* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    167    248     478
    1     0 S   NP   _N1_     1    29.01647    96.68346   -24.06157
    2     1 S   H    _HN1     2     1.02949    76.46807   -16.35756
    3     1 S   H    _H1_     3     1.02831    31.45250   150.53943
    4     1 S   H    _H2_     4     1.02792   111.95870  -120.92777
    5     1 S   CT   _CA1     5     1.50104   129.83523    89.14682
    6     5 S   HC   _HA1     6     1.09584   105.19000    88.56476
    7     5 S   CO3  _C1_     7     1.53784   112.37533   -31.53685
    8     7 S   O2Z  _O11     8     1.26351   115.03943   -46.22517
    9     7 S   O2Z  _O12     9     1.26249   114.92648   132.83095
   10     5 S   CT   _CB1    10     1.53093   107.40023  -153.66328
   11    10 S   HC   HB11    11     1.09827   109.28993   -51.33230
   12    10 S   HC   HB12    12     1.09808   110.52394    65.27047
   13    10 S   CT   _CG1    13     1.52931   112.52725  -172.36948
   14    13 S   HC   HG11    14     1.09577   110.43480   -66.59460
   15    13 S   HC   HG12    15     1.09674   109.84804    52.58766
   16    13 S   C    _CD1    16     1.51797   112.40872   173.11729
   17    16 S   O    _OE1    17     1.22718   123.33148     5.84301
   18    16 S   N    _N2_    18     1.38507   111.49745  -174.22939
   19    18 S   H    _HN2    19     1.01695   119.08537     1.86393
   20    18 S   CT1  _CA2    20     1.46055   123.89271   177.88141
   21    20 S   HC   _HA2    21     1.09740   109.27921    -0.29007
   22    20 S   C    _C2_    22     1.53593   108.71138  -115.61201
   23    22 S   O    _O2_    23     1.23064   122.31261  -151.24135
   24    20 S   CT   _CB2    32     1.53338   111.43953   121.78445
   25    24 S   HC   HB21    33     1.09507   110.39198    54.13444
   26    24 S   HC   HB22    34     1.09506   110.04381   173.50445
   27    22 S   N    _N3_    24     1.38370   113.71446    36.58402
   28    27 S   H    _HN3    25     1.01584   119.44646    -4.42766
   29    24 S   S    _SG2    35     1.82705   111.29047   -66.98703
   30    27 S   CT   _CA3    26     1.45263   123.23993   176.97884
   31    30 S   HC   HA31    27     1.09552   107.60162   -62.02304
   32    30 S   HC   HA32    28     1.09556   107.87200    54.39359
   33    29 S   CT   _C26    36     1.83626    99.51856  -176.75520
   34    33 S   HC   _H3_    37     1.09497   107.44970    23.66029
   35    30 S   CO3  _C3_    29     1.52958   114.09568   176.27895
   36    35 S   O2Z  _O31    30     1.26376   116.08130    -1.36759
   37    35 S   O2Z  _O32    31     1.26432   114.42183   178.66837
   38    33 S   CM   _C15    38     1.53371   110.74317   -97.88357
   39    33 S   CT   _C23    89     1.53150   108.76889   137.52891
   40    39 S   HC   _H49    90     1.09578   112.72623    57.69852
   41    39 S   HC   _H50    91     1.09631   110.85565   -63.07015
   42    39 S   HC   _H51    92     1.09584   110.50731   178.25561
   43    38 S   CMA  _C16    39     1.36788   122.46301   110.61896
   44    43 S   OM   _O25    40     1.26853   125.38231    -2.38474
   45    38 S   CT   _C22    85     1.52029   115.21999   -71.58385
   46    45 S   HC   _H46    86     1.09439   110.22406   -71.26611
   47    45 S   HC   _H47    87     1.09367   113.74156   168.05745
   48    45 S   HC   _H48    88     1.09420   111.04008    48.83986
   49    43 S   OS   _O30    41     1.41351   111.30859   174.36434
   50    49 S   CT   _C18    42     1.42640   118.36138   147.54060
   51    50 S   HC   _H38    43     1.09485   114.81051    22.86151
   52    50 S   CA   _C7_    44     1.48721   108.07290  -105.21671
