* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    166    257     481
    1     0 S   NP   _N1_     1    29.40586    96.04504   -16.64663
    2     1 S   H    _HN1     2     1.02774    61.23973   -68.63235
    3     1 S   H    _H1_     3     1.02962   101.75303    35.98215
    4     1 S   H    _H2_     4     1.02827    51.31127   138.50902
    5     1 S   CT   _CA1     5     1.50174   147.29569  -155.47077
    6     5 S   HC   _HA1     6     1.09580   105.17699     9.47754
    7     5 S   CO3  _C1_     7     1.54010   112.32636  -110.38601
    8     7 S   O2Z  _O11     8     1.26365   115.10528   -41.04124
    9     7 S   O2Z  _O12     9     1.26282   114.94517   137.88056
   10     5 S   CT   _CB1    10     1.53152   107.28586   127.17972
   11    10 S   HC   HB11    11     1.09810   109.56044   -50.48788
   12    10 S   HC   HB12    12     1.09750   110.17241    65.97124
   13    10 S   CT   _CG1    13     1.52913   112.64007  -171.61705
   14    13 S   HC   HG11    14     1.09220   109.88635   -57.93855
   15    13 S   HC   HG12    15     1.09616   110.22557    60.80307
   16    13 S   C    _CD1    16     1.51832   112.57109  -178.74946
   17    16 S   O    _OE1    17     1.22746   123.02844   -17.31499
   18    16 S   N    _N2_    18     1.38672   111.83140   164.03005
   19    18 S   H    _HN2    19     1.01717   119.07573     0.29871
   20    18 S   CT1  _CA2    20     1.46264   123.63004  -179.50822
   21    20 S   HC   _HA2    21     1.09732   109.30301   -11.86045
   22    20 S   C    _C2_    22     1.53439   108.37879  -127.49122
   23    22 S   O    _O2_    23     1.23030   122.21611  -146.77065
   24    20 S   CT   _CB2    32     1.53534   111.51884   110.29067
   25    24 S   HC   HB21    33     1.09533   109.81009    56.38458
   26    24 S   HC   HB22    34     1.09515   110.62360   174.58347
   27    22 S   N    _N3_    24     1.38509   113.42930    40.73579
   28    27 S   H    _HN3    25     1.01522   118.88363    -0.95368
   29    24 S   S    _SG2    35     1.82846   111.43798   -66.54723
   30    27 S   CT   _CA3    26     1.45437   123.44941   175.16357
   31    30 S   HC   HA31    27     1.09525   109.22325    24.72495
   32    30 S   HC   HA32    28     1.09497   107.12643   141.69875
   33    29 S   CT   _C29    36     1.84030   100.34219   134.35860
   34    33 S   HC   _H3_    37     1.09442   107.49783   -33.97494
   35    30 S   CO3  _C3_    29     1.52923   113.11553   -98.75857
   36    35 S   O2Z  _O31    30     1.26405   115.40289   -45.45080
   37    35 S   O2Z  _O32    31     1.26359   115.00453   135.50600
   38    33 S   CT   _C26    38     1.52871   108.69243    82.39037
   39    38 S   HC   _H50    39     1.09507   112.30574    60.05810
   40    38 S   HC   _H51    40     1.09561   110.40559  -179.79347
   41    38 S   HC   _H52    41     1.09581   111.28449   -61.10285
   42    33 S   CT   _C28    42     1.55026   113.17267  -152.42642
   43    42 S   HC   _H56    43     1.09900   107.36362  -174.00449
   44    42 S   CO4  _C21    44     1.52843   110.45184    69.53135
   45    44 S   O    _O28    45     1.22639   124.23524   -75.09827
   46    42 S   CT   _C25    88     1.53024   115.51304   -55.22969
   47    46 S   HC   _H47    89     1.09451   112.43740    65.25264
   48    46 S   HC   _H48    90     1.09383   111.42997   -56.72938
   49    46 S   HC   _H49    91     1.09585   110.26920  -175.92513
   50    44 S   CA   _C12    46     1.47482   117.47206   104.47409
   51    50 S   CA   _C14    47     1.39759   119.83300   -97.20053
   52    51 S   CA   _C10    48     1.39784   121.94149  -179.13205
   53    52 S   CA   _C13    49     1.41375   117.46383    -1.05869
   54    52 S   CM   _C19    71     1.48281   117.93904   178.77347
   55    53 S   CA   _C11    50     1.41044   121.30776     0.21122
   56    54 S   CA   _C9_    72     1.47768   126.79694  -176.76402
   57    54 S   CM   _C17    83     1.34365   118.99603     1.53174
