* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    253     476
    1     0 S   NP   _N1_     1    28.84552    93.38803   -21.89522
    2     1 S   H    _HN1     2     1.02992    94.31692    11.24244
    3     1 S   H    _H1_     3     1.02823    26.25843   132.01986
    4     1 S   H    _H2_     4     1.02799    91.01607   -96.92010
    5     1 S   CT   _CA1     5     1.50209   136.99029   138.06667
    6     5 S   HC   _HA1     6     1.09565   105.32472    55.91136
    7     5 S   CO3  _C1_     7     1.53882   112.20084   -64.44000
    8     7 S   O2Z  _O11     8     1.26384   115.14706   -48.38558
    9     7 S   O2Z  _O12     9     1.26245   114.87199   130.77132
   10     5 S   CT   _CB1    10     1.52951   107.28691   173.72046
   11    10 S   HC   HB11    11     1.09821   109.55658   -50.94871
   12    10 S   HC   HB12    12     1.09517   109.96493    65.46824
   13    10 S   CT   _CG1    13     1.52958   113.26508  -172.55487
   14    13 S   HC   HG11    14     1.09582   110.50475   -58.48493
   15    13 S   HC   HG12    15     1.09608   110.17298    60.95789
   16    13 S   C    _CD1    16     1.51848   111.74678  -178.66279
   17    16 S   O    _OE1    17     1.22718   123.14664    -7.75899
   18    16 S   N    _N2_    18     1.38602   111.91660   172.72878
   19    18 S   H    _HN2    19     1.01556   119.05014     3.97252
   20    18 S   CT1  _CA2    20     1.46263   123.25558  -177.97204
   21    20 S   HC   _HA2    21     1.09619   109.07682     5.32414
   22    20 S   C    _C2_    22     1.53490   109.24603  -110.29325
   23    22 S   O    _O2_    23     1.23092   122.15241  -148.89966
   24    20 S   CT   _CB2    32     1.53497   111.37148   127.24752
   25    24 S   HC   HB21    33     1.09652   109.56253    60.70490
   26    24 S   HC   HB22    34     1.09512   111.39525   178.37973
   27    22 S   N    _N3_    24     1.38298   113.89897    38.52274
   28    27 S   H    _HN3    25     1.01581   119.61015    -3.10570
   29    24 S   S    _SG2    35     1.82818   113.20224   -58.26391
   30    27 S   CT   _CA3    26     1.45287   123.08885   176.99066
   31    30 S   HC   HA31    27     1.09554   107.45581   -65.12135
   32    30 S   HC   HA32    28     1.09560   108.01563    51.27565
   33    29 S   CT   _C23    36     1.84124   100.43827   -79.59636
   34    33 S   HC   _H3_    37     1.09349   106.54148    26.68011
   35    30 S   CO3  _C3_    29     1.52928   114.20180   173.28528
   36    35 S   O2Z  _O31    30     1.26356   116.10963    -2.08328
   37    35 S   O2Z  _O32    31     1.26440   114.39056   178.01574
   38    33 S   CM   _C10    38     1.53608   110.31799   146.13541
   39    33 S   CT   _C22    82     1.52890   109.96112   -89.04783
   40    39 S   HC   _H47    83     1.09510   112.71845   -57.70044
   41    39 S   HC   _H48    84     1.09601   110.51885  -178.09525
   42    39 S   HC   _H49    85     1.09581   111.04401    63.16278
   43    38 S   CMA  _C11    39     1.36826   121.99594  -125.33079
   44    43 S   OM   _O21    40     1.26884   125.38458    -3.75974
   45    38 S   CT   _C19    78     1.51920   116.08250    54.98743
   46    45 S   HC   _H38    79     1.09450   110.49222   -81.82588
   47    45 S   HC   _H39    80     1.09398   113.05325   157.23694
   48    45 S   HC   _H40    81     1.09383   111.25157    38.73015
   49    43 S   OS   _O26    41     1.41862   111.53059   176.45442
   50    49 S   CT   _C16    42     1.45203   117.38545  -141.38353
   51    50 S   HC   _H36    43     1.09826   107.84949   -46.10910
   52    50 S   CT   _C13    44     1.55043   108.81997    71.94040
   53    52 S   HC   _H33    45     1.09800   107.52817   -35.38449
   54    50 S   CT   _C18    64     1.54650   107.51913  -160.30998
   55    52 S   CM   _C6_    46     1.49675   114.23910  -154.04595
