* LIGAND DATABASE FILE (OPLS2005)
*
001      97   104    194    348     595
    1     0 S   NP   _N1_     1    28.17432    95.74510   -24.13592
    2     1 S   H    _HN1     2     1.02777   106.47243  -122.15583
    3     1 S   H    _H1_     3     1.02957    86.61998   -14.02598
    4     1 S   H    _H2_     4     1.02835    22.64190   140.75883
    5     1 S   CT   _CA1     5     1.50128   128.91008    99.60590
    6     5 S   HC   _HA1     6     1.09575   105.21784    74.89824
    7     5 S   CO3  _C1_     7     1.53786   112.36046   -45.29567
    8     7 S   O2Z  _O11     8     1.26365   114.99902   -44.06914
    9     7 S   O2Z  _O12     9     1.26236   114.93092   135.03393
   10     5 S   CT   _CB1    10     1.53095   107.42127  -167.19603
   11    10 S   HC   HB11    11     1.09827   109.33335   -50.55524
   12    10 S   HC   HB12    12     1.09816   110.42812    66.00104
   13    10 S   CT   _CG1    13     1.53015   112.66667  -171.62783
   14    13 S   HC   HG11    14     1.09595   110.48622   -64.30299
   15    13 S   HC   HG12    15     1.09657   109.92440    54.89603
   16    13 S   C    _CD1    16     1.51837   112.31911   175.26381
   17    16 S   O    _OE1    17     1.22750   123.28802     0.09279
   18    16 S   N    _N2_    18     1.38552   111.69180  -179.88465
   19    18 S   H    _HN2    19     1.01543   119.07199     4.31647
   20    18 S   CT1  _CA2    20     1.45797   122.89271   178.11841
   21    20 S   HC   _HA2    21     1.09700   109.04936    24.33814
   22    20 S   C    _C2_    22     1.53150   107.08477   -92.93195
   23    22 S   O    _O2_    23     1.23016   123.03447   -21.06898
   24    20 S   CT   _CB2    32     1.53234   112.45418   147.59509
   25    24 S   HC   HB21    33     1.09596   109.73901    59.66319
   26    24 S   HC   HB22    34     1.09449   109.12312   177.85406
   27    22 S   N    _N3_    24     1.38551   112.76661   161.85954
   28    27 S   H    _HN3    25     1.01674   120.32842    -4.39948
   29    24 S   S    _SG2    35     1.83187   112.17269   -60.32857
   30    27 S   CT   _CA3    26     1.45385   122.31911   177.14803
   31    30 S   HC   HA31    27     1.09586   107.88461   -49.49817
   32    30 S   HC   HA32    28     1.09540   107.58847    66.78478
   33    29 S   CT   _C24    36     1.90235   102.05745  -158.31201
   34    33 S   OM   _O37    37     1.31006   104.76754    72.14274
   35    30 S   CO3  _C3_    29     1.52806   114.19032  -172.07831
   36    35 S   O2Z  _O31    30     1.26309   115.89956   -20.84828
   37    35 S   O2Z  _O32    31     1.26433   114.56811   159.31855
   38    33 S   CT   _C23    38     1.58317   106.20775  -167.39771
   39    38 S   HC   _H16    39     1.10551   105.25639    26.58005
   40    33 S   CT   _C19    90     1.57105   111.11249   -47.32089
   41    40 S   HC   _H6_    91     1.09418   110.79595    45.62925
   42    38 S   CO4  _C25    40     1.54173   118.74835   -85.36943
   43    42 S   O    _O38    41     1.22736   123.74250    15.06057
   44    42 S   CA   _C26    42     1.49090   117.56265  -171.07835
   45    44 S   CA   _C27    43     1.39914   119.95386     0.97277
   46    45 S   CA   _C28    44     1.40260   120.78066  -176.33970
   47    46 S   HA   _H17    45     1.08817   120.31375  -179.36204
   48    45 S   CO4  _C33    56     1.48123   120.71549     5.63371
   49    48 S   O    _O40    57     1.22597   119.37817  -158.78828
   50    46 S   CA   _C29    46     1.39850   120.42883    -0.29007
   51    38 S   CT   _C22    58     1.56122   114.54259   139.08968
   52    50 S   CA   _C30    47     1.39767   118.98274    -1.22796
   53    52 S   HA   _H18    48     1.08795   119.98749  -178.62627
   54    50 S   CT   _C32    52     1.49910   120.47584  -178.18425
   55    54 S   HC   _H20    53     1.09433   110.00532    87.93471
   56    54 S   HC   _H21    54     1.09511   110.93127  -151.57138
   57    54 S   HC   _H22    55     1.09511   110.89732   -32.56799
   58    51 S   CT   _C14    59     1.57266   117.57740    77.00133
   59    58 S   HC   _H3_    60     1.09549   113.21872    98.18249
   60    51 S   CT   _C21    86     1.57822   111.61519   -43.42531
   61    60 S   HC   _H8_    87     1.09485   114.27296  -126.29039
   62    44 S   CA   _C31    49     1.40299   121.58095  -176.58746
   63    58 S   CO4  _C13    61     1.52606   115.08678   -27.48558
   64    63 S   O    _O35    62     1.22906   120.66318   104.23577
   65    60 S   CT   _C20    88     1.51745   114.59864     3.68084
   66    65 S   HC   _H7_    89     1.09258   112.04975   -65.99450
   67    58 S   CT   _C15    94     1.52924   104.14796  -142.17738
   68    67 S   HC   _H4_    95     1.09414   114.36013   163.15932