   58    57 S   HC   _H39    84     1.08712   121.75080  -179.42223
   59    50 S   CA   _C15    51     1.39488   120.15019    84.04124
   60    55 S   CM   _C16    57     1.46097   119.20302  -176.61326
   61    60 S   HC   _H38    58     1.08339   120.25717   171.07361
   62    56 S   CA   _C7_    73     1.40176   120.46443   -93.20376
   63    62 S   HA   _H36    74     1.08724   120.61797     0.39267
   64    57 S   CO4  _C20    85     1.46728   123.29894    -0.16786
   65    64 S   O    _O27    86     1.22586   121.58530   179.52522
   66    59 S   OS   _O33    52     1.37304   119.55356    -1.95765
   67    60 S   CM   _C18    59     1.33421   118.75263   -10.52224
   68    67 S   HC   _H40    60     1.08671   119.19465  -177.48363
   69    62 S   CA   _C5_    75     1.39550   120.11461   179.96044
   70    69 S   HA   _H34    76     1.08624   119.93791  -179.73312
   71    51 S   OS   _O29    87     1.40930   117.05754     1.39830
   72    66 S   CT   _C27    53     1.43009   110.37678    93.09556
   73    72 S   HC   _H53    54     1.09404   107.67730   179.66545
   74    72 S   HC   _H54    55     1.09517   111.50099    61.37662
   75    72 S   HC   _H55    56     1.09458   111.50520   -62.09269
   76    67 S   CT   _C22    61     1.50459   122.11862     1.10394
   77    69 S   CA   _C4_    77     1.39449   120.09750     0.18023
   78    77 S   HA   _H33    78     1.08623   119.96967  -179.93147
   79    53 S   OS   _O30    62     1.37192   117.56816  -177.22082
   80    76 S   CT   _C23    63     1.53309   110.11430  -104.81550
   81    80 S   HC   _H41    64     1.09585   110.87246  -178.84988
   82    80 S   HC   _H42    65     1.09655   111.10160    63.20362
   83    80 S   HC   _H43    66     1.09555   111.87966   -57.87305
   84    76 S   CT   _C24    67     1.53359   109.29314   134.80014
   85    84 S   HC   _H44    68     1.09642   110.85508  -179.49294
   86    84 S   HC   _H45    69     1.09558   112.04560    59.48013
   87    84 S   HC   _H46    70     1.09678   110.89253   -61.70067
   88    77 S   CA   _C6_    79     1.39434   120.07084     0.06256
   89    88 S   HA   _H35    80     1.08622   120.00455  -179.96574
   90    56 S   CA   _C8_    81     1.40205   120.03566    87.16166
   91    90 S   HA   _H37    82     1.08782   120.55241    -0.38967
  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
  14   8   2   1   1   7   3   2   1  10   7  12   4   4   2   1
   1  11  12  14  14  14   9  12   6   3  10   8   3   8   4   2
   1   4  11   4   6   3   1   3   2   1   1   9   5   3   8   7
   3   2   1   3   2   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    59    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    55    59    66    71    46    47    48    49  
   50    51    59    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    55    59    66    72    60    54    64    71  
   52    53    55    59    66    79    54    56    57    64    65    71  
   53    55    59    60    76    79    54    56    62    90    57    58    64    71  
   55    59    66    60    61    67    76    79    80    84    54    56    57    71  
   56    62    63    69    88    90    91    57    58    64    65    71    55    79  
   59    66    72    60    61    67    68    76    79  
   62    63    69    70    77    88    89    90    91    57    58    64  
   58    64    65    71    62    90  
   64    65    71  
   66    72    73    74    75    60    61    67    79    71  
   61    67    68    76    79    80    84    66  
   67    68    76  
   63    69    70    77    78    88    90    91  
   69    70    77    90  
   65    71  
   71  
   72    73    74    75  
   68    76    79    80    81    82    83    84    85    86    87  
   76    79    80    84  
   70    77    78    88    89    90  
   77    78    88  
    0  
   73    74    75  
   74    75  
   75  
    0  
   79    80    81    82    83    84    85    86    87  