   56    54 S   CT   _C21    65     1.54488   113.47102   179.85598
   57    56 S   HC   _H44    66     1.08700   113.44291    74.20911
   58    56 S   HC   _H45    67     1.09649   110.61635   -47.38154
   59    56 S   HC   _H46    68     1.09709   112.29706  -165.85722
   60    55 S   CO4  _C8_    47     1.47397   110.07455  -116.94928
   61    60 S   O    _O23    48     1.21742   127.23221   177.65657
   62    55 S   CM   _C9_    75     1.33615   128.15332    65.26054
   63    62 S   HC   _H30    76     1.08560   120.61406    -0.77025
   64    62 S   HC   _H31    77     1.08466   121.95451   178.81535
   65    60 S   OS   _O24    49     1.36112   106.95899    -1.44442
   66    52 S   CT   _C15    50     1.52788   121.54335    85.87773
   67    66 S   HC   _H35    51     1.10026   106.39973  -144.99799
   68    66 S   CT   _C17    52     1.53448   122.17359   -24.25088
   69    68 S   HC   _H37    53     1.09643   109.02955   -55.73045
   70    68 S   CT   _C14    54     1.55672   117.84762    69.55321
   71    70 S   HC   _H34    55     1.09517   109.63757    49.40799
   72    68 S   OH   _O25    73     1.44015   106.26019  -169.51866
   73    72 S   HO   _H51    74     0.97336   108.20987    56.10493
   74    70 S   CT   _C12    56     1.54278   109.68373   -73.11795
   75    74 S   HC   _H32    57     1.10030   105.40471   -51.17999
   76    70 S   CT   _C20    69     1.54371   109.90727   165.05356
   77    76 S   HC   _H41    70     1.09527   111.19335    62.74048
   78    76 S   HC   _H42    71     1.09481   111.69680   -58.13793
   79    76 S   HC   _H43    72     1.09412   111.35996  -176.16166
   80    74 S   CM   _C5_    58     1.50998   119.86089  -165.94789
   81    80 S   HC   _H29    59     1.08121   123.91946    35.93474
   82    80 S   CM   _C4_    60     1.33589   113.68807  -153.06260
   83    82 S   HC   _H28    61     1.07498   129.02233  -173.95428
   84    82 S   CO4  _C7_    62     1.47418   105.21974     6.91866
   85    84 S   O    _O22    63     1.22145   122.63280  -171.18860
  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
  10  22   8  18   8  18   9  10   4   3   2   8   3   4   1   1
   6   9   4  12   6  13   8   3   1  11   5   4   2   1   1   5
   3   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    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    55    66    74    84    54    56  
   51    52    53    55    60    65    66    67    68    70    74    75    80    82    84    85    54    56    57    58    59    62  
   52    53    55    66    74    84    54    56  
   53    55    60    61    65    66    67    68    69    70    74    84    54    56    72    62    63    64  
   55    60    65    66    67    68    54    62  
   56    57    58    59    76    55    66    68    70    71    74    75    80    81    82    83    84    85  
   60    61    65    66    67    68    62    63    64  
   57    58    59    70    74    75    80    82    84    85  
   58    59    74    84  
   59    74    84  
   74    84  
   61    65    66    67    68    62    63    64  
   65    66    62  
   63    64    65    66  
   64  
    0  
   66    67    68    69    70    72  
   67    68    69    70    71    74    76    72    73  
   68    69    70    72  
   69    70    71    74    75    80    76    77    78    79    72    73  
   70    71    74    76    72    73  
   71    74    75    80    81    82    84    76    77    78    79    72    73  
   74    75    80    76    77    78    79    72  
   73    74    76  
    0  
   75    80    81    82    83    84    85    76    77    78    79  
   80    81    82    84    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83    84    85  
   82    83    84  
   83    84    85  
   84    85  
   85  
