* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    166    251     479
    1     0 S   NP   _N1_     1    28.72678    95.62181   -22.36552
    2     1 S   H    _HN1     2     1.02938    76.63621    16.91488
    3     1 S   H    _H1_     3     1.02833    36.19262   163.55577
    4     1 S   H    _H2_     4     1.02785    99.99316   -89.79742
    5     1 S   CT   _CA1     5     1.50102   141.59810   123.08602
    6     5 S   HC   _HA1     6     1.09573   105.17604    83.29747
    7     5 S   CO3  _C1_     7     1.53705   112.45296   -36.90378
    8     7 S   O2Z  _O11     8     1.26385   115.00692   -42.67337
    9     7 S   O2Z  _O12     9     1.26274   114.94816   136.39948
   10     5 S   CT   _CB1    10     1.53052   107.45412  -158.73100
   11    10 S   HC   HB11    11     1.09828   109.31218   -49.70968
   12    10 S   HC   HB12    12     1.09805   110.51272    66.89287
   13    10 S   CT   _CG1    13     1.52986   112.56667  -170.67460
   14    13 S   HC   HG11    14     1.09541   110.54628   -66.80401
   15    13 S   HC   HG12    15     1.09664   109.85040    52.41731
   16    13 S   C    _CD1    16     1.51773   112.15365   172.82252
   17    16 S   O    _OE1    17     1.22743   123.23206     7.42782
   18    16 S   N    _N2_    18     1.38602   111.76121  -173.01396
   19    18 S   H    _HN2    19     1.01606   118.83409     1.07793
   20    18 S   CT1  _CA2    20     1.46264   123.37710   177.34082
   21    20 S   HC   _HA2    21     1.09737   109.36786    -3.42245
   22    20 S   C    _C2_    22     1.53426   108.28538  -118.82501
   23    22 S   O    _O2_    23     1.23028   122.35132  -146.97911
   24    20 S   CT   _CB2    32     1.53277   111.66826   118.70205
   25    24 S   HC   HB21    33     1.09431   110.03921    57.04957
   26    24 S   HC   HB22    34     1.09523   110.47745   175.76067
   27    22 S   N    _N3_    24     1.38347   113.49219    40.40372
   28    27 S   H    _HN3    25     1.01619   119.52587    -3.46763
   29    24 S   S    _SG2    35     1.82533   111.30613   -64.82329
   30    27 S   CT   _CA3    26     1.45283   123.22475   177.09256
   31    30 S   HC   HA31    27     1.09548   107.54737   -63.82374
   32    30 S   HC   HA32    28     1.09556   107.94453    52.61349
   33    29 S   CT   _C10    36     1.82210    99.58367   165.98317
   34    33 S   HC   _H4_    37     1.09817   106.77438    47.24319
   35    30 S   CO3  _C3_    29     1.52959   114.05715   174.60079
   36    35 S   O2Z  _O31    30     1.26377   116.04599     0.07913
   37    35 S   O2Z  _O32    31     1.26422   114.42140  -179.87333
   38    33 S   CT   _C11    38     1.52124   111.79289   165.06842
   39    38 S   HC   _H5_    39     1.09623   111.50148    45.91567
   40    38 S   CT   _C12    40     1.52608   101.07727   163.90516
   41    40 S   HC   _H6_    41     1.09816   109.96879    79.33284
   42    38 S   OH   _O45    89     1.41708   112.34004   -76.06768
   43    42 S   HO   _H20    90     0.97171   108.78477   -64.53209
   44    40 S   OS   _O33    42     1.43643   105.98273   -36.96971
   45    40 S   CT   _C13    59     1.52197   113.61697  -158.59406
   46    45 S   HC   _H13    60     1.09523   110.25674   171.98399
   47    45 S   HC   _H14    61     1.09440   110.99993    53.69580
   48    33 S   CO   _C9_    43     1.53845   118.32857   -76.26642
   49    48 S   HC   _H3_    44     1.09684   109.81991    96.69263
   50    45 S   OS   _O34    62     1.41894   109.41999   -68.73026
   51    48 S   N*   _N6_    45     1.45294   117.85751   -25.59367
   52    50 S   P2   _P1_    63     1.63404   119.27061   147.60189
   53    52 S   O2Z  _O36    64     1.51240   107.56012   174.37761
   54    52 S   O2Z  _O35    65     1.51313   108.83313    41.83962
   55    51 S   CRAB _C8_    46     1.37330   124.40541    99.25943
   56    55 S   HA   _H12    47     1.08157   122.47918     0.25023
   57    52 S   OS   _O37    66     1.63048    99.02493   -72.17385
   58    55 S   NNA  _N7_    48     1.31480   112.33107  -179.30931
   59    57 S   P2   _P2_    67     1.62967   129.41277  -170.37959
   60    59 S   O2Z  _O39    68     1.51287   108.80923    70.96667
   61    59 S   O2Z  _O38    69     1.51297   109.23025   -62.65106
   62    58 S   C56B _C6_    49     1.37427   104.92727    -2.00154