   69    62 S   OH   _O39    50     1.36969   123.50292    -3.12380
   70    69 S   HO   _H19    51     0.97445   108.72491    -0.03426
   71    63 S   CT   _C12    63     1.53285   115.49331   -78.95621
   72    71 S   HC   _H15    64     1.10293   104.03021   -83.99892
   73    65 S   OH   _O41    92     1.42156   110.65675   174.62320
   74    73 S   HO   _H23    93     0.97228   107.35818  -173.98507
   75    67 S   OH   _O42    96     1.41983   111.79081   -74.72576
   76    75 S   HO   _H24    97     0.97230   107.63382   -62.85898
   77    71 S   CO4  _C11    65     1.51832   117.83784   164.89186
   78    77 S   O    _O34    66     1.22803   122.53111    27.57769
   79    77 S   CA   _C8_    67     1.48829   117.71647  -157.55410
   80    79 S   CA   _C7_    68     1.39949   119.64317    -5.82430
   81    80 S   CA   _C6_    69     1.40099   120.79389  -177.56394
   82    81 S   HA   _H12    70     1.08793   120.31174  -178.95695
   83    80 S   CO4  _C18    81     1.48189   120.38461     5.15184
   84    83 S   O    _O36    82     1.22503   119.67210  -153.92057
   85    81 S   CA   _C5_    71     1.39924   120.23010    -0.45885
   86    71 S   CT   _C17    83     1.54845   109.66085    30.98240
   87    85 S   CA   _C10    72     1.39889   119.10427    -0.67522
   88    87 S   HA   _H13    73     1.08829   119.98328  -178.48380
   89    85 S   CT   _C4_    77     1.49926   120.40594  -177.38940
   90    89 S   HC   _H9_    78     1.09431   109.98638    84.86971
   91    89 S   HC   _H10    79     1.09506   111.04616  -154.66443
   92    89 S   HC   _H11    80     1.09506   110.78511   -35.61471
   93    86 S   CT   _C16    84     1.58045   109.60568   -51.31032
   94    93 S   HC   _H5_    85     1.09464   114.34866  -124.05076
   95    79 S   CA   _C9_    74     1.40086   121.66061   175.69534
   96    95 S   OH   _O33    75     1.36901   123.36063    -2.25776
   97    96 S   HO   _H14    76     0.97404   108.76676    -2.11581
  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
  19   8   2   1   1  20   8  20   8  11   4  12  12  12   4  12
   3   8  16   8   3   4   2   1   1  16   8  14   7   2  12   5
   9   4   8   5   1   1  11   6   3   1   4   1  10   4  12  11
  12   4   6   2   8   2   8   3   4   2   1   1   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    51    86    65    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    48    51    58    71    83    86    93    60    65    66    40    41    73  
   38    39    42    51    86    65    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    62    48    49    51    58    59    63    86    93    60    61    65    40    41    67  
   42    43    44    48    51    58    60    40  
   41    73    74    67    42    51    60    61    63    65    66    71    72    77    80    83    84    86    93    94  
   73    60    65    66    71    83    86    93  
   43    44    45    46    52    62    69    48    51    58    60  
   44    45    62    51  
   45    46    47    50    52    53    62    69    70    48    49    51  
   46    47    50    52    62    69    54    48    49    51    58    60  
   47    50    52    53    62    54    55    56    57    48    49    51  
   50    52    54    48  
   49    51    58    59    63    93    60    61    65    67    50    62  
   51    58    60  
   52    53    62    69    54    55    56    57  
   58    59    63    64    71    86    93    94    60    61    65    66    73    67    68    75  
   53    62    69    70    54    55    56    57  
   62    69    54  
   55    56    57    62  
   56    57  
   57  
    0  
   59    63    64    71    72    77    86    93    94    60    61    65    67    68    75    76  
   63    64    71    93    60    67    68    75  
   61    65    66    73    74    67    68    75    63    71    83    86    93    94  
   65    66    73    67    86    93    94  
   69    70  
   64    71    72    77    78    79    83    86    93    67    68    75  
   71    72    77    86    67  
   66    73    74    67    71    83    86    93    94  
   73    74    86    93  
   68    75    76    71    83    86    93    94  
   75    76    86    93    94  
   70  
    0  
   72    77    78    79    80    95    83    84    86    93    94  
   77    78    79    83    86    93  
   74    86    93  
    0  
   76    86    93    94  
   93  
   78    79    80    81    87    95    96    83    86    93  
   79    80    95    86  
   80    81    82    85    87    88    95    96    97    83    84    86  
   81    82    85    87    95    96    89    83    84    86    93  
   82    85    87    88    95    89    90    91    92    83    84    86  