    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   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   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   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   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.510
   52    66   268.000  1.529
   55    60   320.000  1.462
   55    62   549.000  1.340
   60    61   570.000  1.229
   60    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   268.000  1.529
   74    75   340.000  1.090
   74    80   317.000  1.510
   74    54   268.000  1.529
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   340.000  1.080
   82    84   320.000  1.462
   84    85   570.000  1.229
   84    54   317.000  1.522
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   72    73   553.000  0.945
   62    63   340.000  1.080
   62    64   340.000  1.080
   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    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    55    70.00000  112.02700
   50    52    66    58.35000  112.70000
   50    54    74    58.35000  112.70000
   50    54    84    63.00000  111.10000
   50    54    56    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    60    65.00000  116.34900
   52    55    62    70.00000  124.00000
   52    66    65    50.00000  109.50000
   52    66    67    37.50000  110.70000
   52    66    68    58.35000  112.70000
   55    52    53    35.00000  109.50000
   55    60    61    80.00000  123.72100
   55    60    65    90.00000  111.29400
   55    62    63    35.00000  120.00000
   55    62    64    35.00000  120.00000
   60    65    66    83.00000  116.90000
   65    60    61    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    50.00000  109.50000
   66    52    53    37.50000  110.70000
   66    52    55    70.00000  112.02700
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    72    50.00000  109.50000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    58.35000  112.70000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    80    70.00000  112.02700
   70    74    54    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   74    70    71    37.50000  110.70000
   74    80    81    35.00000  117.00000
   74    80    82    70.00000  124.00000
   74    54    84    63.00000  111.10000
   74    54    56    58.35000  112.70000
   80    74    75    35.00000  109.50000
   80    82    83    35.00000  120.00000
   80    82    84    65.00000  118.96000
   82    80    81    35.00000  120.00000
   82    84    85    80.00000  123.72100
   82    84    54    65.00000  118.62400
   84    82    83    40.00000  117.72500
   84    54    56    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    74    75    37.50000  110.70000
   54    74    80    70.00000  112.02700
   54    84    85    80.00000  120.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   62    55    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   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  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    55   0.61850  1.0 1.0
   49    50    52    55  -0.22750 -1.0 2.0
   49    50    52    55   0.15300  1.0 3.0
   49    50    52    66   0.62750  1.0 1.0
   49    50    52    66  -0.30950 -1.0 2.0
   49    50    52    66   0.27300  1.0 3.0
   49    50    54    74   0.62750  1.0 1.0
   49    50    54    74  -0.30950 -1.0 2.0
   49    50    54    74   0.27300  1.0 3.0
   49    50    54    84  -0.09450  1.0 1.0
   49    50    54    84  -1.12950 -1.0 2.0
   49    50    54    84   0.54000  1.0 3.0
   49    50    54    56   0.62750  1.0 1.0
   49    50    54    56  -0.30950 -1.0 2.0
   49    50    54    56   0.27300  1.0 3.0
   50    52    55    60   0.09700  1.0 1.0
   50    52    55    60   0.15600 -1.0 2.0
   50    52    55    60  -0.50800  1.0 3.0
   50    52    55    62   0.09850  1.0 1.0
   50    52    55    62   0.15250 -1.0 2.0
   50    52    55    62  -0.50650  1.0 3.0
   50    52    66    65   0.62750  1.0 1.0
