* LIGAND DATABASE FILE (OPLS2005)
*
001      96    97    166    216     453
    1     0 S   NP   _N1_     1    28.88610    97.30580   -20.00387
    2     1 S   H    _HN1     2     1.02964    81.21712    29.11814
    3     1 S   H    _H1_     3     1.02839    47.39628   152.13518
    4     1 S   H    _H2_     4     1.02780    79.58492   -81.47868
    5     1 S   CT   _CA1     5     1.50111   158.14447   153.36981
    6     5 S   HC   _HA1     6     1.09569   105.26968    58.23765
    7     5 S   CO3  _C1_     7     1.53799   112.34110   -62.06917
    8     7 S   O2Z  _O11     8     1.26353   115.00491   -44.41006
    9     7 S   O2Z  _O12     9     1.26228   114.94022   134.82913
   10     5 S   CT   _CB1    10     1.53088   107.43761   176.22249
   11    10 S   HC   HB11    11     1.09819   109.42899   -50.17449
   12    10 S   HC   HB12    12     1.09828   110.37685    66.40644
   13    10 S   CT   _CG1    13     1.53000   112.65328  -171.29196
   14    13 S   HC   HG11    14     1.09561   110.37933   -61.02587
   15    13 S   HC   HG12    15     1.09633   110.11913    58.14319
   16    13 S   C    _CD1    16     1.51797   112.19994   178.38481
   17    16 S   O    _OE1    17     1.22728   123.19536    -9.54372
   18    16 S   N    _N2_    18     1.38576   111.65261   170.97557
   19    18 S   H    _HN2    19     1.01591   119.08474     1.09593
   20    18 S   CT1  _CA2    20     1.46271   123.46677  -178.04545
   21    20 S   HC   _HA2    21     1.09728   109.37307   -12.06485
   22    20 S   C    _C2_    22     1.53442   108.61739  -127.81331
   23    22 S   O    _O2_    23     1.23016   122.25600  -148.37920
   24    20 S   CT   _CB2    32     1.53370   111.05424   109.94562
   25    24 S   HC   HB21    33     1.09568   109.41417    54.98210
   26    24 S   HC   HB22    34     1.09478   110.74145   173.62646
   27    22 S   N    _N3_    24     1.38516   113.44582    39.21665
   28    27 S   H    _HN3    25     1.01516   118.87002    -0.65521
   29    24 S   S    _SG2    35     1.83085   111.48126   -67.05662
   30    27 S   CT   _CA3    26     1.45437   123.43938   175.09551
   31    30 S   HC   HA31    27     1.09525   109.22110    24.76454
   32    30 S   HC   HA32    28     1.09495   107.12578   141.76575
   33    29 S   CT   _C11    36     1.84214    99.92566   144.62866
   34    33 S   HC   _H3_    37     1.09399   103.85998   -53.07028
   35    30 S   CO3  _C3_    29     1.52920   113.13054   -98.70265
   36    35 S   O2Z  _O31    30     1.26402   115.41159   -44.15211
   37    35 S   O2Z  _O32    31     1.26357   114.97630   136.80054
   38    33 S   CA   _C10    38     1.53150   111.08526  -169.76201
   39    33 S   CM   _C12    65     1.51572   110.60012    63.22801
   40    39 S   HC   _H8_    66     1.09037   115.43239    47.45246
   41    38 S   CA   _C5_    39     1.41700   122.70808   -69.22450
   42    39 S   CMA  _C13    67     1.35705   125.33156  -131.05933
   43    42 S   OM   _O39    68     1.26466   129.60917    -2.40338
   44    41 S   CA   _C6_    40     1.40725   120.44763  -178.93431
   45    44 S   HA   _H7_    41     1.08381   119.58670  -179.05685
   46    41 S   OS   _O33    60     1.37393   116.41587     2.07698
   47    42 S   CA   _C14    69     1.50253   110.72299   179.65622
   48    44 S   CA   _C7_    42     1.39738   121.10796     0.94915
   49    46 S   CT   _C4_    61     1.42132   118.26874  -174.27378
   50    49 S   HC   _H4_    62     1.09431   107.68795   175.90155
   51    49 S   HC   _H5_    63     1.09498   111.29523    58.19539
   52    49 S   HC   _H6_    64     1.09469   111.02698   -66.54550
   53    47 S   CA   _C15    70     1.41076   120.81979   102.98989
   54    48 S   CA   _C8_    43     1.39722   118.76086    -0.31590
   55    48 S   OS   _O42    55     1.37106   125.24547   179.64447
   56    53 S   CA   _C16    71     1.39998   120.86819  -177.71535
   57    53 S   OH   _O38    95     1.37323   121.59437     2.12891
   58    57 S   HO   _H21    96     0.97361   108.30150     8.52415
   59    38 S   CA   _C9_    44     1.41159   119.59007   110.63379
   60    54 S   OS   _O41    50     1.37486   119.17723  -179.58883
   61    55 S   CT   _C26    56     1.42197   117.39471    -0.22381
   62    61 S   HC   _H28    57     1.09429   107.73938  -179.79923