   85    87    89    83  
   84    86    93    94    85    95  
   86    93  
   87    88    95    96    89    90    91    92  
   93    94  
   88    95    96    97    89    90    91    92  
   95    96    89  
   90    91    92    95  
   91    92  
   92  
    0  
   94  
    0  
   96    97  
   97  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.065000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    51   268.000  1.529
   42    43   570.000  1.229
   42    44   310.000  1.470
   44    45   469.000  1.400
   44    62   469.000  1.400
   45    46   469.000  1.400
   45    48   310.000  1.470
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    52   469.000  1.400
   50    54   317.000  1.510
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    69   450.000  1.364
   69    70   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    51   317.000  1.522
   51    58   268.000  1.529
   51    60   268.000  1.529
   58    59   340.000  1.090
   58    63   317.000  1.522
   58    67   268.000  1.529
   63    64   570.000  1.229
   63    71   317.000  1.522
   71    72   340.000  1.090
   71    77   317.000  1.522
   71    86   268.000  1.529
   77    78   570.000  1.229
   77    79   310.000  1.470
   79    80   469.000  1.400
   79    95   469.000  1.400
   80    81   469.000  1.400
   80    83   310.000  1.470
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    87   469.000  1.400
   85    89   317.000  1.510
   87    88   367.000  1.080
   87    95   469.000  1.400
   95    96   450.000  1.364
   96    97   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    93   268.000  1.529
   86    40   268.000  1.529
   93    94   340.000  1.090
   93    60   268.000  1.529
   93    67   268.000  1.529
   60    61   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    40   268.000  1.529
   65    73   320.000  1.410
   40    41   340.000  1.090
   73    74   553.000  0.945
   67    68   340.000  1.090
   67    75   320.000  1.410
   75    76   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    51    58.35000  112.70000
   33    40    86    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    44    65.00000  115.47100
   38    51    48    63.00000  111.10000
   38    51    58    58.35000  112.70000
   38    51    60    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    44    45    60.00000  119.52600
   42    44    62    60.00000  119.52600
   44    42    43    75.00000  123.78400
   44    45    46    63.00000  120.00000
   44    45    48    60.00000  119.52600
   44    62    52    63.00000  120.00000
   44    62    69    70.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    51    65.00000  115.47100
   46    50    52    63.00000  120.00000
   46    50    54    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    62    63.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   52    62    69    70.00000  120.00000
   62    44    45    63.00000  120.00000
   62    52    53    35.00000  120.00000
   62    69    70    35.00000  113.00000
   54    50    52    70.00000  120.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    45    46    60.00000  119.52600
   48    51    58    63.00000  111.10000
   48    51    60    63.00000  111.10000
   51    38    39    37.50000  110.70000
   51    38    42    63.00000  111.10000
   51    48    49    80.00000  120.40000
   51    58    59    37.50000  110.70000
   51    58    63    63.00000  111.10000
   51    58    67    58.35000  112.70000
   51    60    93    58.35000  112.70000
   51    60    61    37.50000  110.70000
   51    60    65    58.35000  112.70000
   58    63    64    80.00000  120.40000
   58    63    71    70.00000  116.00000
   58    67    93    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    75    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    71    72    35.00000  109.50000
   63    71    77    75.00000  107.99600
   63    71    86    63.00000  111.10000
   71    63    64    80.00000  120.40000
   71    77    78    80.00000  120.40000
   71    77    79    65.00000  115.47100
   71    86    83    63.00000  111.10000
   71    86    93    58.35000  112.70000
   71    86    40    58.35000  112.70000
   77    71    72    35.00000  109.50000
   77    79    80    60.00000  119.52600
   77    79    95    60.00000  119.52600
   79    77    78    75.00000  123.78400
   79    80    81    63.00000  120.00000
   79    80    83    60.00000  119.52600
   79    95    87    63.00000  120.00000
   79    95    96    70.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    75.00000  123.78400
   80    83    86    65.00000  115.47100
   81    85    87    63.00000  120.00000
