* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    173    263     514
    1     0 S   NP   _N1_     1    28.49926    95.87793   -22.16519
    2     1 S   H    _HN1     2     1.02953    76.90676    34.38820
    3     1 S   H    _H1_     3     1.02826    39.53338   173.45890
    4     1 S   H    _H2_     4     1.02778    94.36402   -73.45672
    5     1 S   CT   _CA1     5     1.50109   147.14648   141.78746
    6     5 S   HC   _HA1     6     1.09584   105.18553    80.01195
    7     5 S   CO3  _C1_     7     1.53779   112.44957   -40.04932
    8     7 S   O2Z  _O11     8     1.26355   115.00736   -43.49913
    9     7 S   O2Z  _O12     9     1.26243   114.91833   135.55771
   10     5 S   CT   _CB1    10     1.53092   107.40176  -162.20636
   11    10 S   HC   HB11    11     1.09821   109.24600   -51.67993
   12    10 S   HC   HB12    12     1.09812   110.49632    64.90771
   13    10 S   CT   _CG1    13     1.52921   112.56448  -172.80085
   14    13 S   HC   HG11    14     1.09591   110.29583   -66.66458
   15    13 S   HC   HG12    15     1.09667   109.94219    52.51817
   16    13 S   C    _CD1    16     1.51787   112.52559   172.98474
   17    16 S   O    _OE1    17     1.22711   123.35420     1.92803
   18    16 S   N    _N2_    18     1.38624   111.51425  -178.03985
   19    18 S   H    _HN2    19     1.01548   118.93210     1.48530
   20    18 S   CT1  _CA2    20     1.46184   123.56488   179.09475
   21    20 S   HC   _HA2    21     1.09728   109.43445    -5.52425
   22    20 S   C    _C2_    22     1.53430   108.37227  -121.10627
   23    22 S   O    _O2_    23     1.23040   122.36331  -147.87722
   24    20 S   CT   _CB2    32     1.53327   111.33965   116.64507
   25    24 S   HC   HB21    33     1.09585   109.78064    55.25214
   26    24 S   HC   HB22    34     1.09441   110.31283   174.28272
   27    22 S   N    _N3_    24     1.38356   113.53796    39.56185
   28    27 S   H    _HN3    25     1.01630   119.49747    -3.55540
   29    24 S   S    _SG2    35     1.82753   111.27751   -65.92839
   30    27 S   CT   _CA3    26     1.45279   123.13895   177.05629
   31    30 S   HC   HA31    27     1.09552   107.53010   -63.76285
   32    30 S   HC   HA32    28     1.09559   107.94096    52.64268
   33    29 S   CT   _C11    36     1.84536    99.99431   161.56205
   34    33 S   HC   _H3_    37     1.09466   105.25727   -45.11200
   35    30 S   CO3  _C3_    29     1.52936   114.14225   174.62036
   36    35 S   O2Z  _O31    30     1.26363   116.06892    -0.77304
   37    35 S   O2Z  _O32    31     1.26432   114.40511   179.28099
   38    33 S   CT   _C12    38     1.55106   111.92229    72.60614
   39    38 S   HC   _H4_    39     1.09965   108.35717   -45.49087
   40    33 S   CT   _C10    72     1.53812   108.07850  -160.58912
   41    40 S   HC   _H18    73     1.09524   111.68859  -166.11308
   42    40 S   HC   _H19    74     1.09702   112.18967   -47.34833
   43    38 S   CT   _C16    40     1.54956   112.94670  -164.70813
   44    43 S   HC   _H6_    41     1.09476   111.09072   -45.86567
   45    40 S   CO4  _C9_    75     1.52021   111.85614    74.83644
   46    45 S   O    _O33    76     1.23081   121.09428  -101.71743
   47    43 S   CO4  _C15    42     1.51972   100.92803  -159.62239
   48    47 S   O    _O34    43     1.22482   124.59646  -165.32384
   49    43 S   CT   _C17    51     1.53183   112.55765    79.91693
   50    49 S   HC   _H22    52     1.09592   109.99868   -42.78083
   51    49 S   HC   _H23    53     1.09738   110.13394    74.71000
   52    45 S   CT   _C8_    77     1.51985   116.79986    80.08859
   53    52 S   HC   _H16    78     1.09585   106.82970    91.38642
   54    52 S   HC   _H17    79     1.09522   109.65782   -24.71505
   55    47 S   CT   _C14    44     1.50432   112.48894    15.05510
   56    55 S   HC   _H20    45     1.09290   110.93791   128.45989
   57    55 S   HC   _H21    46     1.09406   109.75309  -109.80411
   58    49 S   CT   _C18    54     1.53270   112.23444  -163.21161
   59    58 S   HC   _H24    55     1.09532   110.28047   -59.82078
   60    58 S   HC   _H25    56     1.09692   109.41452    57.76915
   61    52 S   CT   _C7_    80     1.52664   113.12666  -147.64319
   62    61 S   HC   _H14    81     1.09697   108.27736  -168.63362
   63    61 S   HC   _H15    82     1.09655   110.43231   -51.94422
   64    38 S   CT   _C13    47     1.53934   115.92459    76.03595
   65    64 S   HC   _H5_    48     1.09520   111.98504    46.37832
   66    58 S   CT   _C19    57     1.53021   111.20116   178.73638
   67    66 S   HC   _H26    58     1.09679   109.55277    58.94116