   53    52 S   CA   _C8_    45     1.38635   109.45749   -96.27283
   54    53 S   CA   _C5_    46     1.38246   122.31065   175.80161
   55    54 S   HA   _H34    47     1.08431   121.20273  -179.28018
   56    53 S   OS   _O29    59     1.37116   113.38819    -3.58539
   57    54 S   CA   _C4_    48     1.39792   118.02201     1.16264
   58    57 S   HA   _H33    49     1.08762   119.03442   179.66023
   59    50 S   CT   _C19    60     1.55681   111.19132   148.47252
   60    59 S   HC   _H39    61     1.10213   108.15082  -162.08121
   61    57 S   CA   _C6_    50     1.40628   120.49746    -0.14671
   62    59 S   CT   _C27    62     1.55600   117.61644   -39.06513
   63    52 S   CA   _C9_    51     1.38130   130.90273    80.51718
   64    62 S   CT   _C24    63     1.53540   109.45788   -59.58388
   65    64 S   HC   _H52    64     1.09466   111.74238  -170.46131
   66    64 S   HC   _H53    65     1.09350   111.47282    70.82343
   67    64 S   HC   _H54    66     1.09526   111.27623   -50.75272
   68    62 S   CT   _C25    67     1.53752   109.45892   179.05664
   69    68 S   HC   _H55    68     1.09482   111.59815   175.10087
   70    68 S   HC   _H56    69     1.09555   111.24477   -66.46613
   71    68 S   HC   _H57    70     1.09514   111.33368    54.94766
   72    62 S   OS   _O33    71     1.45374   106.79446    61.01011
   73    63 S   OS   _O28    52     1.40362   119.05872     4.40580
   74    72 S   CO4  _C17    72     1.35352   122.62887  -175.25439
   75    74 S   O    _O27    73     1.22007   128.06955    -3.57572
   76    73 S   CO4  _C12    53     1.38913   121.23106   178.57742
   77    76 S   O    _O26    54     1.22644   122.16170  -178.79683
   78    74 S   CM   _C14    74     1.48299   107.78504   176.12374
   79    76 S   CM   _C11    55     1.47343   117.05705     1.53366
   80    79 S   HC   _H36    56     1.08437   117.21469   178.91124
   81    78 S   CM   _C13    75     1.34420   120.05203  -125.31750
   82    81 S   HC   _H37    76     1.08886   117.92362  -178.65797
   83    78 S   CT   _C21    81     1.49824   116.78571    55.72495
   84    83 S   HC   _H43    82     1.09481   110.76393   -67.50138
   85    83 S   HC   _H44    83     1.09501   110.36484    52.64336
   86    83 S   HC   _H45    84     1.09513   111.90786   172.37687
   87    61 S   CM   _C10    57     1.45320   121.72354   179.58883
   88    87 S   HC   _H35    58     1.08457   119.24739     0.70249
   89    81 S   CT   _C20    77     1.49584   127.82841     3.28873
   90    89 S   HC   _H40    78     1.09408   109.89684  -112.00052
   91    89 S   HC   _H41    79     1.09476   109.41271   129.45731
   92    89 S   HC   _H42    80     1.09268   113.51952     9.82043
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  14   7  13  11   8   4   8   7   3  13   4   7  12   6   9
   4   3   2   5   3   2   1   5   5   9   3   5   3  10   3   2
   9   5   4   2   1   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    59    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    63    56    59    60    62  
   51    52    53    54    61    63    73    56    59    60    62    64    68    72  
   52    53    63    56    59    60    62  
   53    54    55    57    61    63    73    76    87    56    59    60    62  
   54    55    57    58    61    63    73    56    59    60    62  
   55    57    58    61    63    87    56    59  
   57    58    61    56  
   59    60    62    64    68    72    57    63  
   58    61    63    73    79    87    88  
   61    63    87  
   60    62    64    65    66    67    68    69    70    71    72    74    63  
   62    64    68    72  
   63    73    76    79    80    87    88  
