* LIGAND DATABASE FILE (OPLS2005)
*
001      92    96    172    285     505
    1     0 S   NP   _N1_     1    29.57158    94.37280   -17.40921
    2     1 S   H    _HN1     2     1.02872   103.20628    21.36717
    3     1 S   H    _H1_     3     1.02961    48.96843   122.95610
    4     1 S   H    _H2_     4     1.02799    62.70764   -82.50028
    5     1 S   CT   _CA1     5     1.50495   144.43184  -172.80274
    6     5 S   HC   _HA1     6     1.09691   104.67057    16.66676
    7     5 S   CO3  _C1_     7     1.54414   110.79217   -99.33020
    8     7 S   O2Z  _O11     8     1.26074   116.62760  -113.99245
    9     7 S   O2Z  _O12     9     1.26528   113.79179    64.64459
   10     5 S   CT   _CB1    10     1.53117   107.02079   132.58558
   11    10 S   HC   HB11    11     1.09829   109.76995   -44.49588
   12    10 S   HC   HB12    12     1.09793   110.29806    72.11378
   13    10 S   CT   _CG1    13     1.53075   112.40213  -165.23098
   14    13 S   HC   HG11    14     1.09463   110.66705   -56.20182
   15    13 S   HC   HG12    15     1.09634   110.08346    62.60259
   16    13 S   C    _CD1    16     1.51827   111.85998  -177.74953
   17    16 S   O    _OE1    17     1.22760   122.96514   -19.28404
   18    16 S   N    _N2_    18     1.38515   111.96956   161.83355
   19    18 S   H    _HN2    19     1.01630   119.06132    -0.92894
   20    18 S   CT1  _CA2    20     1.46144   123.54304  -178.55004
   21    20 S   HC   _HA2    21     1.09734   109.26577   -16.17786
   22    20 S   C    _C2_    22     1.53416   108.25900  -131.82727
   23    22 S   O    _O2_    23     1.23010   122.28101  -146.09953
   24    20 S   CT   _CB2    32     1.53538   111.57537   105.97538
   25    24 S   HC   HB21    33     1.09308   110.00827    57.51012
   26    24 S   HC   HB22    34     1.09557   110.08931   174.86416
   27    22 S   N    _N3_    24     1.38526   113.33282    41.33557
   28    27 S   H    _HN3    25     1.01529   118.89037    -0.70582
   29    24 S   S    _SG2    35     1.83147   111.81531   -67.20464
   30    27 S   CT   _CA3    26     1.45450   123.44829   175.04678
   31    30 S   HC   HA31    27     1.09523   109.22738    24.43890
   32    30 S   HC   HA32    28     1.09495   107.11853   141.44417
   33    29 S   CT   _C20    36     1.88197   102.36116   125.77685
   34    30 S   CO3  _C3_    29     1.52930   113.14749   -99.03188
   35    34 S   O2Z  _O31    30     1.26402   115.42839   -43.81259
   36    34 S   O2Z  _O32    31     1.26361   114.97313   137.14026
   37    33 S   C5B  _C21    37     1.51380   109.94327    56.96041
   38    33 S   C    _C19    52     1.52965   105.34838   -68.44622
   39    38 S   O    _O34    53     1.22317   127.14859    81.47207
   40    37 S   C5A  _C22    38     1.38524   127.39723  -118.48933
   41    40 S   HA   _H23    39     1.08106   131.47444    -0.13562
   42    38 S   N    _N6_    54     1.37310   107.96970   -95.49691
   43    42 S   H    _H22    55     1.01726   122.92003   172.88148
   44    40 S   NA   _N7_    40     1.36673   109.18165   178.71184
   45    44 S   H    _H24    41     1.01050   124.88924  -178.56455
   46    42 S   C    _C18    56     1.36828   114.22141    -6.63613
   47    46 S   O    _O33    57     1.22210   126.70417   175.55248
   48    44 S   C56A _C23    42     1.37178   110.22672     2.06980
   49    33 S   CT   _C17    58     1.56273   107.58374  -176.87162
   50    49 S   HC   _H3_    59     1.09676   110.95232   -24.63667
   51    48 S   CA   _C28    43     1.39979   129.83928   178.69164
   52    51 S   HA   _H28    44     1.08497   121.45280     0.06853
   53    49 S   C5B  _C10    60     1.50974   117.02213  -150.21304
   54    51 S   CA   _C27    45     1.39633   117.70194  -179.89347