   68    66 S   HC   _H27    59     1.09684   109.57820   -58.36447
   69    61 S   CT   _C6_    83     1.53214   112.39214    70.94772
   70    69 S   HC   _H12    84     1.09624   110.06637   -61.97120
   71    69 S   HC   _H13    85     1.09687   109.54758    55.57399
   72    64 S   OH   _O37    49     1.41624   110.93560   -75.71894
   73    72 S   HO   _H34    50     0.97249   107.65381  -176.74093
   74    66 S   CT   _C20    60     1.52957   111.32721  -179.69353
   75    74 S   HC   _H28    61     1.09682   109.55635    58.54066
   76    74 S   HC   _H29    62     1.09681   109.56092   -58.74795
   77    69 S   CT   _C5_    86     1.52896   111.03812   176.68182
   78    77 S   HC   _H10    87     1.09627   109.85270   -56.93146
   79    77 S   HC   _H11    88     1.09595   109.76014    60.67682
   80    74 S   CT   _C21    63     1.52966   111.32441   179.88809
   81    80 S   HC   _H30    64     1.09702   109.54122   -58.47489
   82    80 S   HC   _H31    65     1.09702   109.54605    58.46617
   83    77 S   CT   _C4_    89     1.51992   111.71373  -177.94834
   84    83 S   HC   _H7_    90     1.09325   111.11039   -60.59167
   85    83 S   HC   _H8_    91     1.09464   111.01384    59.97025
   86    83 S   HC   _H9_    92     1.09448   110.23741   179.72164
   87    80 S   CT   _C22    66     1.52537   111.40977   179.97202
   88    87 S   HC   _H32    67     1.09714   109.44222   -58.65624
   89    87 S   HC   _H33    68     1.09714   109.44740    58.64918
   90    87 S   CO3  _C23    69     1.53213   115.25705   180.00000
   91    90 S   O2Z  _O36    70     1.26529   114.02378   179.85463
   92    90 S   O2Z  _O35    71     1.26134   116.68478    -0.15451
  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
  17   8   2   1   1  20   9  10   4   3  16   8   8   4  11   5
  11   5   4   9   5   4   6   4   3   9   5   4   9   5   4   3
   2   9   5   4   9   5   4   1   1   9   5   4   6   5   4   8
   5   4   3   2   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    64    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    55    64    65    72    49    40    41    42    45    46    52  
   38    39    43    64    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    55    56    57    64    65    72    73    49    50    51    58    40    41    42    45  
   43    44    47    55    64    65    72    49    40  
   41    42    45    46    52    53    54    61    43    64  
   42    45    46    52  
   45    46    52  
   44    47    48    55    56    57    64    65    72    49    50    51    58    59    60    66  
   47    48    55    64    49    50    51    58  
   46    52    53    54    61    62    63    69  
   52    53    54    61  
   48    55    56    57    64    65    72    49    50    51    58  
   55    56    57    64    49  
   50    51    58    59    60    66    67    68    74    55    64  
   51    58    59    60    66  
   58    59    60    66  
   53    54    61    62    63    69    70    71    77  
   54    61    62    63    69  
   61    62    63    69  
   56    57    64    65    72    73  
   57    64    65    72  
   64    65    72  
   59    60    66    67    68    74    75    76    80  
   60    66    67    68    74  
   66    67    68    74  
   62    63    69    70    71    77    78    79    83  
   63    69    70    71    77  
   69    70    71    77  
   65    72    73  
   72    73  
   67    68    74    75    76    80    81    82    87  
   68    74    75    76    80  
   74    75    76    80  
   70    71    77    78    79    83    84    85    86  
   71    77    78    79    83  
   77    78    79    83  
   73  
    0  
   75    76    80    81    82    87    88    89    90  
   76    80    81    82    87  
   80    81    82    87  
   78    79    83    84    85    86  
   79    83    84    85    86  
   83    84    85    86  
   81    82    87    88    89    90    91    92  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    64   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.522
   43    49   268.000  1.529
   47    48   570.000  1.229
   47    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    72   320.000  1.410
   72    73   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   317.000  1.522
   90    91   656.000  1.250
   90    92   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    64    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    63.00000  111.10000
   38    43    49    58.35000  112.70000
   38    64    55    58.35000  112.70000
   38    64    65    37.50000  110.70000
   38    64    72    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    47    48    80.00000  120.40000