   78    88    89    90    91  
   88    89    90  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.000000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   310.000  1.470
   50    51   469.000  1.400
   50    59   469.000  1.400
   51    52   469.000  1.400
   51    71   450.000  1.364
   52    53   469.000  1.400
   52    54   320.000  1.460
   53    55   469.000  1.400
   53    79   450.000  1.364
   55    59   469.000  1.400
   55    60   320.000  1.460
   59    66   450.000  1.364
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   340.000  1.080
   60    67   549.000  1.340
   67    68   340.000  1.080
   67    76   317.000  1.510
   76    79   320.000  1.410
   76    80   268.000  1.529
   76    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   54    56   320.000  1.460
   54    57   549.000  1.340
   56    62   469.000  1.400
   56    90   469.000  1.400
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    70   367.000  1.080
   69    77   469.000  1.400
   77    78   367.000  1.080
   77    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   57    58   340.000  1.080
   57    64   320.000  1.462
   64    65   570.000  1.229
   64    71   214.000  1.327
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    65.00000  115.47100
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    60.00000  119.52600
   44    50    59    60.00000  119.52600
   50    44    45    75.00000  123.78400
   50    51    52    63.00000  120.00000
   50    51    71    70.00000  120.00000
   50    59    55    63.00000  120.00000
   50    59    66    70.00000  120.00000
   51    52    53    63.00000  120.00000
   51    52    54    60.00000  120.93500
   51    71    64    85.00000  115.98000
   52    53    55    63.00000  120.00000
   52    53    79    70.00000  120.00000
   52    54    56    60.00000  124.00000
   52    54    57    60.00000  123.20500
   53    55    59    63.00000  120.00000
   53    55    60    60.00000  120.93500
   53    79    76    75.00000  111.00000
   55    59    66    70.00000  120.00000
   55    60    61    40.00000  117.26300
   55    60    67    60.00000  123.20500
   59    50    51    63.00000  120.00000
   59    66    72    75.00000  111.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    55    59    60.00000  120.93500
   60    67    68    35.00000  120.00000
   60    67    76    70.00000  124.00000
   67    60    61    35.00000  120.00000
   67    76    79    85.00000  110.90400
   67    76    80    70.00000  112.02700
   67    76    84    70.00000  112.02700
   76    67    68    35.00000  117.00000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    83    37.50000  110.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   79    53    55    70.00000  120.00000
   80    76    79    50.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    76    79    50.00000  109.50000
   84    76    80    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   54    52    53    60.00000  120.93500
   54    56    62    60.00000  118.70000
   54    56    90    60.00000  118.70000
   54    57    58    35.00000  120.00000
   54    57    64    65.00000  118.96000
   56    62    63    35.00000  120.00000
   56    62    69    63.00000  120.00000
   56    90    88    63.00000  120.00000
   56    90    91    35.00000  120.00000
   62    69    70    35.00000  120.00000
   62    69    77    63.00000  120.00000
   69    62    63    35.00000  120.00000
   69    77    78    35.00000  120.00000
   69    77    88    63.00000  120.00000
   77    69    70    35.00000  120.00000
   77    88    89    35.00000  120.00000
   77    88    90    63.00000  120.00000
   88    77    78    35.00000  120.00000
   88    90    91    35.00000  120.00000
   90    56    62    63.00000  120.00000
   90    88    89    35.00000  120.00000
   57    54    56    60.00000  123.66000
   57    64    65    80.00000  123.72100
   57    64    71    90.00000  111.29400
