* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    162    230     469
    1     0 S   NP   _N1_     1    28.78807    93.98098   -21.99233
    2     1 S   H    _HN1     2     1.02921    84.37149    24.41429
    3     1 S   H    _H1_     3     1.03146    32.17369   159.72563
    4     1 S   H    _H2_     4     1.02723    94.70153   -83.88427
    5     1 S   CT   _CA1     5     1.50004   141.16171   140.41839
    6     5 S   HC   _HA1     6     1.09562   105.15291    67.87933
    7     5 S   CO3  _C1_     7     1.53888   112.46060   -52.16806
    8     7 S   O2Z  _O11     8     1.26380   114.97307   -38.73099
    9     7 S   O2Z  _O12     9     1.26238   114.98028   140.51812
   10     5 S   CT   _CB1    10     1.53079   107.66093  -174.29360
   11    10 S   HC   HB11    11     1.09801   109.59573   -49.27481
   12    10 S   HC   HB12    12     1.09801   110.43777    67.60454
   13    10 S   CT   _CG1    13     1.52863   112.14599  -170.23922
   14    13 S   HC   HG11    14     1.09427   110.01555   -62.98236
   15    13 S   HC   HG12    15     1.09666   110.03651    55.91016
   16    13 S   C    _CD1    16     1.51728   112.93334   176.63751
   17    16 S   O    _OE1    17     1.22683   123.41151    -4.05792
   18    16 S   N    _N2_    18     1.38571   111.30795   176.51845
   19    18 S   H    _HN2    19     1.01795   118.68463     1.20089
   20    18 S   CT1  _CA2    20     1.46138   123.99385  -178.73762
   21    20 S   HC   _HA2    21     1.09723   109.46355     2.02642
   22    20 S   C    _C2_    22     1.53497   108.66136  -113.88850
   23    22 S   O    _O2_    23     1.23061   122.14068  -145.31133
   24    20 S   CT   _CB2    32     1.53458   110.91339   124.05722
   25    24 S   HC   HB21    33     1.09274   109.30342    57.16536
   26    24 S   HC   HB22    34     1.09475   110.43176   175.24148
   27    22 S   N    _N3_    24     1.38483   113.64430    42.09181
   28    27 S   H    _HN3    25     1.01486   118.94050    -0.59643
   29    24 S   S    _SG2    35     1.82843   111.07295   -65.88252
   30    27 S   CT   _CA3    26     1.45446   123.50267   175.45602
   31    30 S   HC   HA31    27     1.09521   109.31617    23.25080
   32    30 S   HC   HA32    28     1.09502   107.10268   140.21351
   33    29 S   CT   _C20    36     1.85450   102.34711   145.08113
   34    33 S   OM   _O40    37     1.32099   108.89876   175.53187
   35    30 S   CO3  _C3_    29     1.52905   113.03859  -100.31194
   36    35 S   O2Z  _O31    30     1.26410   115.35818   -47.04499
   37    35 S   O2Z  _O32    31     1.26355   115.03605   133.90763
   38    33 S   CT   _C19    38     1.55856   112.15631   -65.42531
   39    38 S   HC   _H21    39     1.10121   109.48225  -175.22829
   40    38 S   HC   _H22    40     1.09590   109.53972    69.45806
   41    33 S   CT   _C21    82     1.55794   111.25779    56.19308
   42    41 S   HC   _H23    83     1.09829   108.45260   -72.67111
   43    41 S   HC   _H24    84     1.10099   110.76284   172.34516
   44    38 S   CO4  _C18    41     1.53704   119.08799   -53.37927
   45    44 S   O    _O38    42     1.22999   124.05565    -0.86185
   46    41 S   CO4  _C22    85     1.52988   117.13492    50.43945
   47    46 S   O    _O39    86     1.22425   124.87647    40.02348
   48    44 S   CT   _C17    43     1.51525   116.04195   179.37568
   49    48 S   HC   _H19    44     1.09543   108.19780   164.48730
   50    48 S   HC   _H20    45     1.09482   108.22212    47.85908
   51    46 S   S    _S1_    87     1.77180   113.46705  -143.06008
   52    48 S   CO4  _C16    46     1.51411   114.94089   -74.48451
   53    52 S   O    _O37    47     1.23021   122.00930    -3.02310
   54    51 S   CT   _C23    88     1.80583   100.14732   170.82862
   55    54 S   HC   _H25    89     1.09324   109.27199  -178.08000
   56    54 S   HC   _H26    90     1.09335   110.57094    62.59501
   57    54 S   HC   _H27    91     1.09344   110.48638   -58.74710
   58    52 S   CT   _C15    48     1.52352   115.58255   177.12642
   59    58 S   HC   _H17    49     1.09588   106.68395   -55.64420
   60    58 S   HC   _H18    50     1.09510   107.16235    61.40828
   61    58 S   CT   _C14    51     1.53053   112.85526  -176.34923
   62    61 S   HC   _H3_    52     1.09671   109.81404    40.65536
   63    61 S   CT   _C13    53     1.52927   113.02715   161.27533
   64    63 S   HC   _H15    54     1.09623   110.70270   177.31854
   65    63 S   HC   _H16    55     1.09660   110.08405   -64.98089
   66    61 S   OH   _O41    80     1.42631   109.11512   -76.44926
   67    66 S   HO   _H28    81     0.97253   107.49197   169.53856
   68    63 S   CO4  _C12    56     1.51802   113.58072    55.82593
   69    68 S   O    _O36    57     1.23197   120.86885   -95.64136
   70    68 S   CT   _C11    58     1.51215   117.81145    84.11796
   71    70 S   HC   _H13    59     1.09442   109.54045     2.60151
   72    70 S   HC   _H14    60     1.09523   107.38335   119.51202
   73    70 S   CO4  _C10    61     1.51251   114.88819  -119.21421
   74    73 S   O    _O35    62     1.22918   122.38159     2.34510
   75    73 S   CT   _C9_    63     1.51181   115.79942  -176.83498
