* LIGAND DATABASE FILE (OPLS2005)
*
001      88    93    162    264     474
    1     0 S   NP   _N1_     1    28.77359    97.38793   -21.99458
    2     1 S   H    _HN1     2     1.02789    98.15603   -91.56238
    3     1 S   H    _H1_     3     1.02951    68.48695    15.02048
    4     1 S   H    _H2_     4     1.02829    45.41883   161.33662
    5     1 S   CT   _CA1     5     1.50139   147.42817   109.55467
    6     5 S   HC   _HA1     6     1.09577   105.15528    96.04195
    7     5 S   CO3  _C1_     7     1.53707   112.39480   -24.09104
    8     7 S   O2Z  _O11     8     1.26364   114.99229   -43.71167
    9     7 S   O2Z  _O12     9     1.26239   114.92385   135.20060
   10     5 S   CT   _CB1    10     1.53048   107.39154  -146.08324
   11    10 S   HC   HB11    11     1.09837   109.18898   -50.11508
   12    10 S   HC   HB12    12     1.09812   110.53031    66.43197
   13    10 S   CT   _CG1    13     1.53017   112.70269  -171.12139
   14    13 S   HC   HG11    14     1.09577   110.63455   -68.39764
   15    13 S   HC   HG12    15     1.09671   109.79027    50.84975
   16    13 S   C    _CD1    16     1.51847   112.04321   171.16149
   17    16 S   O    _OE1    17     1.22749   123.20985     9.16349
   18    16 S   N    _N2_    18     1.38593   111.76975  -170.79427
   19    18 S   H    _HN2    19     1.01590   118.98876     0.47313
   20    18 S   CT1  _CA2    20     1.46277   123.45516   177.10809
   21    20 S   HC   _HA2    21     1.09735   109.36659     1.48925
   22    20 S   C    _C2_    22     1.53524   108.65432  -113.95902
   23    22 S   O    _O2_    23     1.23059   122.30406  -149.01768
   24    20 S   CT   _CB2    32     1.53224   111.40364   123.56372
   25    24 S   HC   HB21    33     1.09515   109.96454    56.95819
   26    24 S   HC   HB22    34     1.09515   110.71481   175.24169
   27    22 S   N    _N3_    24     1.38342   113.68556    38.53506
   28    27 S   H    _HN3    25     1.01587   119.51801    -3.58151
   29    24 S   S    _SG2    35     1.82853   111.18863   -65.86845
   30    27 S   CT   _CA3    26     1.45274   123.24323   177.06822
   31    30 S   HC   HA31    27     1.09549   107.52966   -64.17523
   32    30 S   HC   HA32    28     1.09556   107.96443    52.26203
   33    29 S   CT   _C27    36     1.87351    99.76566   142.35876
   34    33 S   HC   _H4_    37     1.09885   104.26577    42.86426
   35    30 S   CO3  _C3_    29     1.52962   114.07345   174.24899
   36    35 S   O2Z  _O31    30     1.26380   116.06939    -0.41543
   37    35 S   O2Z  _O32    31     1.26429   114.41096   179.64282
   38    33 S   CT   _C28    38     1.55499   108.98891   -77.11248
   39    38 S   OM   _O44    39     1.32437   108.87252   160.23403
   40    38 S   HC   _H5_    40     1.09957   107.35740    31.96780
   41    33 S   CO   _C14    49     1.55616   109.36109   159.14359
   42    38 S   CA   _C9_    41     1.52204   109.57747   -81.40431
   43    41 S   CT   _C15    50     1.56436   113.48102  -165.68085
   44    43 S   HC   _H3_    51     1.09699   111.91612    31.30510
   45    42 S   CA   _C8_    42     1.40815   119.10884   163.28841
   46    45 S   HA   _H10    43     1.08946   118.91196     1.32219
   47    43 S   CA   _C16    52     1.48868   100.06108   144.89143
   48    43 S   OH   _O43    75     1.41255   114.49123   -94.67253
   49    48 S   HO   _H18    76     0.97486   106.45813    68.20259
   50    45 S   CA   _C7_    44     1.40006   121.37276  -178.42095
   51    47 S   CA   _C21    53     1.38197   108.41956   -18.88809
   52    50 S   CA   _C12    45     1.39674   119.84533     0.53705
   53    51 S   CA   _C20    54     1.38260   122.06007  -176.41854
   54    41 S   OS   _O37    74     1.47222   107.45315   -50.98414
   55    52 S   CA   _C11    46     1.40444   119.23224    -0.19180