   64    57    58    40.00000  117.72500
   71    51    52    70.00000  120.00000
   71    64    65    83.00000  123.40000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.05850 -1.0 2.0
   33    42    44    50   0.17250  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   2.26350  1.0 1.0
   42    44    50    51   0.76750 -1.0 2.0
   42    44    50    51   0.22500  1.0 3.0
   42    44    50    59   2.26350  1.0 1.0
   42    44    50    59   0.76750 -1.0 2.0
   42    44    50    59   0.22500  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   3.62500 -1.0 2.0
   44    50    51    71   3.62500 -1.0 2.0
   44    50    59    55   3.62500 -1.0 2.0
   44    50    59    66   3.62500 -1.0 2.0
   45    44    50    51   1.05000 -1.0 2.0
   45    44    50    59   1.05000 -1.0 2.0
   50    51    52    53   3.62500 -1.0 2.0
   50    51    52    54   3.62500 -1.0 2.0
   50    51    71    64   0.01300  1.0 1.0
   50    51    71    64   0.97950 -1.0 2.0
   50    51    71    64  -0.55700  1.0 3.0
   50    59    66    72   1.63200 -1.0 2.0
   51    50    59    55   3.62500 -1.0 2.0
   51    50    59    66   3.62500 -1.0 2.0
   51    52   -53    55   3.62500 -1.0 2.0
   51    52    53    79   3.62500 -1.0 2.0
   51    52    54    56  -0.01750  1.0 1.0
   51    52    54    56  -0.32000 -1.0 2.0
   51    52    54    56   0.00600  1.0 3.0
   51    52    54    57   0.15800  1.0 1.0
   51    52    54    57   1.85350 -1.0 2.0
   51    52    54    57  -0.48700  1.0 3.0
   52    51    71    64   0.01300  1.0 1.0
   52    51    71    64   0.97950 -1.0 2.0
   52    51    71    64  -0.55700  1.0 3.0
   52    53    55    59   3.62500 -1.0 2.0
   52    53    55    60   3.62500 -1.0 2.0
   52    53    79    76   1.63200 -1.0 2.0
   52    54    56    62  -0.01750  1.0 1.0
   52    54    56    62  -0.32000 -1.0 2.0
   52    54    56    62   0.00600  1.0 3.0
   52    54    56    90  -0.01750  1.0 1.0
   52    54    56    90  -0.32000 -1.0 2.0
   52    54    56    90   0.00600  1.0 3.0
   52    54    57    58   7.00000 -1.0 2.0
   52    54   -57    64   7.00000 -1.0 2.0
   53    52    54    56  -0.01750  1.0 1.0
   53    52    54    56  -0.32000 -1.0 2.0
   53    52    54    56   0.00600  1.0 3.0
   53    52    54    57   0.15800  1.0 1.0
   53    52    54    57   1.85350 -1.0 2.0
   53    52    54    57  -0.48700  1.0 3.0
   53    55   -59    50   3.62500 -1.0 2.0
   53    55    59    66   3.62500 -1.0 2.0
   53    55    60    61   0.56550  1.0 3.0
   53    55    60    67   0.15800  1.0 1.0
   53    55    60    67   1.85350 -1.0 2.0
   53    55    60    67  -0.48700  1.0 3.0
   55    53    79    76   1.63200 -1.0 2.0
   55    59    66    72   1.63200 -1.0 2.0
   55    60    67    68   7.00000 -1.0 2.0
   55    60   -67    76   7.00000 -1.0 2.0
   59    50   -51    52   3.62500 -1.0 2.0
   59    50    51    71   3.62500 -1.0 2.0
   59    55    60    61   0.56550  1.0 3.0
   59    55    60    67   0.15800  1.0 1.0
   59    55    60    67   1.85350 -1.0 2.0
   59    55    60    67  -0.48700  1.0 3.0
   59    66    72    73   0.08050  1.0 3.0
   59    66    72    74   0.08050  1.0 3.0
   59    66    72    75   0.08050  1.0 3.0
   60    55    59    50   3.62500 -1.0 2.0
   60    55    59    66   3.62500 -1.0 2.0
   60    67    76    79   0.39000  1.0 1.0
   60    67    76    79  -0.05800 -1.0 2.0
   60    67    76    79  -0.55150  1.0 3.0
   60    67    76    80   0.09850  1.0 1.0
   60    67    76    80   0.15250 -1.0 2.0
   60    67    76    80  -0.50650  1.0 3.0
   60    67    76    84   0.09850  1.0 1.0
   60    67    76    84   0.15250 -1.0 2.0
   60    67    76    84  -0.50650  1.0 3.0
   61    60    67    68   7.00000 -1.0 2.0
   61    60    67    76   7.00000 -1.0 2.0
   67    76   -79    53  -0.25600  1.0 1.0
   67    76   -79    53  -0.40050 -1.0 2.0
   67    76   -79    53   0.34700  1.0 3.0
   67    76    80    81   0.15000  1.0 3.0
   67    76    80    82   0.15000  1.0 3.0