   64    65    66    67    68    69    70    71    72    74    75    78  
   73    76    77    79    87    88  
   65    66    67    68    69    70    71    72    74  
   66    67    68    72  
   67    68    72  
   68    72  
   69    70    71    72    74  
   70    71    72  
   71    72  
   72  
   74    75    78    81    83  
   76    77    79    80    87  
   75    78    81    82    89    83    84    85    86  
   78    81    83  
   77    79    80    87    88  
   79    80    87  
   81    82    89    90    91    92    83    84    85    86  
   80    87    88  
   87    88  
   82    89    90    91    92    83    84    85    86  
   89    90    91    92    83  
   84    85    86    89  
   85    86  
   86  
    0  
   88  
    0  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    59   268.000  1.529
   52    53   469.000  1.400
   52    63   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    63   469.000  1.400
   61    87   320.000  1.460
   63    73   450.000  1.364
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    79   320.000  1.462
   79    80   340.000  1.080
   79    87   549.000  1.340
   87    88   340.000  1.080
   56    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   62    64   268.000  1.529
   62    68   268.000  1.529
   62    72   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    78   320.000  1.462
   78    81   549.000  1.340
   78    83   317.000  1.510
   81    82   340.000  1.080
   81    89   317.000  1.510
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  111.85700
   49    50    59    50.00000  109.50000
   50    52    53    70.00000  120.00000
   50    52    63    70.00000  120.00000
   50    59    56    50.00000  109.50000
   50    59    60    37.50000  110.70000
   50    59    62    58.35000  112.70000
   52    50    51    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    56    70.00000  120.00000
   52    63    61    63.00000  120.00000
   52    63    73    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    75.00000  111.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    63    63.00000  120.00000
   57    61    87    60.00000  120.93500
   61    57    58    35.00000  120.00000
   61    63    73    70.00000  120.00000
   61    87    79    60.00000  123.20500
   61    87    88    40.00000  117.26300
   63    52    53    63.00000  120.00000
   63    73    76    85.00000  115.98000
   73    76    77    83.00000  123.40000
   73    76    79    90.00000  111.29400
   76    79    80    40.00000  117.72500
   76    79    87    65.00000  118.96000
   79    76    77    80.00000  123.72100
   79    87    88    35.00000  120.00000
   87    61    63    60.00000  120.93500
   87    79    80    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    62    50.00000  109.50000
   59    50    51    37.50000  110.70000
   59    50    52    70.00000  112.17500
   59    62    64    58.35000  112.70000
   59    62    68    58.35000  112.70000
   59    62    72    50.00000  109.50000
   62    59    60    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    37.50000  110.70000
   62    72    74    83.00000  116.90000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    62    64    50.00000  109.50000
   72    62    68    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    78    90.00000  111.29400
   74    78    81    65.00000  118.96000
   74    78    83    65.00000  116.34900
   78    74    75    80.00000  123.72100
   78    81    82    35.00000  120.00000
   78    81    89    70.00000  124.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   81    89    90    35.00000  109.50000