   63    61 S   HC   _H29    58     1.09494   111.13864    62.49493
   64    61 S   HC   _H30    59     1.09497   111.14881   -62.09156
   65    56 S   CA   _C17    72     1.39702   120.12503    -2.27245
   66    56 S   OS   _O37    90     1.37257   120.01390  -178.94242
   67    59 S   OS   _O40    45     1.37552   119.71041    -0.61992
   68    60 S   CT   _C25    51     1.42817   110.09667   -95.69547
   69    68 S   HC   _H25    52     1.09406   107.77270   177.64574
   70    68 S   HC   _H26    53     1.09565   111.29963    59.39102
   71    68 S   HC   _H27    54     1.09517   111.35769   -64.10250
   72    65 S   CA   _C18    73     1.39676   119.86210     3.83951
   73    65 S   OS   _O36    85     1.37171   120.01254  -179.98022
   74    66 S   CT   _C23    91     1.42793   110.02096   -91.16266
   75    74 S   HC   _H18    92     1.09407   107.79213   179.96044
   76    74 S   HC   _H19    93     1.09547   111.35768    61.66219
   77    74 S   HC   _H20    94     1.09550   111.27344   -61.80472
   78    67 S   CT   _C24    46     1.42924   110.57926  -101.09372
   79    78 S   HC   _H22    47     1.09405   107.71781   169.43690
   80    78 S   HC   _H23    48     1.09562   111.73969    51.00986
   81    78 S   HC   _H24    49     1.09435   111.08171   -72.52946
   82    47 S   CA   _C19    74     1.41277   121.01446   -76.33122
   83    72 S   OS   _O35    80     1.37218   119.56848   178.07258
   84    73 S   CT   _C22    86     1.42787   109.99603    92.31266
   85    84 S   HC   _H15    87     1.09406   107.79278  -179.84934
   86    84 S   HC   _H16    88     1.09548   111.29761    61.88776
   87    84 S   HC   _H17    89     1.09548   111.29485   -61.58639
   88    82 S   OS   _O34    75     1.37552   119.69031     0.50397
   89    83 S   CT   _C21    81     1.42789   110.03627   -93.83024
   90    89 S   HC   _H12    82     1.09405   107.78626   178.87395
   91    89 S   HC   _H13    83     1.09558   111.27086    60.62491
   92    89 S   HC   _H14    84     1.09535   111.34133   -62.85693
   93    88 S   CT   _C20    76     1.42777   110.44938   -99.09189
   94    93 S   HC   _H9_    77     1.09380   107.77104   171.35378
   95    93 S   HC   _H10    78     1.09538   111.82376    52.85716
   96    93 S   HC   _H11    79     1.09474   111.02902   -70.61513
  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   8   5   4   3
  13   6   2   1   1  14   8   3  12   8   3   9   4   6  11  10
   3   2   1   1  10  10   6  13   4   1   7   5   3   2   1   1
  12   6   4   3   2   1   1  10   6   3   2   1   1   3   2   1
   1   7   5   3   2   1   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    54    59    67    46    39    40    42    43    47  
   38    41    59    39    40    42  
   36    37  
   37  
    0  
   41    44    45    48    54    59    67    78    60    46    49    39    40    42  
   40    42    43    47    53    82    41    59  
   42    43    47  
   44    45    48    54    59    67    55    46    49    50    51    52  
   43    47    53    56    72    82    88    57  
   47    53    82  
   45    48    54    59    60    55    61    46    49  
   48    54    55    46  
   49    50    51    52    48    59  
   53    56    65    72    82    88    93    83    66    57    58  
   54    59    67    60    68    55    61    62    63    64  
   50    51    52  
   51    52  
   52  
    0  
   56    65    72    82    88    73    66    74    57    58  
   59    67    78    60    68    69    70    71    55    61  
   61    62    63    64    59    60  
   65    72    82    83    73    84    66    74    75    76    77    57    58  
   58    65    66    82  
    0  
   67    78    79    80    81    60    68  
   68    69    70    71    67  
   62    63    64  
   63    64  
   64  
    0  
   72    82    88    83    89    73    84    85    86    87    66    74  
   74    75    76    77    72    73  
   78    79    80    81  
   69    70    71  
   70    71  
   71  
    0  
   82    88    93    83    89    90    91    92    73    84  
   84    85    86    87    82    83  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   88    93    94    95    96    83    89  
   89    90    91    92    88  
   85    86    87  
   86    87  
   87  
    0  