   67    76    80    83   0.15000  1.0 3.0
   67    76    84    85   0.15000  1.0 3.0
   67    76    84    86   0.15000  1.0 3.0
   67    76    84    87   0.15000  1.0 3.0
   68    67    76    79   0.00000  1.0 1.0
   68    67    76    80   0.00000  1.0 1.0
   68    67    76    84   0.00000  1.0 1.0
   79    53    55    59   3.62500 -1.0 2.0
   79    53   -55    60   3.62500 -1.0 2.0
   79    76    80    81   0.23400  1.0 3.0
   79    76    80    82   0.23400  1.0 3.0
   79    76    80    83   0.23400  1.0 3.0
   79    76    84    85   0.23400  1.0 3.0
   79    76    84    86   0.23400  1.0 3.0
   79    76    84    87   0.23400  1.0 3.0
   80    76    79    53  -0.32850  1.0 1.0
   80    76    79    53  -0.35800 -1.0 2.0
   80    76    79    53   0.33950  1.0 3.0
   80    76    84    85   0.15000  1.0 3.0
   80    76    84    86   0.15000  1.0 3.0
   80    76    84    87   0.15000  1.0 3.0
   84    76    79    53  -0.32850  1.0 1.0
   84    76    79    53  -0.35800 -1.0 2.0
   84    76    79    53   0.33950  1.0 3.0
   84    76    80    81   0.15000  1.0 3.0
   84    76    80    82   0.15000  1.0 3.0
   84    76    80    83   0.15000  1.0 3.0
   54    52    53    55   3.62500 -1.0 2.0
   54    52    53    79   3.62500 -1.0 2.0
   54    56    62    63   3.62500 -1.0 2.0
   54    56    62    69   3.62500 -1.0 2.0
   54    56    90    88   3.62500 -1.0 2.0
   54    56    90    91   3.62500 -1.0 2.0
   54    57    64    65   1.00000 -1.0 2.0
   54    57    64    71  -0.56150  1.0 1.0
   54    57    64    71   2.19150 -1.0 2.0
   56    54    57    58   7.00000 -1.0 2.0
   56    54    57    64   7.00000 -1.0 2.0
   56    62    69    70   3.62500 -1.0 2.0
   56    62    69    77   3.62500 -1.0 2.0
   62    56    90    88   3.62500 -1.0 2.0
   62    56    90    91   3.62500 -1.0 2.0
   62    69    77    78   3.62500 -1.0 2.0
   62    69   -77    88   3.62500 -1.0 2.0
   63    62    69    70   3.62500 -1.0 2.0
   63    62    69    77   3.62500 -1.0 2.0
   69    77    88    89   3.62500 -1.0 2.0
   69    77    88    90   3.62500 -1.0 2.0
   70    69    77    78   3.62500 -1.0 2.0
   70    69    77    88   3.62500 -1.0 2.0
   77    88   -90    56   3.62500 -1.0 2.0
   77    88    90    91   3.62500 -1.0 2.0
   78    77    88    89   3.62500 -1.0 2.0
   78    77    88    90   3.62500 -1.0 2.0
   89    88    90    56   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   90    56    62    63   3.62500 -1.0 2.0
   90    56   -62    69   3.62500 -1.0 2.0
   57    54    56    62   0.15800  1.0 1.0
   57    54    56    62   1.85350 -1.0 2.0
   57    54    56    62  -0.48700  1.0 3.0
   57    54    56    90   0.15800  1.0 1.0
   57    54    56    90   1.85350 -1.0 2.0
   57    54    56    90  -0.48700  1.0 3.0
   57    64   -71    51   2.00000 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    71   1.63100 -1.0 2.0
   65    64    71    51   3.00000 -1.0 2.0
   71    51    52    53   3.62500 -1.0 2.0
   71    51   -52    54   3.62500 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.05850 -1.0 2.0
   46    42    44    50   0.17250  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
   42    50    44    45  10.50000 -1.0 2.0
   51    59    50    44   4.00000 -1.0 2.0
   52    71    51    50   4.00000 -1.0 2.0
   53    54    52    51   4.00000 -1.0 2.0
   55    79    53    52   4.00000 -1.0 2.0
   59    60    55    53   4.00000 -1.0 2.0
   55    66    59    50   4.00000 -1.0 2.0
   55    61    60    67   1.10000 -1.0 2.0
   76    68    67    60   1.10000 -1.0 2.0
   52    56    54    57   1.10000 -1.0 2.0
   62    90    56    54   4.00000 -1.0 2.0
   69    63    62    56   1.10000 -1.0 2.0
   77    70    69    62   1.10000 -1.0 2.0
   88    78    77    69   1.10000 -1.0 2.0
   90    89    88    77   1.10000 -1.0 2.0
   88    91    90    56   1.10000 -1.0 2.0
   64    58    57    54   1.10000 -1.0 2.0
   57    71    64    65  10.50000 -1.0 2.0
END