   81    89    91    35.00000  109.50000
   81    89    92    35.00000  109.50000
   89    81    82    35.00000  117.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   83    78    81    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    59  -0.46850  1.0 1.0
   43    49    50    59   0.09300 -1.0 2.0
   43    49    50    59  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.64500  1.0 1.0
   49    50    52    53   0.14800 -1.0 2.0
   49    50    52    53   0.20650  1.0 3.0
   49    50    52    63   0.64500  1.0 1.0
   49    50    52    63   0.14800 -1.0 2.0
   49    50    52    63   0.20650  1.0 3.0
   49    50    59    56   1.11900  1.0 1.0
   49    50    59    56  -1.16350 -1.0 2.0
   49    50    59    56  -0.34150  1.0 3.0
   49    50    59    60   0.23400  1.0 3.0
   49    50    59    62   0.62750  1.0 1.0
   49    50    59    62  -0.30950 -1.0 2.0
   49    50    59    62   0.27300  1.0 3.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    56   3.62500 -1.0 2.0
   50    52    63    61   3.62500 -1.0 2.0
   50    52    63    73   3.62500 -1.0 2.0
   50    59    62    64   0.56750  1.0 1.0
   50    59    62    64  -0.07550 -1.0 2.0
   50    59    62    64   0.20000  1.0 3.0
   50    59    62    68   0.56750  1.0 1.0
   50    59    62    68  -0.07550 -1.0 2.0
   50    59    62    68   0.20000  1.0 3.0
   50    59    62    72   0.62750  1.0 1.0
   50    59    62    72  -0.30950 -1.0 2.0
   50    59    62    72   0.27300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    63   0.00000  1.0 1.0
   51    50    59    56   0.23400  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    62   0.15000  1.0 3.0
   52    50   -59    56  -0.64350  1.0 1.0
   52    50   -59    56  -0.04200 -1.0 2.0
   52    50   -59    56   0.19800  1.0 3.0
   52    50    59    60   0.43200  1.0 3.0
   52    50    59    62  -0.03700  1.0 1.0
   52    50    59    62   0.37200 -1.0 2.0
   52    50    59    62  -0.47300  1.0 3.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53   -56    59   1.63200 -1.0 2.0
   52    63    73    76   0.01300  1.0 1.0
   52    63    73    76   0.97950 -1.0 2.0
   52    63    73    76  -0.55700  1.0 3.0
   53    52    63    61   3.62500 -1.0 2.0
   53    52    63    73   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    54   -57    61   3.62500 -1.0 2.0
   53    56   -59    50  -0.32850  1.0 1.0
   53    56   -59    50  -0.35800 -1.0 2.0
   53    56   -59    50   0.33950  1.0 3.0
   53    56    59    60   0.08050  1.0 3.0
   53    56    59    62  -0.32850  1.0 1.0
   53    56    59    62  -0.35800 -1.0 2.0
   53    56    59    62   0.33950  1.0 3.0
   54    53    56    59   1.63200 -1.0 2.0
   54    57    61    63   3.62500 -1.0 2.0
   54    57    61    87   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61   -63    52   3.62500 -1.0 2.0
   57    61    63    73   3.62500 -1.0 2.0
   57    61    87    79   0.15800  1.0 1.0
   57    61    87    79   1.85350 -1.0 2.0
   57    61    87    79  -0.48700  1.0 3.0
   57    61    87    88   0.56550  1.0 3.0
   58    57    61    63   3.62500 -1.0 2.0
   58    57    61    87   3.62500 -1.0 2.0
   61    63    73    76   0.01300  1.0 1.0
   61    63    73    76   0.97950 -1.0 2.0
   61    63    73    76  -0.55700  1.0 3.0
   63    52   -53    54   3.62500 -1.0 2.0
   63    52    53    56   3.62500 -1.0 2.0
   63    61    87    79   0.15800  1.0 1.0
   63    61    87    79   1.85350 -1.0 2.0
   63    61    87    79  -0.48700  1.0 3.0
   63    61    87    88   0.56550  1.0 3.0
   63    73    76    77   3.00000 -1.0 2.0
   63    73   -76    79   2.00000 -1.0 2.0
   73    76    79    80   1.63100 -1.0 2.0