   93    94    95    96  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96  
   95    96  
   96  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    44   469.000  1.400
   41    46   450.000  1.364
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    54   469.000  1.400
   48    55   450.000  1.364
   54    59   469.000  1.400
   54    60   450.000  1.364
   59    67   450.000  1.364
   67    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   60    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    47   320.000  1.460
   47    53   469.000  1.400
   47    82   469.000  1.400
   53    56   469.000  1.400
   53    57   450.000  1.364
   56    65   469.000  1.400
   56    66   450.000  1.364
   65    72   469.000  1.400
   65    73   450.000  1.364
   72    82   469.000  1.400
   72    83   450.000  1.364
   82    88   450.000  1.364
   88    93   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   83    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   66    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    44    63.00000  120.00000
   38    41    46    70.00000  120.00000
   38    59    54    63.00000  120.00000
   38    59    67    70.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    48    63.00000  120.00000
   41    46    49    75.00000  111.00000
   44    48    54    63.00000  120.00000
   44    48    55    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    54    59    63.00000  120.00000
   48    54    60    70.00000  120.00000
   48    55    61    75.00000  111.00000
   54    59    67    70.00000  120.00000
   54    60    68    75.00000  111.00000
   59    38    41    63.00000  120.00000
   59    67    78    75.00000  111.00000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   60    54    59    70.00000  120.00000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    48    54    70.00000  120.00000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   46    41    44    70.00000  120.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    47    60.00000  123.20500
   42    39    40    40.00000  120.50800
   42    47    53    60.00000  120.93500
   42    47    82    60.00000  120.93500
   47    42    43    85.00000  114.86500
   47    53    56    63.00000  120.00000
   47    53    57    70.00000  120.00000
   47    82    72    63.00000  120.00000
   47    82    88    70.00000  120.00000
   53    56    65    63.00000  120.00000
   53    56    66    70.00000  120.00000
   53    57    58    35.00000  113.00000
   56    65    72    63.00000  120.00000
   56    65    73    70.00000  120.00000
   56    66    74    75.00000  111.00000
   65    72    82    63.00000  120.00000
   65    72    83    70.00000  120.00000
   65    73    84    75.00000  111.00000
   72    82    88    70.00000  120.00000
   72    83    89    75.00000  111.00000
   82    47    53    63.00000  120.00000
   82    88    93    75.00000  111.00000
   88    93    94    35.00000  109.50000
   88    93    95    35.00000  109.50000
   88    93    96    35.00000  109.50000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   83    72    82    70.00000  120.00000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    65    72    70.00000  120.00000
   73    84    85    35.00000  109.50000
   73    84    86    35.00000  109.50000
   73    84    87    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
   66    56    65    70.00000  120.00000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    53    56    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    59    54   3.62500 -1.0 2.0
   33    38    59    67   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    48   3.62500 -1.0 2.0
   38    41    46    49   1.63200 -1.0 2.0
   38    59    67    78   1.63200 -1.0 2.0
   41    38    59    54   3.62500 -1.0 2.0
   41    38    59    67   3.62500 -1.0 2.0
   41    44   -48    54   3.62500 -1.0 2.0
   41    44    48    55   3.62500 -1.0 2.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51   0.08050  1.0 3.0
   41    46    49    52   0.08050  1.0 3.0
   44    41    46    49   1.63200 -1.0 2.0
   44    48    54    59   3.62500 -1.0 2.0
   44    48    54    60   3.62500 -1.0 2.0
   44    48    55    61   1.63200 -1.0 2.0
   45    44    48    54   3.62500 -1.0 2.0