   43    47    55    70.00000  116.00000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    58    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    64    63.00000  111.10000
   55    47    48    80.00000  120.40000
   55    64    65    37.50000  110.70000
   55    64    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    38    39    37.50000  110.70000
   64    38    43    58.35000  112.70000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    72    73    55.00000  108.50000
   72    64    65    35.00000  109.50000
   49    43    44    37.50000  110.70000
   49    43    47    63.00000  111.10000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    74    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    80    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    87    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    70.00000  109.69300
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   87    90    91    70.00000  117.00000
   87    90    92    70.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   92    90    91    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    45    46    80.00000  120.40000
   40    45    52    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    61    63.00000  111.10000
   52    45    46    80.00000  120.40000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    69    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    77    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    83    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    64   0.44750  1.0 1.0
   29    33    38    64  -0.17800 -1.0 2.0
   29    33    38    64   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47  -0.95700  1.0 1.0
   33    38    43    47  -0.18200 -1.0 2.0
   33    38    43    47   0.29450  1.0 3.0
   33    38    43    49   0.56750  1.0 1.0
   33    38    43    49  -0.07550 -1.0 2.0
   33    38    43    49   0.20000  1.0 3.0
   33    38    64    55   0.56750  1.0 1.0
   33    38    64    55  -0.07550 -1.0 2.0
   33    38    64    55   0.20000  1.0 3.0
   33    38    64    65   0.15000  1.0 3.0
   33    38    64    72   0.86500  1.0 1.0
   33    38    64    72  -0.17500 -1.0 2.0
   33    38    64    72   0.20800  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    52   0.60050  1.0 1.0
   33    40    45    52   0.05600 -1.0 2.0
   33    40    45    52   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    64   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.95700  1.0 1.0
   38    33    40    45  -0.18200 -1.0 2.0
   38    33    40    45   0.29450  1.0 3.0
   38    43    47    48   0.30150 -1.0 2.0
   38    43   -47    55   0.60050  1.0 1.0
   38    43   -47    55   0.05600 -1.0 2.0
   38    43   -47    55   0.26150  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    51   0.15000  1.0 3.0
   38    43    49    58   0.56750  1.0 1.0
   38    43    49    58  -0.07550 -1.0 2.0
   38    43    49    58   0.20000  1.0 3.0
   38    64    72    73  -0.11600  1.0 1.0
   38    64    72    73  -0.09450 -1.0 2.0
   38    64    72    73   0.21250  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47  -0.11250  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    64    55   0.15000  1.0 3.0
   39    38    64    65   0.15000  1.0 3.0
   39    38    64    72   0.23400  1.0 3.0
   43    38   -64    55   0.56750  1.0 1.0
   43    38   -64    55  -0.07550 -1.0 2.0
   43    38   -64    55   0.20000  1.0 3.0
   43    38    64    65   0.15000  1.0 3.0
   43    38    64    72   0.86500  1.0 1.0
   43    38    64    72  -0.17500 -1.0 2.0
   43    38    64    72   0.20800  1.0 3.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    57   0.00000  1.0 1.0
   43    47   -55    64   0.60050  1.0 1.0
   43    47   -55    64   0.05600 -1.0 2.0
   43    47   -55    64   0.26150  1.0 3.0
   43    49    58    59   0.15000  1.0 3.0
   43    49    58    60   0.15000  1.0 3.0
   43    49    58    66   0.56750  1.0 1.0
   43    49    58    66  -0.07550 -1.0 2.0
   43    49    58    66   0.20000  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    55   0.00000  1.0 1.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    58   0.15000  1.0 3.0
   47    43    49    50  -0.11250  1.0 3.0
   47    43    49    51  -0.11250  1.0 3.0
   47    43    49    58  -0.95700  1.0 1.0
   47    43    49    58  -0.18200 -1.0 2.0
   47    43    49    58   0.29450  1.0 3.0
   47    55   -64    38  -0.95700  1.0 1.0
   47    55   -64    38  -0.18200 -1.0 2.0
   47    55   -64    38   0.29450  1.0 3.0
   47    55    64    65  -0.11250  1.0 3.0
   47    55    64    72  -0.09450  1.0 1.0
