68  -0.30950 -1.0 2.0
   71    56    58    68   0.27300  1.0 3.0
   71    67   -69    70   0.15000  1.0 3.0
   71    67   -69    72   0.00000  1.0 1.0
   71    67    69    75  -0.70950  1.0 1.0
   71    67    69    75   0.38400 -1.0 2.0
   71    67   -41    33   0.04050  1.0 1.0
   71    67   -41    33   0.63700 -1.0 2.0
   71    67   -41    33   0.17650  1.0 3.0
   71    67    41    42   0.00000  1.0 1.0
   71    67    41    45   0.86500  1.0 1.0
   71    67    41    45  -0.17500 -1.0 2.0
   71    67    41    45   0.20800  1.0 3.0
   75    69    72    73   0.15000  1.0 3.0
   75    69    72    74   0.15000  1.0 3.0
   75    69   -72    71  -0.70950  1.0 1.0
   75    69   -72    71   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.36600  1.0 1.0
   41    33    38    43  -0.11450 -1.0 2.0
   41    33    38    43   0.24250  1.0 3.0
   41    67    69    70   0.15000  1.0 3.0
   41    67    69    72  -0.70950  1.0 1.0
   41    67    69    72   0.38400 -1.0 2.0
   41    67    69    75   0.56750  1.0 1.0
   41    67    69    75  -0.07550 -1.0 2.0
   41    67    69    75   0.20000  1.0 3.0
   41    67   -71    43   1.36600  1.0 1.0
   41    67   -71    43  -0.11450 -1.0 2.0
   41    67   -71    43   0.24250  1.0 3.0
   41    67    71    56   0.56750  1.0 1.0
   41    67    71    56  -0.07550 -1.0 2.0
   41    67    71    56   0.20000  1.0 3.0
   41    67   -71    72  -0.70950  1.0 1.0
   41    67   -71    72   0.38400 -1.0 2.0
   42    41    45    46   0.19450  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
   63    68    65    66  10.50000 -1.0 2.0
END