   55    54 S   HA   _H27    46     1.08705   119.50948   179.89721
   56    53 S   C5A  _C9_    61     1.38263   127.34320   -53.99844
   57    56 S   HA   _H17    62     1.08239   130.49394     0.64011
   58    54 S   CA   _C26    47     1.39132   120.87012    -0.32021
   59    58 S   HA   _H26    48     1.08685   119.79276  -179.85873
   60    56 S   NA   _N5_    63     1.36977   108.73855   179.55369
   61    58 S   CA   _C25    49     1.39941   120.68412    -0.00000
   62    61 S   HA   _H25    50     1.08597   119.25688  -179.88465
   63    60 S   C56A _C12    64     1.37779   110.20716     2.40957
   64    60 S   CT   _C8_    74     1.45359   123.93302  -177.82894
   65    64 S   HC   _H15    75     1.09613   107.09059  -130.43376
   66    64 S   HC   _H16    76     1.09643   107.97122   -15.44973
   67    37 S   C56B _C24    51     1.44540   126.96158    62.11488
   68    63 S   CA   _C13    65     1.40451   131.15004   178.26134
   69    68 S   HA   _H18    66     1.08510   121.53379    -0.81132
   70    64 S   CT   _C7_    77     1.53290   113.88602   107.32187
   71    70 S   HC   _H13    78     1.09468   109.44089    62.18545
   72    70 S   HC   _H14    79     1.09552   107.73694   177.98831
   73    68 S   CA   _C14    67     1.39684   118.24529   179.25454
   74    73 S   HA   _H19    68     1.08704   119.48013  -179.91377
   75    70 S   CT   _C6_    80     1.52741   112.38811   -60.45787
   76    75 S   HC   _H11    81     1.09565   111.39606   -59.16273
   77    75 S   HC   _H12    82     1.09367   111.41975    61.74285
   78    73 S   CA   _C15    69     1.39006   120.87061     0.20174
   79    78 S   HA   _H20    70     1.08672   119.83211   179.90309
   80    75 S   NP   _N4_    83     1.51344   112.90779  -179.22545
   81    80 S   H    _H7_    84     1.02873   104.69156  -179.46405
   82    78 S   CA   _C16    71     1.39821   120.56499     0.15826
   83    82 S   HA   _H21    72     1.08637   119.42658   179.62570
   84    80 S   CT   _C4_    85     1.50382   113.99207   -65.02540
   85    84 S   HC   _H4_    86     1.09251   109.04700    72.86764
   86    84 S   HC   _H5_    87     1.09334   107.75448  -167.15709
   87    84 S   HC   _H6_    88     1.09275   108.30839   -48.28253
   88    80 S   CT   _C5_    89     1.50260   114.18076    65.85491
   89    88 S   HC   _H8_    90     1.09247   109.07250   -71.73799
   90    88 S   HC   _H9_    91     1.09293   108.22643    49.44851
   91    88 S   HC   _H10    92     1.09339   107.78694   168.26414
   92    53 S   C56B _C11    73     1.43595   126.24644   127.59649
  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  11   5   4   3
  18   2   1   1  17  10   4   8   4   6   3   7   3   6   3   8
   9   3   7   4  10   6   3  10   4   4   3  13   2   1  12  11
   5   4   1   7   4   9   5   4   6   3  12   5   4   4   3   9
   8   2   1   7   3   2   1   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    67    38    39    42    46    49    50    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    48    61    67    38    39    42    43    46    47    49    50    53    56    92  
   35    36  
   36  
    0  
   40    41    44    45    48    51    58    61    62    67    38    39    42    46    49    50    53  
   39    42    43    46    47    49    50    53    40    67  
   42    43    46    49  
   41    44    45    48    51    61    67    49  
   44    45    48    67  
   43    46    47    49    50    53  
   46    47    49  
   45    48    51    52    54    61    67  
   48    51    67  
   47    49    50    53    56    92  
   49    50    53  
   51    52    54    55    58    61    62    67  
   50    53    56    57    60    63    82    92    67  