   73    76    79    87  -0.56150  1.0 1.0
   73    76    79    87   2.19150 -1.0 2.0
   76    79   -87    61   7.00000 -1.0 2.0
   76    79    87    88   7.00000 -1.0 2.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    87   1.00000 -1.0 2.0
   80    79    87    61   7.00000 -1.0 2.0
   80    79    87    88   7.00000 -1.0 2.0
   87    61    63    52   3.62500 -1.0 2.0
   87    61   -63    73   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    62    64   0.62750  1.0 1.0
   56    59    62    64  -0.30950 -1.0 2.0
   56    59    62    64   0.27300  1.0 3.0
   56    59    62    68   0.62750  1.0 1.0
   56    59    62    68  -0.30950 -1.0 2.0
   56    59    62    68   0.27300  1.0 3.0
   56    59    62    72   1.11900  1.0 1.0
   56    59    62    72  -1.16350 -1.0 2.0
   56    59    62    72  -0.34150  1.0 3.0
   59    50   -52    53   0.04150 -1.0 2.0
   59    50    52    63   0.04150 -1.0 2.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    66   0.15000  1.0 3.0
   59    62    64    67   0.15000  1.0 3.0
   59    62    68    69   0.15000  1.0 3.0
   59    62    68    70   0.15000  1.0 3.0
   59    62    68    71   0.15000  1.0 3.0
   59    62    72    74  -0.25900  1.0 1.0
   59    62    72    74  -0.47000 -1.0 2.0
   59    62    72    74   0.11750  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    68   0.15000  1.0 3.0
   60    59    62    72   0.23400  1.0 3.0
   62    72    74    75   3.00000 -1.0 2.0
   62    72    74    78   2.00000 -1.0 2.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   64    62    72    74  -0.25900  1.0 1.0
   64    62    72    74  -0.47000 -1.0 2.0
   64    62    72    74   0.11750  1.0 3.0
   68    62    64    65   0.15000  1.0 3.0
   68    62    64    66   0.15000  1.0 3.0
   68    62    64    67   0.15000  1.0 3.0
   68    62    72    74  -0.25900  1.0 1.0
   68    62    72    74  -0.47000 -1.0 2.0
   68    62    72    74   0.11750  1.0 3.0
   72    62    64    65   0.23400  1.0 3.0
   72    62    64    66   0.23400  1.0 3.0
   72    62    64    67   0.23400  1.0 3.0
   72    62    68    69   0.23400  1.0 3.0
   72    62    68    70   0.23400  1.0 3.0
   72    62    68    71   0.23400  1.0 3.0
   72    74    78    81  -0.56150  1.0 1.0
   72    74    78    81   2.19150 -1.0 2.0
   72    74    78    83  -0.15000  1.0 1.0
   72    74    78    83   0.89550 -1.0 2.0
   72    74    78    83  -0.06900  1.0 3.0
   74    78    81    82   7.00000 -1.0 2.0
   74    78    81    89   7.00000 -1.0 2.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86   0.15000  1.0 3.0
   75    74    78    81   1.00000 -1.0 2.0
   75    74    78    83  -0.64400  1.0 1.0
   75    74    78    83   0.26850 -1.0 2.0
   78    81    89    90   0.00000  1.0 1.0
   78    81    89    91   0.00000  1.0 1.0
   78    81    89    92   0.00000  1.0 1.0
   81    78    83    84   0.00000  1.0 1.0
   81    78    83    85   0.00000  1.0 1.0
   81    78    83    86   0.00000  1.0 1.0
   82    81    89    90   0.33100  1.0 3.0
   82    81    89    91   0.33100  1.0 3.0
   82    81    89    92   0.33100  1.0 3.0
   83    78    81    82   7.00000 -1.0 2.0
   83    78    81    89   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   53    63    52    50   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   63    87    61    57   4.00000 -1.0 2.0
   61    73    63    52   4.00000 -1.0 2.0
   73    79    76    77  10.50000 -1.0 2.0
   76    80    79    87   1.10000 -1.0 2.0
   61    88    87    79   1.10000 -1.0 2.0
   72    78    74    75  10.50000 -1.0 2.0
   74    83    78    81  15.00000 -1.0 2.0
   89    82    81    78  15.00000 -1.0 2.0
END