   45    44    48    55   3.62500 -1.0 2.0
   48    54   -59    38   3.62500 -1.0 2.0
   48    54    59    67   3.62500 -1.0 2.0
   48    54    60    68   1.63200 -1.0 2.0
   48    55    61    62   0.08050  1.0 3.0
   48    55    61    63   0.08050  1.0 3.0
   48    55    61    64   0.08050  1.0 3.0
   54    48    55    61   1.63200 -1.0 2.0
   54    59    67    78   1.63200 -1.0 2.0
   54    60    68    69   0.08050  1.0 3.0
   54    60    68    70   0.08050  1.0 3.0
   54    60    68    71   0.08050  1.0 3.0
   59    38   -41    44   3.62500 -1.0 2.0
   59    38    41    46   3.62500 -1.0 2.0
   59    54    60    68   1.63200 -1.0 2.0
   59    67    78    79   0.08050  1.0 3.0
   59    67    78    80   0.08050  1.0 3.0
   59    67    78    81   0.08050  1.0 3.0
   60    54    59    38   3.62500 -1.0 2.0
   60    54    59    67   3.62500 -1.0 2.0
   55    48    54    59   3.62500 -1.0 2.0
   55    48    54    60   3.62500 -1.0 2.0
   46    41    44    45   3.62500 -1.0 2.0
   46    41    44    48   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    42    47    53   0.15800  1.0 1.0
   39    42    47    53   1.85350 -1.0 2.0
   39    42    47    53  -0.48700  1.0 3.0
   39    42    47    82   0.15800  1.0 1.0
   39    42    47    82   1.85350 -1.0 2.0
   39    42    47    82  -0.48700  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    47   7.00000 -1.0 2.0
   42    47    53    56   3.62500 -1.0 2.0
   42    47    53    57   3.62500 -1.0 2.0
   42    47    82    72   3.62500 -1.0 2.0
   42    47    82    88   3.62500 -1.0 2.0
   43    42    47    53  -0.01750  1.0 1.0
   43    42    47    53  -0.32000 -1.0 2.0
   43    42    47    53   0.00600  1.0 3.0
   43    42    47    82  -0.01750  1.0 1.0
   43    42    47    82  -0.32000 -1.0 2.0
   43    42    47    82   0.00600  1.0 3.0
   47    53    56    65   3.62500 -1.0 2.0
   47    53    56    66   3.62500 -1.0 2.0
   47    53    57    58   0.84100 -1.0 2.0
   47    82    88    93   1.63200 -1.0 2.0
   53    47    82    72   3.62500 -1.0 2.0
   53    47    82    88   3.62500 -1.0 2.0
   53    56   -65    72   3.62500 -1.0 2.0
   53    56    65    73   3.62500 -1.0 2.0
   53    56    66    74   1.63200 -1.0 2.0
   56    53    57    58   0.84100 -1.0 2.0
   56    65    72    82   3.62500 -1.0 2.0
   56    65    72    83   3.62500 -1.0 2.0
   56    65    73    84   1.63200 -1.0 2.0
   56    66    74    75   0.08050  1.0 3.0
   56    66    74    76   0.08050  1.0 3.0
   56    66    74    77   0.08050  1.0 3.0
   65    56    66    74   1.63200 -1.0 2.0
   65    72   -82    47   3.62500 -1.0 2.0
   65    72    82    88   3.62500 -1.0 2.0
   65    72    83    89   1.63200 -1.0 2.0
   65    73    84    85   0.08050  1.0 3.0
   65    73    84    86   0.08050  1.0 3.0
   65    73    84    87   0.08050  1.0 3.0
   72    65    73    84   1.63200 -1.0 2.0
   72    82    88    93   1.63200 -1.0 2.0
   72    83    89    90   0.08050  1.0 3.0
   72    83    89    91   0.08050  1.0 3.0
   72    83    89    92   0.08050  1.0 3.0
   82    47   -53    56   3.62500 -1.0 2.0
   82    47    53    57   3.62500 -1.0 2.0
   82    72    83    89   1.63200 -1.0 2.0
   82    88    93    94   0.08050  1.0 3.0
   82    88    93    95   0.08050  1.0 3.0
   82    88    93    96   0.08050  1.0 3.0
   83    72    82    47   3.62500 -1.0 2.0
   83    72    82    88   3.62500 -1.0 2.0
   73    65    72    82   3.62500 -1.0 2.0
   73    65    72    83   3.62500 -1.0 2.0
   66    56    65    72   3.62500 -1.0 2.0
   66    56    65    73   3.62500 -1.0 2.0
   57    53    56    65   3.62500 -1.0 2.0
   57    53    56    66   3.62500 -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
   41    59    38    33   4.00000 -1.0 2.0
   44    46    41    38   4.00000 -1.0 2.0
   48    45    44    41   1.10000 -1.0 2.0
   54    55    48    44   4.00000 -1.0 2.0
   59    60    54    48   4.00000 -1.0 2.0
   54    67    59    38   4.00000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   47    43    42    39  15.00000 -1.0 2.0
   53    82    47    42   4.00000 -1.0 2.0
   56    57    53    47   4.00000 -1.0 2.0
   65    66    56    53   4.00000 -1.0 2.0
   72    73    65    56   4.00000 -1.0 2.0
   82    83    72    65   4.00000 -1.0 2.0
   72    88    82    47   4.00000 -1.0 2.0
END