   53    56    92  
   52    54    55    58    59    61    67  
   54    55    58    67  
   56    57    60    63    68    78    82    83    92    64  
   55    58    59    61    62    67  
   58    59    61  
   57    60    63    68    82    92    64    65    66    70  
   60    63    92    64  
   59    61    62    67  
   61    62    67  
   63    68    69    73    82    92    64    65    66    70    71    72    75  
   62    67  
   67  
   68    69    73    74    78    82    83    92    64    65    66    70  
   65    66    70    71    72    75    76    77    80    68    92  
   66    70    71    72    75  
   70    71    72    75  
    0  
   69    73    74    78    79    82    92  
   73    74    78    92  
   71    72    75    76    77    80    81    84    88  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    82    83    92  
   78    79    82  
   76    77    80    81    84    85    86    87    88    89    90    91  
   77    80    81    84    88  
   80    81    84    88  
   79    82    83    92  
   82    83    92  
   81    84    85    86    87    88    89    90    91  
   84    85    86    87    88    89    90    91  
   83    92  
   92  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
    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  -0.175000   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   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   42   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   45   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   61   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   81   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   295.000  1.494
   33    38   317.000  1.522
   33    49   268.000  1.529
   37    40   520.000  1.370
   37    67   380.000  1.440
   40    41   367.000  1.080
   40    44   427.000  1.381
   44    45   434.000  1.010
   44    48   428.000  1.380
   48    51   469.000  1.400
   48    67   447.000  1.419
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    62   367.000  1.080
   61    67   469.000  1.404
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    43   434.000  1.010
   42    46   490.000  1.335
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    53   295.000  1.494
   53    56   520.000  1.370
   53    92   380.000  1.440
   56    57   367.000  1.080
   56    60   427.000  1.381
   60    63   428.000  1.380
   60    64   320.000  1.443
   63    68   469.000  1.400
   63    92   447.000  1.419
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    82   469.000  1.400
   82    83   367.000  1.080
   82    92   469.000  1.404
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   367.000  1.471
   80    81   434.000  1.010
   80    84   367.000  1.471
   80    88   367.000  1.471
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    70.00000  112.33000
   29    33    49    75.00000  111.63000
   33    37    40    55.00000  127.77900
   33    37    67    55.00000  128.73000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.60000
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    70.00000  112.62400
   37    40    41    35.00000  130.70000
   37    40    44    70.00000  106.30000
   37    67    48    80.00000  107.43600
   37    67    61    50.00000  134.85500
   40    44    45    35.00000  120.00000
   40    44    48    90.00000  107.14200
   44    40    41    35.00000  121.60000
   44    48    51    70.00000  132.80000
   44    48    67    70.00000  104.40000
   48    44    45    35.00000  123.10000
   48    51    52    35.00000  120.00000
   48    51    54    85.00000  120.00000
   48    67    61    85.00000  116.20000
   51    54    55    35.00000  120.00000