   56    53 S   CA   _C19    55     1.40628   118.68171    -0.81853
   57    53 S   OH   _O38    72     1.36542   117.27087   179.48452
   58    57 S   HO   _H12    73     0.97340   109.15420  -179.37006
   59    52 S   CO4  _C13    79     1.48797   119.10792   179.69739
   60    59 S   O    _O33    80     1.22532   121.40279   179.75213
   61    42 S   CA   _C10    47     1.40080   122.28520   -14.69164
   62    56 S   CA   _C18    56     1.41256   119.69363     1.08534
   63    55 S   OH   _O35    77     1.37337   122.35661   179.76261
   64    63 S   HO   _H11    78     0.97296   109.30424    -0.05595
   65    59 S   OS   _O34    81     1.36655   117.22346    -0.18663
   66    61 S   OS   _O36    48     1.36967   123.90519    -0.94853
   67    47 S   CA   _C17    57     1.38452   131.09109   165.85456
   68    62 S   CO4  _C25    60     1.48109   119.60855   179.29724
   69    68 S   O    _O40    61     1.22561   121.86751  -177.40000
   70    65 S   CM   _C5_    82     1.41065   122.27160     0.00000
   71    67 S   OH   _O42    58     1.36576   117.31862    -2.75981
   72    71 S   HO   _H17    59     0.97320   109.32451  -179.57296
   73    68 S   CM   _C24    62     1.47208   118.43264     2.98367
   74    73 S   HC   _H13    63     1.08527   116.73815   178.28936
   75    50 S   CM   _C6_    83     1.45391   119.89085  -179.81443
   76    75 S   HC   _H9_    84     1.08438   119.34424    -0.13562
   77    70 S   CT   _C4_    85     1.49326   114.11698  -179.24385
   78    77 S   HC   _H6_    86     1.09458   110.19562   -60.45685
   79    77 S   HC   _H7_    87     1.09490   112.06836   179.28564
   80    77 S   HC   _H8_    88     1.09466   110.18369    59.13427
   81    73 S   CM   _C23    64     1.33382   122.45331    -1.27103
   82    56 S   CO4  _C22    65     1.48374   120.33295  -179.49798
   83    82 S   O    _O39    66     1.22637   120.90078    -4.07155
   84    81 S   OS   _O41    67     1.38359   120.29646  -178.29636
   85    84 S   CT   _C26    68     1.42648   110.92535  -106.69535
   86    85 S   HC   _H14    69     1.09400   107.88115   176.21411
   87    85 S   HC   _H15    70     1.09562   110.96167    57.95900
   88    85 S   HC   _H16    71     1.09449   111.49118   -65.33967
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  12   5   4  13   9  12   7  10   4  13   5
   1  11  10  11  10   5   8  12   3   1   7   2   3  10   2   1
   7   1   6   7   3   6   1   1   6   3   5   1   3   2   1   1
   7   3   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    66    41    43    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    45    61    66    41    43    44    47    51    54    48  
   38    39    40    42    66    41    43    54  
   36    37  
   37  
    0  
   39    40    42    45    46    50    55    61    66    41    43    54  
   40    42    45    61    41  
   42    45    61    41  
   43    44    47    51    53    67    54    48    49    42    55    61    66  
   45    46    50    52    55    61    66    63    75  
   44    47    51    53    62    67    71    54    48    49    61    66  
   47    51    67    54    48    49    66  
   46    50    52    55    61    66    59    70    75    76  
   50    52    61    75  
   51    53    56    62    67    71    72    68    57    54    48    49    66  
   49    51    54    66    67  
    0  
   52    55    61    63    59    60    65    70    75    76    77  
   53    56    62    67    71    82    57    58    54    66  
   55    61    66    63    64    59    60    65    70    75    76  
   56    62    67    68    81    82    83    57    58    54  
   56    57    61    66    67  
   61    66    63    64    59    60    65    75  
   62    67    71    68    69    73    81    82    83    84    57    58  
   58    62    82  
    0  