   76    75 S   HC   _H11    64     1.09530   108.21993    72.04243
   77    75 S   HC   _H12    65     1.09503   109.42321   -45.19388
   78    75 S   CO4  _C8_    66     1.51170   114.54693  -166.61917
   79    78 S   O    _O34    67     1.23068   120.97486  -105.45395
   80    78 S   CT   _C7_    68     1.51232   116.73768    73.50452
   81    80 S   HC   _H9_    69     1.09497   109.41862    46.40776
   82    80 S   HC   _H10    70     1.09415   108.36888   -70.99257
   83    80 S   CO4  _C6_    71     1.51269   114.65881   167.65760
   84    83 S   O    _O33    72     1.23133   120.88941   109.59980
   85    83 S   CT   _C5_    73     1.51984   116.66371   -71.27529
   86    85 S   HC   _H7_    74     1.09417   108.75326    60.36850
   87    85 S   HC   _H8_    75     1.09505   108.11688   -57.41335
   88    85 S   CT   _C4_    76     1.51836   112.51044  -178.30904
   89    88 S   HC   _H4_    77     1.09509   111.05351    59.58067
   90    88 S   HC   _H5_    78     1.09432   110.38560   179.60238
   91    88 S   HC   _H6_    79     1.09505   111.03153   -60.39024
  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
  13   8   2   1   1  12   5   4   7   4   3   7   4   6   2   8
   4   3   4   8   4   3   2   1   1  10   5   4   9   6  10   5
   4   2   1   7   4   8   4   3   7   4   8   4   3   7   4   8
   4   3   8   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    51    54    44  
   43    46    47    51  
   46    47    51  
   45    48    49    50    52    53    58  
   48    49    50    52  
   47    51    54    55    56    57  
   51    54  
   49    50    52    53    58    59    60    61  
   50    52    53    58  
   52    53    58  
   54    55    56    57  
   53    58    59    60    61    62    63    66  
   58    59    60    61  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    68    66    67  
   60    61    62    63    66  
   61    62    63    66  
   62    63    64    65    68    69    70    66    67  
   63    64    65    68    66    67  
   64    65    68    69    70    71    72    73    66    67  
   65    68    69    70    66  
   68    69    70    66  
   67    68  
    0  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    84    85  
   80    81    82    83  
   81    82    83    84    85    86    87    88  
   82    83    84    85  
   83    84    85  
   84    85    86    87    88    89    90    91  
   85    86    87    88  
   86    87    88    89    90    91  
   87    88    89    90    91  
   88    89    90    91  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   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   570.000  1.307
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   570.000  1.229
   52    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   317.000  1.522
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   317.000  1.522
   83    84   570.000  1.229
   83    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   66    67   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    51   210.000  1.799
   51    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    75.00000  107.99600
   48    44    45    80.00000  120.40000
   48    52    53    80.00000  120.40000
   48    52    58    70.00000  116.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    63.00000  111.10000
   58    52    53    80.00000  120.40000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    66    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    63.00000  111.10000
   61    66    67    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    68    69    80.00000  120.40000
   63    68    70    70.00000  116.00000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    75.00000  107.99600
   70    68    69    80.00000  120.40000
   70    73    74    80.00000  120.40000
   70    73    75    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    75.00000  107.99600
   75    73    74    80.00000  120.40000
   75    78    79    80.00000  120.40000
   75    78    80    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    75.00000  107.99600
   80    78    79    80.00000  120.40000
   80    83    84    80.00000  120.40000
   80    83    85    70.00000  116.00000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   83    85    86    35.00000  109.50000
   83    85    87    35.00000  109.50000
   83    85    88    63.00000  111.10000
   85    83    84    80.00000  120.40000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    50.00000  109.50000
   41    33    34    50.00000  109.50000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    51    70.00000  114.16300
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    51    54    90.00000   96.72000
   51    46    47    80.00000  121.30200
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   0.60050  1.0 1.0
   33    38    44    48   0.05600 -1.0 2.0
   33    38    44    48   0.26150  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    51   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    44  -0.09450  1.0 1.0
   34    33    38    44  -1.12950 -1.0 2.0
   34    33    38    44   0.54000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    46  -0.09450  1.0 1.0