   51    54    58    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    61    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    67    63.00000  120.00000
   61    58    59    35.00000  120.00000
   67    37    40    80.00000  105.82900
   67    48    51    85.00000  122.70000
   67    61    62    35.00000  120.00000
   38    33    37    70.00000  109.44300
   38    42    43    35.00000  119.80000
   38    42    46    70.00000  121.37400
   42    38    39    80.00000  122.90000
   42    46    47    80.00000  122.90000
   42    46    49    70.00000  116.60000
   46    42    43    35.00000  119.80000
   46    49    50    35.00000  109.50000
   46    49    53    70.00000  109.44300
   49    33    37    70.00000  112.62400
   49    33    38    63.00000  111.10000
   49    46    47    80.00000  120.40000
   49    53    56    55.00000  127.77900
   49    53    92    55.00000  128.73000
   53    49    50    45.00000  111.11700
   53    56    57    35.00000  130.70000
   53    56    60    70.00000  106.30000
   53    92    63    80.00000  107.43600
   53    92    82    50.00000  134.85500
   56    60    63    90.00000  107.14200
   56    60    64    65.00000  127.50000
   60    56    57    35.00000  121.60000
   60    63    68    70.00000  132.80000
   60    63    92    70.00000  104.40000
   60    64    65    50.00000  108.61900
   60    64    66    50.00000  108.61900
   60    64    70    75.00000  111.19500
   63    68    69    35.00000  120.00000
   63    68    73    85.00000  120.00000
   63    92    82    85.00000  116.20000
   68    73    74    35.00000  120.00000
   68    73    78    63.00000  120.00000
   73    68    69    35.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    82    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    82    83    35.00000  120.00000
   78    82    92    63.00000  120.00000
   82    78    79    35.00000  120.00000
   92    53    56    80.00000  105.82900
   92    63    68    85.00000  122.70000
   92    82    83    35.00000  120.00000
   64    60    63    65.00000  128.16600
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    80.00000  111.20000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    35.00000  109.50000
   75    80    84    75.00000  113.01200
   75    80    88    75.00000  113.01200
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   80    88    89    35.00000  109.50000
   80    88    90    35.00000  109.50000
   80    88    91    35.00000  109.50000
   84    80    81    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    80    81    35.00000  109.50000
   88    80    84    75.00000  113.01200
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    67  -0.16000  1.0 1.0
   29    33    37    67  -0.03200 -1.0 2.0
   29    33    37    67   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.56750  1.0 1.0
   29    33    49    53  -0.07550 -1.0 2.0
   29    33    49    53   0.20000  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    67    48   3.62500 -1.0 2.0
   33    37    67    61   3.62500 -1.0 2.0
   33    38    42    43   2.45000 -1.0 2.0
   33    38   -42    46   2.45000 -1.0 2.0
   33    49    53    56   0.04150 -1.0 2.0
   33    49    53    92   0.04150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.00000  1.0 1.0
   37    33    49    46   0.56750  1.0 1.0
   37    33    49    46  -0.07550 -1.0 2.0
   37    33    49    46   0.20000  1.0 3.0
   37    33    49    50   0.43200  1.0 3.0
   37    33    49    53  -0.94300  1.0 1.0
   37    33    49    53   1.32550 -1.0 2.0
   37    33    49    53  -0.07100  1.0 3.0
   37    40    44    45   1.40000 -1.0 2.0
   37    40   -44    48   3.62500 -1.0 2.0
   40    37   -67    48   3.50000 -1.0 2.0
   40    37    67    61   3.62500 -1.0 2.0