   60    65    70    75    77    61    63  
   65    70  
   66    63    64  
   67    71    72    68    69    73    74    81    82    83  
   64    66  
    0  
   70    75    76    77    78    79    80  
    0  
   71    72    68    69    73    82  
   69    73    74    81    82    84    71  
   73    74    81  
   75    76    77    78    79    80  
   72  
    0  
   74    81    82    83    84    85  
   81    82    84  
   76    77    78    79    80  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88  
   83    84    85  
   84  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   250.000  1.527
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   317.000  1.510
   42    45   469.000  1.400
   42    61   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    52   469.000  1.400
   50    75   320.000  1.460
   52    55   469.000  1.400
   52    59   310.000  1.470
   55    61   469.000  1.400
   55    63   450.000  1.364
   61    66   450.000  1.364
   66    41   320.000  1.380
   41    43   250.000  1.527
   41    54   320.000  1.380
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   320.000  1.410
   47    51   469.000  1.400
   47    67   469.000  1.400
   51    53   469.000  1.400
   51    54   450.000  1.364
   53    56   469.000  1.400
   53    57   450.000  1.364
   56    62   469.000  1.400
   56    82   310.000  1.470
   62    67   469.000  1.400
   62    68   310.000  1.470
   67    71   450.000  1.364
   71    72   553.000  0.945
   68    69   570.000  1.229
   68    73   320.000  1.462
   73    74   340.000  1.080
   73    81   549.000  1.340
   81    82   320.000  1.462
   81    84   440.000  1.360
   82    83   570.000  1.229
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   57    58   553.000  0.945
   48    49   553.000  0.945
   63    64   553.000  0.945
   59    60   570.000  1.229
   59    65   214.000  1.327
   65    70   440.000  1.360
   70    75   549.000  1.340
   70    77   317.000  1.510
   75    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    41    66    90.00000  108.56700
   33    41    43    65.00000  112.71400
   33    41    54    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    42    45    70.00000  120.00000
   38    42    61    70.00000  120.00000
   40    38    39    45.00000  125.66300
   42    38    39    85.00000  111.85700
   42    38    40    35.00000  109.50000
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    61    55    63.00000  120.00000
   42    61    66    70.00000  120.00000
   45    50    52    63.00000  120.00000
   45    50    75    60.00000  120.93500
   50    45    46    35.00000  120.00000
   50    52    55    63.00000  120.00000
   50    52    59    60.00000  119.52600
   50    75    70    60.00000  123.20500
   50    75    76    40.00000  117.26300
   52    55    61    63.00000  120.00000
   52    55    63    70.00000  120.00000
   52    59    60    75.00000  123.78400
   52    59    65    81.00000  111.40000
   55    61    66    70.00000  120.00000
   55    63    64    35.00000  113.00000
   61    42    45    63.00000  120.00000
   61    66    41   100.00000  112.36700
   66    41    43    90.00000  108.56700
   66    41    54    92.60000  111.55000
   41    33    34    45.00000  108.72000
   41    33    38    75.00000  109.43000
   41    43    44    45.00000  108.72000
   41    43    47    70.00000  112.17500
   41    43    48    90.00000  111.58700
   41    54    51   100.00000  112.36700
   43    47    51    70.00000  120.00000
   43    47    67    70.00000  120.00000
   43    48    49    55.00000  108.50000
   47    43    44    35.00000  109.50000
   47    51    53    63.00000  120.00000
   47    51    54    70.00000  120.00000
   47    67    62    63.00000  120.00000
   47    67    71    70.00000  120.00000
   51    53    56    63.00000  120.00000