   34    33    41    46  -1.12950 -1.0 2.0
   34    33    41    46   0.54000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    44    48    49   0.00000  1.0 1.0
   38    44    48    50   0.00000  1.0 1.0
   38    44    48    52   0.65300  1.0 1.0
   38    44    48    52  -0.03850 -1.0 2.0
   38    44    48    52   0.33900  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    53   0.30150 -1.0 2.0
   44    48    52    58   0.65300  1.0 1.0
   44    48    52    58  -0.03850 -1.0 2.0
   44    48    52    58   0.33900  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    58    59   0.00000  1.0 1.0
   48    52    58    60   0.00000  1.0 1.0
   48    52    58    61   0.60050  1.0 1.0
   48    52    58    61   0.05600 -1.0 2.0
   48    52    58    61   0.26150  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    58   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    58   0.00000  1.0 1.0
   52    58    61    62  -0.11250  1.0 3.0
   52    58    61    63  -0.95700  1.0 1.0
   52    58    61    63  -0.18200 -1.0 2.0
   52    58    61    63   0.29450  1.0 3.0
   52    58    61    66  -0.09450  1.0 1.0
   52    58    61    66  -1.12950 -1.0 2.0
   52    58    61    66   0.54000  1.0 3.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.30150 -1.0 2.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.15000  1.0 3.0
   58    61    63    68  -0.95700  1.0 1.0
   58    61    63    68  -0.18200 -1.0 2.0
   58    61    63    68   0.29450  1.0 3.0
   58    61    66    67  -0.11600  1.0 1.0
   58    61    66    67  -0.09450 -1.0 2.0
   58    61    66    67   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    66   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    66   0.23400  1.0 3.0
   61    63    68    69   0.30150 -1.0 2.0
   61    63    68    70   0.60050  1.0 1.0
   61    63    68    70   0.05600 -1.0 2.0
   61    63    68    70   0.26150  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    68  -0.11250  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   63    61    66    67  -0.11600  1.0 1.0
   63    61    66    67  -0.09450 -1.0 2.0
   63    61    66    67   0.21250  1.0 3.0
   63    68    70    71   0.00000  1.0 1.0
   63    68    70    72   0.00000  1.0 1.0
   63    68    70    73   0.65300  1.0 1.0
   63    68    70    73  -0.03850 -1.0 2.0
   63    68    70    73   0.33900  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    70   0.00000  1.0 1.0
   68    70    73    74   0.30150 -1.0 2.0
   68    70    73    75   0.65300  1.0 1.0
   68    70    73    75  -0.03850 -1.0 2.0
   68    70    73    75   0.33900  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.30150 -1.0 2.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.65300  1.0 1.0
   70    73    75    78  -0.03850 -1.0 2.0
   70    73    75    78   0.33900  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    75   0.00000  1.0 1.0
   73    75    78    79   0.30150 -1.0 2.0
   73    75    78    80   0.65300  1.0 1.0
   73    75    78    80  -0.03850 -1.0 2.0
   73    75    78    80   0.33900  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.30150 -1.0 2.0
   75    78    80    81   0.00000  1.0 1.0
   75    78    80    82   0.00000  1.0 1.0
   75    78    80    83   0.65300  1.0 1.0
   75    78    80    83  -0.03850 -1.0 2.0
   75    78    80    83   0.33900  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    83    84   0.30150 -1.0 2.0
   78    80    83    85   0.65300  1.0 1.0
   78    80    83    85  -0.03850 -1.0 2.0
   78    80    83    85   0.33900  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    83   0.30150 -1.0 2.0
   80    83    85    86   0.00000  1.0 1.0
   80    83    85    87   0.00000  1.0 1.0
   80    83    85    88   0.60050  1.0 1.0
   80    83    85    88   0.05600 -1.0 2.0
   80    83    85    88   0.26150  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   82    80    83    85   0.00000  1.0 1.0
   83    85    88    89  -0.11250  1.0 3.0
   83    85    88    90  -0.11250  1.0 3.0
   83    85    88    91  -0.11250  1.0 3.0
   84    83    85    86   0.00000  1.0 1.0
   84    83    85    87   0.00000  1.0 1.0
   84    83    85    88   0.30150 -1.0 2.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   0.15000  1.0 3.0
   66    61    63    64   0.23400  1.0 3.0
   66    61    63    65   0.23400  1.0 3.0
   66    61    63    68  -0.09450  1.0 1.0
   66    61    63    68  -1.12950 -1.0 2.0
   66    61    63    68   0.54000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    54  -0.11550  1.0 1.0
   41    46    51    54   1.88700 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.00000  1.0 1.0
   46    51    54    55   0.24000  1.0 3.0
   46    51    54    56   0.24000  1.0 3.0
   46    51    54    57   0.24000  1.0 3.0
   47    46    51    54  -0.11550  1.0 1.0
   47    46    51    54   1.88700 -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
   38    48    44    45  10.50000 -1.0 2.0
   48    58    52    53  10.50000 -1.0 2.0
   63    70    68    69  10.50000 -1.0 2.0
   70    75    73    74  10.50000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   80    85    83    84  10.50000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
END