   40    44    48    51   3.62500 -1.0 2.0
   40    44   -48    67   3.62500 -1.0 2.0
   41    40    44    45   2.00000 -1.0 2.0
   41    40    44    48   3.62500 -1.0 2.0
   44    48    51    52   3.62500 -1.0 2.0
   44    48    51    54   3.62500 -1.0 2.0
   44    48   -67    37   3.00000 -1.0 2.0
   44    48    67    61   3.00000 -1.0 2.0
   45    44    48    51   1.52500 -1.0 2.0
   45    44    48    67   1.52500 -1.0 2.0
   48    51    54    55   3.62500 -1.0 2.0
   48    51    54    58   3.62500 -1.0 2.0
   51    48    67    37   3.00000 -1.0 2.0
   51    48    67    61   3.00000 -1.0 2.0
   51    54    58    59   3.62500 -1.0 2.0
   51    54   -58    61   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    58   3.62500 -1.0 2.0
   54    58    61    62   3.62500 -1.0 2.0
   54    58    61    67   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    61    67    37   3.62500 -1.0 2.0
   58    61   -67    48   3.50000 -1.0 2.0
   59    58    61    62   3.62500 -1.0 2.0
   59    58    61    67   3.62500 -1.0 2.0
   62    61    67    37   3.62500 -1.0 2.0
   62    61    67    48   3.50000 -1.0 2.0
   67    37    40    41   3.62500 -1.0 2.0
   67    37   -40    44   3.62500 -1.0 2.0
   67    48    51    52   3.62500 -1.0 2.0
   67    48   -51    54   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    67   0.04300 -1.0 2.0
   38    33   -49    46   0.11950  1.0 1.0
   38    33   -49    46   0.20300 -1.0 2.0
   38    33   -49    46  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    53   0.56750  1.0 1.0
   38    33    49    53  -0.07550 -1.0 2.0
   38    33    49    53   0.20000  1.0 3.0
   38    42    46    47   2.22250 -1.0 2.0
   38    42   -46    49   2.45000 -1.0 2.0
   39    38    42    43   2.45000 -1.0 2.0
   39    38    42    46   2.22250 -1.0 2.0
   42    46   -49    33   1.39750  1.0 1.0
   42    46   -49    33  -0.07950 -1.0 2.0
   42    46   -49    33  -0.18750  1.0 3.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.00000  1.0 1.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    49   2.45000 -1.0 2.0
   46    49    53    56   0.04300 -1.0 2.0
   46    49    53    92   0.04300 -1.0 2.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.30150 -1.0 2.0
   49    33    37    40   0.04150 -1.0 2.0
   49    33    37    67   0.04150 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    42   1.39750  1.0 1.0
   49    33   -38    42  -0.07950 -1.0 2.0
   49    33   -38    42  -0.18750  1.0 3.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53    56    60   3.62500 -1.0 2.0
   49    53    92    63   3.62500 -1.0 2.0
   49    53    92    82   3.62500 -1.0 2.0
   50    49    53    56   0.00000  1.0 1.0
   50    49    53    92   0.00000  1.0 1.0
   53    56   -60    63   3.62500 -1.0 2.0
   53    56    60    64   3.62500 -1.0 2.0
   56    53   -92    63   3.50000 -1.0 2.0
   56    53    92    82   3.62500 -1.0 2.0
   56    60    63    68   3.62500 -1.0 2.0
   56    60   -63    92   3.62500 -1.0 2.0
   56    60    64    65   0.00000  1.0 1.0
   56    60    64    66   0.00000  1.0 1.0
   56    60    64    70   1.10250  1.0 1.0
   56    60    64    70   0.01650 -1.0 2.0
   56    60    64    70   0.39100  1.0 3.0
   57    56    60    63   3.62500 -1.0 2.0
   57    56    60    64   3.62500 -1.0 2.0
   60    63    68    69   3.62500 -1.0 2.0
   60    63    68    73   3.62500 -1.0 2.0
   60    63   -92    53   3.00000 -1.0 2.0
   60    63    92    82   3.00000 -1.0 2.0
   60    64    70    71   0.15000  1.0 3.0
   60    64    70    72   0.15000  1.0 3.0
   60    64    70    75  -0.64600  1.0 1.0
   60    64    70    75   0.58400 -1.0 2.0
   63    60    64    65   0.00000  1.0 1.0