   81    85    89    70.00000  120.00000
   85    81    82    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    95    63.00000  120.00000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   87    95    96    70.00000  120.00000
   95    79    80    63.00000  120.00000
   95    87    88    35.00000  120.00000
   95    96    97    35.00000  113.00000
   89    85    87    70.00000  120.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   83    80    81    60.00000  119.52600
   83    86    93    63.00000  111.10000
   83    86    40    63.00000  111.10000
   86    71    72    37.50000  110.70000
   86    71    77    63.00000  111.10000
   86    83    84    80.00000  120.40000
   86    93    94    37.50000  110.70000
   86    93    60    58.35000  112.70000
   86    93    67    58.35000  112.70000
   86    40    65    58.35000  112.70000
   86    40    41    37.50000  110.70000
   93    60    61    37.50000  110.70000
   93    60    65    58.35000  112.70000
   93    67    68    37.50000  110.70000
   93    67    75    50.00000  109.50000
   60    51    58    58.35000  112.70000
   60    93    94    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    40    58.35000  112.70000
   60    65    73    50.00000  109.50000
   65    60    61    37.50000  110.70000
   65    40    41    37.50000  110.70000
   65    73    74    55.00000  108.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    86    93    58.35000  112.70000
   40    65    66    37.50000  110.70000
   73    65    66    35.00000  109.50000
   73    65    40    50.00000  109.50000
   67    58    59    37.50000  110.70000
   67    58    63    63.00000  111.10000
   67    93    94    37.50000  110.70000
   67    93    60    58.35000  112.70000
   67    75    76    55.00000  108.50000
   75    67    68    35.00000  109.50000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    51   0.44750  1.0 1.0
   29    33    38    51  -0.17800 -1.0 2.0
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   60    65   -40    86   0.56750  1.0 1.0
   60    65   -40    86  -0.07550 -1.0 2.0
   60    65   -40    86   0.20000  1.0 3.0
   60    65    40    41   0.15000  1.0 3.0
   60    65    73    74  -0.11600  1.0 1.0
   60    65    73    74  -0.09450 -1.0 2.0
   60    65    73    74   0.21250  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    40   0.15000  1.0 3.0
   61    60    65    73   0.23400  1.0 3.0
   66    65    40    33   0.15000  1.0 3.0
   66    65    40    86   0.15000  1.0 3.0
   66    65    40    41   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33   -38    51   0.56750  1.0 1.0
   40    33   -38    51  -0.07550 -1.0 2.0
   40    33   -38    51   0.20000  1.0 3.0
   40    86    93    94   0.15000  1.0 3.0
   40    86   -93    60   0.56750  1.0 1.0
   40    86   -93    60  -0.07550 -1.0 2.0
   40    86   -93    60   0.20000  1.0 3.0
   40    86    93    67   0.56750  1.0 1.0
   40    86    93    67  -0.07550 -1.0 2.0
   40    86    93    67   0.20000  1.0 3.0
   40    65    73    74  -0.11600  1.0 1.0
   40    65    73    74  -0.09450 -1.0 2.0
   40    65    73    74   0.21250  1.0 3.0
   73    65    40    33   0.86500  1.0 1.0
   73    65    40    33  -0.17500 -1.0 2.0
   73    65    40    33   0.20800  1.0 3.0
   73    65    40    86   0.86500  1.0 1.0
   73    65    40    86  -0.17500 -1.0 2.0
   73    65    40    86   0.20800  1.0 3.0
   73    65    40    41   0.23400  1.0 3.0
   67    58    63    64   0.30150 -1.0 2.0
   67    58   -63    71   0.60050  1.0 1.0
   67    58   -63    71   0.05600 -1.0 2.0
   67    58   -63    71   0.26150  1.0 3.0
   67    93   -60    51   0.56750  1.0 1.0
   67    93   -60    51  -0.07550 -1.0 2.0
   67    93   -60    51   0.20000  1.0 3.0
   67    93    60    61   0.15000  1.0 3.0
   67    93    60    65   0.56750  1.0 1.0
   67    93    60    65  -0.07550 -1.0 2.0
   67    93    60    65   0.20000  1.0 3.0
   68    67    75    76   0.19450  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
   36    30    35    37  10.50000 -1.0 2.0
   38    44    42    43  10.50000 -1.0 2.0
   45    62    44    42   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   52    54    50    46   4.00000 -1.0 2.0
   62    53    52    50   1.10000 -1.0 2.0
   52    69    62    44   4.00000 -1.0 2.0
   45    51    48    49  10.50000 -1.0 2.0
   58    71    63    64  10.50000 -1.0 2.0
   71    79    77    78  10.50000 -1.0 2.0
   80    95    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   87    89    85    81   4.00000 -1.0 2.0
   95    88    87    85   1.10000 -1.0 2.0
   87    96    95    79   4.00000 -1.0 2.0
   80    86    83    84  10.50000 -1.0 2.0
END