   47    55    64    72  -1.12950 -1.0 2.0
   47    55    64    72   0.54000  1.0 3.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    64   0.30150 -1.0 2.0
   55    64    72    73  -0.11600  1.0 1.0
   55    64    72    73  -0.09450 -1.0 2.0
   55    64    72    73   0.21250  1.0 3.0
   56    55    64    38   0.15000  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    72   0.23400  1.0 3.0
   57    55    64    38   0.15000  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    72   0.23400  1.0 3.0
   64    38    43    44   0.15000  1.0 3.0
   64    38   -43    47  -0.95700  1.0 1.0
   64    38   -43    47  -0.18200 -1.0 2.0
   64    38   -43    47   0.29450  1.0 3.0
   64    38    43    49   0.56750  1.0 1.0
   64    38    43    49  -0.07550 -1.0 2.0
   64    38    43    49   0.20000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   49    43    47    48   0.30150 -1.0 2.0
   49    43    47    55   0.60050  1.0 1.0
   49    43    47    55   0.05600 -1.0 2.0
   49    43    47    55   0.26150  1.0 3.0
   49    58    66    67   0.15000  1.0 3.0
   49    58    66    68   0.15000  1.0 3.0
   49    58    66    74   0.56750  1.0 1.0
   49    58    66    74  -0.07550 -1.0 2.0
   49    58    66    74   0.20000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    66   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    66   0.15000  1.0 3.0
   58    66    74    75   0.15000  1.0 3.0
   58    66    74    76   0.15000  1.0 3.0
   58    66    74    80   0.56750  1.0 1.0
   58    66    74    80  -0.07550 -1.0 2.0
   58    66    74    80   0.20000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    74   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    74   0.15000  1.0 3.0
   66    74    80    81   0.15000  1.0 3.0
   66    74    80    82   0.15000  1.0 3.0
   66    74    80    87   0.56750  1.0 1.0
   66    74    80    87  -0.07550 -1.0 2.0
   66    74    80    87   0.20000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    80   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    80   0.15000  1.0 3.0
   74    80    87    88   0.15000  1.0 3.0
   74    80    87    89   0.15000  1.0 3.0
   74    80    87    90  -1.63150  1.0 1.0
   74    80    87    90  -0.43550 -1.0 2.0
   74    80    87    90   0.24500  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    87   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    87   0.15000  1.0 3.0
   80    87    90    91   0.41150 -1.0 2.0
   80    87    90    92   0.41150 -1.0 2.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    90  -0.11250  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    90  -0.11250  1.0 3.0
   88    87    90    91   0.00000  1.0 1.0
   88    87    90    92   0.00000  1.0 1.0
   89    87    90    91   0.00000  1.0 1.0
   89    87    90    92   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33    38    64   0.56750  1.0 1.0
   40    33    38    64  -0.07550 -1.0 2.0
   40    33    38    64   0.20000  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    61   0.60050  1.0 1.0
   40    45    52    61   0.05600 -1.0 2.0
   40    45    52    61   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    52   0.00000  1.0 1.0
   45    52    61    62  -0.11250  1.0 3.0
   45    52    61    63  -0.11250  1.0 3.0
   45    52    61    69  -0.95700  1.0 1.0
   45    52    61    69  -0.18200 -1.0 2.0
   45    52    61    69   0.29450  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    61   0.30150 -1.0 2.0
   52    61    69    70   0.15000  1.0 3.0
   52    61    69    71   0.15000  1.0 3.0
   52    61    69    77   0.56750  1.0 1.0
   52    61    69    77  -0.07550 -1.0 2.0
   52    61    69    77   0.20000  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   53    52    61    69   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    69   0.15000  1.0 3.0
   61    69    77    78   0.15000  1.0 3.0
   61    69    77    79   0.15000  1.0 3.0
   61    69    77    83   0.56750  1.0 1.0
   61    69    77    83  -0.07550 -1.0 2.0
   61    69    77    83   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    77   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    77   0.15000  1.0 3.0
   69    77    83    84   0.15000  1.0 3.0
   69    77    83    85   0.15000  1.0 3.0
   69    77    83    86   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    83   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    83   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  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
   43    55    47    48  10.50000 -1.0 2.0
   91    87    90    92  10.50000 -1.0 2.0
   40    52    45    46  10.50000 -1.0 2.0
END