   51    53    57    70.00000  120.00000
   53    56    62    63.00000  120.00000
   53    56    82    60.00000  119.52600
   53    57    58    35.00000  113.00000
   56    62    67    63.00000  120.00000
   56    62    68    60.00000  119.52600
   56    82    81    65.00000  117.02400
   56    82    83    75.00000  123.78400
   62    67    71    70.00000  120.00000
   62    68    69    75.00000  123.78400
   62    68    73    65.00000  117.02400
   67    47    51    63.00000  120.00000
   67    71    72    35.00000  113.00000
   68    62    67    60.00000  119.52600
   68    73    74    40.00000  117.72500
   68    73    81    65.00000  118.96000
   73    68    69    80.00000  123.72100
   73    81    82    65.00000  118.96000
   73    81    84    80.00000  120.01400
   81    73    74    35.00000  120.00000
   81    82    83    80.00000  123.72100
   81    84    85    90.00000  111.18400
   82    56    62    60.00000  119.52600
   84    81    82    85.00000  116.28000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   57    53    56    70.00000  120.00000
   54    41    43    90.00000  108.56700
   54    51    53    70.00000  120.00000
   48    43    44    35.00000  109.50000
   48    43    47    90.00000  112.51600
   63    55    61    70.00000  120.00000
   59    52    55    60.00000  119.52600
   59    65    70    90.00000  114.22900
   65    59    60    83.00000  123.40000
   65    70    75    80.00000  120.01400
   65    70    77    85.00000  112.85300
   70    75    76    35.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   75    50    52    60.00000  120.93500
   77    70    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    66   0.56750  1.0 1.0
   29    33    41    66  -0.07550 -1.0 2.0
   29    33    41    66   0.20000  1.0 3.0
   29    33    41    43   0.44750  1.0 1.0
   29    33    41    43  -0.17800 -1.0 2.0
   29    33    41    43   0.20200  1.0 3.0
   29    33    41    54   0.56750  1.0 1.0
   29    33    41    54  -0.07550 -1.0 2.0
   29    33    41    54   0.20000  1.0 3.0
   33    38    42    45   0.04150 -1.0 2.0
   33    38    42    61   0.04150 -1.0 2.0
   33    41    43    44   0.15000  1.0 3.0
   33    41    43    47  -0.03700  1.0 1.0
   33    41    43    47   0.37200 -1.0 2.0
   33    41    43    47  -0.47300  1.0 3.0
   33    41    43    48   0.86500  1.0 1.0
   33    41    43    48  -0.17500 -1.0 2.0
   33    41    43    48   0.20800  1.0 3.0
   33    41    54    51  -0.32850  1.0 1.0
   33    41    54    51  -0.35800 -1.0 2.0
   33    41    54    51   0.33950  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    41    66   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    54   0.23400  1.0 3.0
   38    33    41    66   0.62750  1.0 1.0
   38    33    41    66  -0.30950 -1.0 2.0
   38    33    41    66   0.27300  1.0 3.0
   38    33    41    43   0.56750  1.0 1.0
   38    33    41    43  -0.07550 -1.0 2.0
   38    33    41    43   0.20000  1.0 3.0
   38    33    41    54   0.62750  1.0 1.0
   38    33    41    54  -0.30950 -1.0 2.0
   38    33    41    54   0.27300  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   38    42    61    55   3.62500 -1.0 2.0
   38    42   -61    66   3.62500 -1.0 2.0
   39    38    42    45   0.64500  1.0 1.0
   39    38    42    45   0.14800 -1.0 2.0
   39    38    42    45   0.20650  1.0 3.0
   39    38    42    61   0.64500  1.0 1.0
   39    38    42    61   0.14800 -1.0 2.0
   39    38    42    61   0.20650  1.0 3.0
   40    38    42    45   0.00000  1.0 1.0
   40    38    42    61   0.00000  1.0 1.0
   42    45    50    52   3.62500 -1.0 2.0
   42    45    50    75   3.62500 -1.0 2.0
   42    61    66    41   1.63200 -1.0 2.0
   45    42    61    55   3.62500 -1.0 2.0
   45    42    61    66   3.62500 -1.0 2.0
   45    50   -52    55   3.62500 -1.0 2.0