   63    60    64    66   0.00000  1.0 1.0
   63    60    64    70   1.10250  1.0 1.0
   63    60    64    70   0.01650 -1.0 2.0
   63    60    64    70   0.39100  1.0 3.0
   63    68    73    74   3.62500 -1.0 2.0
   63    68    73    78   3.62500 -1.0 2.0
   68    63    92    53   3.00000 -1.0 2.0
   68    63    92    82   3.00000 -1.0 2.0
   68    73    78    79   3.62500 -1.0 2.0
   68    73   -78    82   3.62500 -1.0 2.0
   69    68    73    74   3.62500 -1.0 2.0
   69    68    73    78   3.62500 -1.0 2.0
   73    78    82    83   3.62500 -1.0 2.0
   73    78    82    92   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    82   3.62500 -1.0 2.0
   78    82    92    53   3.62500 -1.0 2.0
   78    82   -92    63   3.50000 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    78    82    92   3.62500 -1.0 2.0
   83    82    92    53   3.62500 -1.0 2.0
   83    82    92    63   3.50000 -1.0 2.0
   92    53    56    57   3.62500 -1.0 2.0
   92    53   -56    60   3.62500 -1.0 2.0
   92    63    68    69   3.62500 -1.0 2.0
   92    63   -68    73   3.62500 -1.0 2.0
   64    60    63    68   3.62500 -1.0 2.0
   64    60    63    92   3.62500 -1.0 2.0
   64    70    75    76   0.15000  1.0 3.0
   64    70    75    77   0.15000  1.0 3.0
   64    70    75    80   1.36600  1.0 1.0
   64    70    75    80  -0.11450 -1.0 2.0
   64    70    75    80   0.24250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    75   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    75   0.15000  1.0 3.0
   70    75    80    81   0.17350  1.0 3.0
   70    75    80    84   0.47100  1.0 1.0
   70    75    80    88   0.47100  1.0 1.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.19200  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.19200  1.0 3.0
   75    80    84    85   0.15000  1.0 3.0
   75    80    84    86   0.15000  1.0 3.0
   75    80    84    87   0.15000  1.0 3.0
   75    80    88    89   0.15000  1.0 3.0
   75    80    88    90   0.15000  1.0 3.0
   75    80    88    91   0.15000  1.0 3.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    84   0.15000  1.0 3.0
   76    75    80    88   0.15000  1.0 3.0
   77    75    80    81   0.13050  1.0 3.0
   77    75    80    84   0.15000  1.0 3.0
   77    75    80    88   0.15000  1.0 3.0
   81    80    84    85   0.13050  1.0 3.0
   81    80    84    86   0.13050  1.0 3.0
   81    80    84    87   0.13050  1.0 3.0
   81    80    88    89   0.13050  1.0 3.0
   81    80    88    90   0.13050  1.0 3.0
   81    80    88    91   0.13050  1.0 3.0
   84    80    88    89   0.15000  1.0 3.0
   84    80    88    90   0.15000  1.0 3.0
   84    80    88    91   0.15000  1.0 3.0
   88    80    84    85   0.15000  1.0 3.0
   88    80    84    86   0.15000  1.0 3.0
   88    80    84    87   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    67    37    33   4.00000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   45    40    44    48   1.00000 -1.0 2.0
   51    67    48    44   4.00000 -1.0 2.0
   54    52    51    48   1.10000 -1.0 2.0
   58    55    54    51   1.10000 -1.0 2.0
   61    59    58    54   1.10000 -1.0 2.0
   67    62    61    58   1.10000 -1.0 2.0
   48    61    67    37   4.00000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   43    38    42    46   1.00000 -1.0 2.0
   42    49    46    47  10.50000 -1.0 2.0
   56    92    53    49   4.00000 -1.0 2.0
   60    57    56    53   1.10000 -1.0 2.0
   63    64    60    56   4.00000 -1.0 2.0
   68    92    63    60   4.00000 -1.0 2.0
   73    69    68    63   1.10000 -1.0 2.0
   78    74    73    68   1.10000 -1.0 2.0
   82    79    78    73   1.10000 -1.0 2.0
   92    83    82    78   1.10000 -1.0 2.0
   63    82    92    53   4.00000 -1.0 2.0
END