   50    52    66    65  -0.30950 -1.0 2.0
   50    52    66    65   0.27300  1.0 3.0
   50    52    66    67   0.15000  1.0 3.0
   50    52    66    68   0.56750  1.0 1.0
   50    52    66    68  -0.07550 -1.0 2.0
   50    52    66    68   0.20000  1.0 3.0
   50    54    56    57   0.15000  1.0 3.0
   50    54    56    58   0.15000  1.0 3.0
   50    54    56    59   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    66   0.15000  1.0 3.0
   51    50    54    74   0.15000  1.0 3.0
   51    50    54    84  -0.11250  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    74   0.56750  1.0 1.0
   52    50    54    74  -0.07550 -1.0 2.0
   52    50    54    74   0.20000  1.0 3.0
   52    50    54    84  -0.95700  1.0 1.0
   52    50    54    84  -0.18200 -1.0 2.0
   52    50    54    84   0.29450  1.0 3.0
   52    50    54    56   0.56750  1.0 1.0
   52    50    54    56  -0.07550 -1.0 2.0
   52    50    54    56   0.20000  1.0 3.0
   52    55    60    61  -0.64400  1.0 1.0
   52    55    60    61   0.26850 -1.0 2.0
   52    55   -60    65  -0.15000  1.0 1.0
   52    55   -60    65   0.89550 -1.0 2.0
   52    55   -60    65  -0.06900  1.0 3.0
   52    55    62    63   7.00000 -1.0 2.0
   52    55    62    64   7.00000 -1.0 2.0
   52    66    68    69   0.15000  1.0 3.0
   52    66    68    70   0.56750  1.0 1.0
   52    66    68    70  -0.07550 -1.0 2.0
   52    66    68    70   0.20000  1.0 3.0
   52    66    68    72   0.86500  1.0 1.0
   52    66    68    72  -0.17500 -1.0 2.0
   52    66    68    72   0.20800  1.0 3.0
   53    52    55    60   0.15000  1.0 3.0
   53    52    55    62   0.00000  1.0 1.0
   53    52    66    65   0.23400  1.0 3.0
   53    52    66    67   0.15000  1.0 3.0
   53    52    66    68   0.15000  1.0 3.0
   55    52   -66    65   0.61850  1.0 1.0
   55    52   -66    65  -0.22750 -1.0 2.0
   55    52   -66    65   0.15300  1.0 3.0
   55    52    66    67   0.15000  1.0 3.0
   55    52    66    68   0.34400  1.0 1.0
   55    52    66    68   0.09450 -1.0 2.0
   55    52    66    68   0.11100  1.0 3.0
   55    60   -65    66   2.00000 -1.0 2.0
   60    55    62    63   7.00000 -1.0 2.0
   60    55    62    64   7.00000 -1.0 2.0
   60    65   -66    52  -0.25900  1.0 1.0
   60    65   -66    52  -0.47000 -1.0 2.0
   60    65   -66    52   0.11750  1.0 3.0
   60    65    66    67   0.08050  1.0 3.0
   60    65    66    68  -0.25900  1.0 1.0
   60    65    66    68  -0.47000 -1.0 2.0
   60    65    66    68   0.11750  1.0 3.0
   61    60    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   3.69350  1.0 1.0
   65    66    68    72  -1.82950 -1.0 2.0
   66    52   -55    60   0.09700  1.0 1.0
   66    52   -55    60   0.15600 -1.0 2.0
   66    52   -55    60  -0.50800  1.0 3.0
   66    52    55    62   0.09850  1.0 1.0
   66    52    55    62   0.15250 -1.0 2.0
   66    52    55    62  -0.50650  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76   0.56750  1.0 1.0
   66    68    70    76  -0.07550 -1.0 2.0
   66    68    70    76   0.20000  1.0 3.0
   66    68    72    73  -0.11600  1.0 1.0
   66    68    72    73  -0.09450 -1.0 2.0
   66    68    72    73   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70    74    80   0.34400  1.0 1.0
   68    70    74    80   0.09450 -1.0 2.0
   68    70    74    80   0.11100  1.0 3.0
   68    70    74    54   0.56750  1.0 1.0
   68    70    74    54  -0.07550 -1.0 2.0
   68    70    74    54   0.20000  1.0 3.0
   68    70    76    77   0.15000  1.0 3.0
   68    70    76    78   0.15000  1.0 3.0
   68    70    76    79   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.15000  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74    80    81   0.00000  1.0 1.0
   70    74    80    82   0.09850  1.0 1.0
   70    74    80    82   0.15250 -1.0 2.0