   45    50    52    59   3.62500 -1.0 2.0
   45    50    75    70   0.15800  1.0 1.0
   45    50    75    70   1.85350 -1.0 2.0
   45    50    75    70  -0.48700  1.0 3.0
   45    50    75    76   0.56550  1.0 3.0
   46    45    50    52   3.62500 -1.0 2.0
   46    45    50    75   3.62500 -1.0 2.0
   50    52    55    61   3.62500 -1.0 2.0
   50    52    55    63   3.62500 -1.0 2.0
   50    52    59    60   1.05000 -1.0 2.0
   50    52    59    65   0.98750 -1.0 2.0
   52    50    75    70   0.15800  1.0 1.0
   52    50    75    70   1.85350 -1.0 2.0
   52    50    75    70  -0.48700  1.0 3.0
   52    50    75    76   0.56550  1.0 3.0
   52    55   -61    42   3.62500 -1.0 2.0
   52    55    61    66   3.62500 -1.0 2.0
   52    55    63    64   0.84100 -1.0 2.0
   52    59   -65    70   2.00000 -1.0 2.0
   55    52    59    60   1.05000 -1.0 2.0
   55    52    59    65   0.98750 -1.0 2.0
   55    61    66    41   1.63200 -1.0 2.0
   61    42    45    46   3.62500 -1.0 2.0
   61    42   -45    50   3.62500 -1.0 2.0
   61    55    63    64   0.84100 -1.0 2.0
   61    66   -41    33  -0.32850  1.0 1.0
   61    66   -41    33  -0.35800 -1.0 2.0
   61    66   -41    33   0.33950  1.0 3.0
   61    66    41    43  -0.32850  1.0 1.0
   61    66    41    43  -0.35800 -1.0 2.0
   61    66    41    43   0.33950  1.0 3.0
   61    66    41    54  -0.25600  1.0 1.0
   61    66    41    54  -0.40050 -1.0 2.0
   61    66    41    54   0.34700  1.0 3.0
   66    41    43    44   0.23400  1.0 3.0
   66    41    43    47  -0.64350  1.0 1.0
   66    41    43    47  -0.04200 -1.0 2.0
   66    41    43    47   0.19800  1.0 3.0
   66    41    43    48   3.69350  1.0 1.0
   66    41    43    48  -1.82950 -1.0 2.0
   66    41    54    51  -0.25600  1.0 1.0
   66    41    54    51  -0.40050 -1.0 2.0
   66    41    54    51   0.34700  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42  -0.03700  1.0 1.0
   41    33   -38    42   0.37200 -1.0 2.0
   41    33   -38    42  -0.47300  1.0 3.0
   41    43   -47    51   0.04150 -1.0 2.0
   41    43    47    67   0.04150 -1.0 2.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   43    41   -54    51  -0.32850  1.0 1.0
   43    41   -54    51  -0.35800 -1.0 2.0
   43    41   -54    51   0.33950  1.0 3.0
   43    47    51    53   3.62500 -1.0 2.0
   43    47   -51    54   3.62500 -1.0 2.0
   43    47    67    62   3.62500 -1.0 2.0
   43    47    67    71   3.62500 -1.0 2.0
   44    43    47    51   0.00000  1.0 1.0
   44    43    47    67   0.00000  1.0 1.0
   44    43    48    49   0.19450  1.0 3.0
   47    43    48    49   0.31900  1.0 1.0
   47    43    48    49  -0.11800 -1.0 2.0
   47    43    48    49   0.38750  1.0 3.0
   47    51    53    56   3.62500 -1.0 2.0
   47    51    53    57   3.62500 -1.0 2.0
   47    51   -54    41   1.63200 -1.0 2.0
   47    67    71    72   0.84100 -1.0 2.0
   51    47    67    62   3.62500 -1.0 2.0
   51    47    67    71   3.62500 -1.0 2.0
   51    53   -56    62   3.62500 -1.0 2.0
   51    53    56    82   3.62500 -1.0 2.0
   51    53    57    58   0.84100 -1.0 2.0
   53    51    54    41   1.63200 -1.0 2.0
   53    56    62    67   3.62500 -1.0 2.0
   53    56    62    68   3.62500 -1.0 2.0
   53    56    82    81  -0.11500  1.0 1.0
   53    56    82    81   1.10450 -1.0 2.0
   53    56    82    81  -0.48050  1.0 3.0
   53    56    82    83   1.05000 -1.0 2.0
   56    53    57    58   0.84100 -1.0 2.0
   56    62   -67    47   3.62500 -1.0 2.0
   56    62    67    71   3.62500 -1.0 2.0
   56    62    68    69   1.05000 -1.0 2.0
   56    62    68    73  -0.11500  1.0 1.0
   56    62    68    73   1.10450 -1.0 2.0
   56    62    68    73  -0.48050  1.0 3.0
   62    56    82    81  -0.11500  1.0 1.0
   62    56    82    81   1.10450 -1.0 2.0
   62    56    82    81  -0.48050  1.0 3.0
   62    56    82    83   1.05000 -1.0 2.0
   62    67    71    72   0.84100 -1.0 2.0
   62    68    73    74   1.64500 -1.0 2.0
   62    68   -73    81  -1.65800  1.0 1.0
   62    68   -73    81   0.77650 -1.0 2.0
   67    47   -51    53   3.62500 -1.0 2.0
   67    47    51    54   3.62500 -1.0 2.0
   67    62    68    69   1.05000 -1.0 2.0
   67    62    68    73  -0.11500  1.0 1.0
   67    62    68    73   1.10450 -1.0 2.0
   67    62    68    73  -0.48050  1.0 3.0
   68    62    67    47   3.62500 -1.0 2.0
   68    62    67    71   3.62500 -1.0 2.0
   68    73    81    82   7.00000 -1.0 2.0
   68    73    81    84   7.00000 -1.0 2.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    81   1.00000 -1.0 2.0
   73    81   -82    56  -1.65800  1.0 1.0
   73    81   -82    56   0.77650 -1.0 2.0
   73    81    82    83   1.00000 -1.0 2.0
   73    81    84    85  -2.26850  1.0 1.0
   73    81    84    85   3.39050 -1.0 2.0
   74    73    81    82   7.00000 -1.0 2.0
   74    73    81    84   7.00000 -1.0 2.0
   81    84    85    86   0.08050  1.0 3.0
   81    84    85    87   0.08050  1.0 3.0
   81    84    85    88   0.08050  1.0 3.0
   82    56    62    67   3.62500 -1.0 2.0
   82    56   -62    68   3.62500 -1.0 2.0
   82    81    84    85   0.15100 -1.0 2.0
   84    81    82    56   1.50000 -1.0 2.0
   84    81    82    83  -0.11900  1.0 1.0
   84    81    82    83   0.76850 -1.0 2.0
   84    81    82    83   0.14100  1.0 3.0
   57    53    56    62   3.62500 -1.0 2.0
   57    53    56    82   3.62500 -1.0 2.0
   54    41    43    44   0.23400  1.0 3.0
   54    41   -43    47  -0.64350  1.0 1.0
   54    41   -43    47  -0.04200 -1.0 2.0
   54    41   -43    47   0.19800  1.0 3.0
   54    41    43    48   3.69350  1.0 1.0
   54    41    43    48  -1.82950 -1.0 2.0
   54    51    53    56   3.62500 -1.0 2.0
   54    51    53    57   3.62500 -1.0 2.0
   48    43    47    51   0.14300 -1.0 2.0
   48    43    47    51   0.00300  1.0 3.0
   48    43    47    67   0.14300 -1.0 2.0
   48    43    47    67   0.00300  1.0 3.0
   63    55    61    42   3.62500 -1.0 2.0
   63    55    61    66   3.62500 -1.0 2.0
   59    52    55    61   3.62500 -1.0 2.0
   59    52    55    63   3.62500 -1.0 2.0
   59    65    70    75  -1.93650  1.0 1.0
   59    65    70    75   2.17750 -1.0 2.0
   59    65    70    75  -0.40250  1.0 3.0
   59    65    70    77   2.00000 -1.0 2.0
   60    59    65    70   3.00000 -1.0 2.0
   65    70   -75    50   7.00000 -1.0 2.0
   65    70    75    76   7.00000 -1.0 2.0
   65    70    77    78   0.00000  1.0 1.0
   65    70    77    79   0.00000  1.0 1.0
   65    70    77    80   0.00000  1.0 1.0
   75    50    52    55   3.62500 -1.0 2.0
   75    50   -52    59   3.62500 -1.0 2.0
   75    70    77    78   0.00000  1.0 1.0
   75    70    77    79   0.00000  1.0 1.0
   75    70    77    80   0.00000  1.0 1.0
   77    70    75    50   7.00000 -1.0 2.0
   77    70    75    76   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   45    61    42    38   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   52    75    50    45   4.00000 -1.0 2.0
   55    59    52    50   4.00000 -1.0 2.0
   61    63    55    52   4.00000 -1.0 2.0
   55    66    61    42   4.00000 -1.0 2.0
   51    67    47    43   4.00000 -1.0 2.0
   53    54    51    47   4.00000 -1.0 2.0
   56    57    53    51   4.00000 -1.0 2.0
   62    82    56    53   4.00000 -1.0 2.0
   67    68    62    56   4.00000 -1.0 2.0
   62    71    67    47   4.00000 -1.0 2.0
   62    73    68    69  10.50000 -1.0 2.0
   68    74    73    81   1.10000 -1.0 2.0
   82    84    81    73   1.10000 -1.0 2.0
   56    81    82    83  10.50000 -1.0 2.0
   52    65    59    60  10.50000 -1.0 2.0
   65    77    70    75   1.10000 -1.0 2.0
   50    76    75    70   1.10000 -1.0 2.0
END