   70    74    80    82  -0.50650  1.0 3.0
   70    74    54    50   0.56750  1.0 1.0
   70    74    54    50  -0.07550 -1.0 2.0
   70    74    54    50   0.20000  1.0 3.0
   70    74    54    84  -0.95700  1.0 1.0
   70    74    54    84  -0.18200 -1.0 2.0
   70    74    54    84   0.29450  1.0 3.0
   70    74    54    56   0.56750  1.0 1.0
   70    74    54    56  -0.07550 -1.0 2.0
   70    74    54    56   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    80   0.15000  1.0 3.0
   71    70    74    54   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   74    70    76    77   0.15000  1.0 3.0
   74    70    76    78   0.15000  1.0 3.0
   74    70    76    79   0.15000  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80   -82    84   7.00000 -1.0 2.0
   74    54    56    57   0.15000  1.0 3.0
   74    54    56    58   0.15000  1.0 3.0
   74    54    56    59   0.15000  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    54    50   0.15000  1.0 3.0
   75    74    54    84  -0.11250  1.0 3.0
   75    74    54    56   0.15000  1.0 3.0
   80    74    54    50   0.34400  1.0 1.0
   80    74    54    50   0.09450 -1.0 2.0
   80    74    54    50   0.11100  1.0 3.0
   80    74   -54    84  -0.98800  1.0 1.0
   80    74   -54    84   0.48800 -1.0 2.0
   80    74   -54    84   0.76800  1.0 3.0
   80    74    54    56   0.34400  1.0 1.0
   80    74    54    56   0.09450 -1.0 2.0
   80    74    54    56   0.11100  1.0 3.0
   80    82    84    85   1.00000 -1.0 2.0
   80    82   -84    54  -0.33500  1.0 1.0
   80    82   -84    54   1.06600 -1.0 2.0
   80    82   -84    54  -0.14000  1.0 3.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    84   7.00000 -1.0 2.0
   82    84    54    50   0.65300  1.0 1.0
   82    84    54    50  -0.03850 -1.0 2.0
   82    84    54    50   0.33900  1.0 3.0
   82    84   -54    74   0.65300  1.0 1.0
   82    84   -54    74  -0.03850 -1.0 2.0
   82    84   -54    74   0.33900  1.0 3.0
   82    84    54    56   0.65300  1.0 1.0
   82    84    54    56  -0.03850 -1.0 2.0
   82    84    54    56   0.33900  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    54   0.04550  1.0 1.0
   83    82    84    54   0.83000 -1.0 2.0
   83    82    84    54  -0.04000  1.0 3.0
   84    54    56    57  -0.11250  1.0 3.0
   84    54    56    58  -0.11250  1.0 3.0
   84    54    56    59  -0.11250  1.0 3.0
   85    84    54    50   0.30150 -1.0 2.0
   85    84    54    74   0.30150 -1.0 2.0
   85    84    54    56   0.30150 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    55   0.34400  1.0 1.0
   54    50    52    55   0.09450 -1.0 2.0
   54    50    52    55   0.11100  1.0 3.0
   54    50    52    66   0.56750  1.0 1.0
   54    50    52    66  -0.07550 -1.0 2.0
   54    50    52    66   0.20000  1.0 3.0
   54    74    80    81   0.00000  1.0 1.0
   54    74   -80    82   0.09850  1.0 1.0
   54    74   -80    82   0.15250 -1.0 2.0
   54    74   -80    82  -0.50650  1.0 3.0
   76    70    74    75   0.15000  1.0 3.0
   76    70    74    80   0.34400  1.0 1.0
   76    70    74    80   0.09450 -1.0 2.0
   76    70    74    80   0.11100  1.0 3.0
   76    70    74    54   0.56750  1.0 1.0
   76    70    74    54  -0.07550 -1.0 2.0
   76    70    74    54   0.20000  1.0 3.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   0.86500  1.0 1.0
   72    68    70    76  -0.17500 -1.0 2.0
   72    68    70    76   0.20800  1.0 3.0
   62    55    60    61   1.00000 -1.0 2.0
   62    55    60    65  -0.56150  1.0 1.0
   62    55    60    65   2.19150 -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
   52    60    55    62   1.10000 -1.0 2.0
   55    65    60    61  10.50000 -1.0 2.0
   74    81    80    82   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   82    54    84    85  10.50000 -1.0 2.0
   63    64    62    55   1.10000 -1.0 2.0
END