   63    59 S   OS   _O40    70     1.63555    99.30454  -176.79631
   64    51 S   C56A _C7_    50     1.36972   128.77358   -82.98828
   65    63 S   CT   _C14    71     1.42490   119.23913    73.22523
   66    65 S   HC   _H15    72     1.09373   108.15576   -66.25023
   67    65 S   HC   _H16    73     1.09403   108.84399    52.87242
   68    64 S   NB   _N5_    51     1.34060   128.21337    -0.07402
   69    65 S   CT   _C15    74     1.52404   108.60381   172.93053
   70    69 S   HC   _H7_    75     1.09756   109.39440   -42.73459
   71    68 S   CQ   _C4_    52     1.34473   111.18886  -179.31700
   72    71 S   HA   _H11    53     1.08494   115.79896   179.37130
   73    69 S   CT   _C16    76     1.52069   113.38122  -167.37624
   74    73 S   HC   _H8_    77     1.09553   110.63680   -37.66158
   75    71 S   NB   _N4_    54     1.35156   128.53054    -1.02221
   76    73 S   CT   _C17    78     1.51681   101.77810  -154.42466
   77    76 S   HC   _H9_    79     1.09389   112.43205   161.94570
   78    73 S   OH   _O44    87     1.41352   112.17155    83.80376
   79    78 S   HO   _H19    88     0.97236   107.36511   167.88122
   80    62 S   CA   _C5_    55     1.40427   131.63548  -178.93670
   81    76 S   CO   _C18    80     1.52230   100.91882    39.45629
   82    81 S   HC   _H10    81     1.09449   112.80919  -151.86486
   83    76 S   OH   _O43    85     1.42548   110.24010   -76.75132
   84    83 S   HO   _H18    86     0.97237   107.41991   175.44757
   85    80 S   NND  _N8_    56     1.38035   122.40335    -1.69420
   86    85 S   H    _H21    57     1.01298   120.59047    -7.11235
   87    85 S   H    _H22    58     1.01018   119.21376  -175.96400
   88    69 S   OS   _O41    82     1.44203   109.88104    74.75643
   89    81 S   OH   _O42    83     1.41931   108.71781    86.50382
   90    89 S   HO   _H17    84     0.97291   106.42689   167.44273
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   8   7   3   2   6   3   5   6   7   3   2   8   7   6
  10   5   4   4  12   6   4   2  11   7   4  10   7   4   1   3
   6   4   3   1   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    64    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    64    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    58    62    64    68  
   51    55    64  
   52    53    54    57    59  
   55    56    58    62    64    68    71    80  
   53    54    57    59    60    61    63  
   54    57    59  
   57    59  
   56    58    62    64    68    80  
   58    62    64  
   59    60    61    63    65  
   62    64    68    75    80    85  
   60    61    63    65    66    67    69  
   61    63    65  
   63    65  
   64    68    71    75    80    85    86    87  
   65    66    67    69    70    73    88  
   68    71    72    75    80    85  
   66    67    69    70    73    74    76    81    88    78  
   67    69    70    73    88  
   69    70    73    88  
   71    72    75    80  
   70    73    74    76    77    81    82    88    89    83    78    79  
   73    74    76    81    88    78  
   72    75    80    85  
   75    80  
   74    76    77    81    82    88    89    83    84    78    79  
   76    77    81    88    83    78    79  
   80    85    86    87  
   77    81    82    88    89    90    83    84    78    79  
   81    82    88    89    83    84    78  
   79    81    83    88  
    0  
   85    86    87  
   82    88    89    90    83    84  
   88    89    90    83  
   84    88    89  
    0  
   86    87  
   87  
    0  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   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   340.000  1.090
   33    38   268.000  1.529
   33    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   440.000  1.371
   51    64   436.000  1.374
   55    56   367.000  1.080
   55    58   529.000  1.304
   58    62   414.000  1.391
   62    64   447.000  1.419
   62    80   469.000  1.404
   64    68   461.000  1.354
   68    71   502.000  1.324
   71    72   367.000  1.080
   71    75   502.000  1.324
   75    80   483.000  1.339
   80    85   481.000  1.340
   85    86   434.000  1.010
   85    87   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    63   230.000  1.697
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    88   320.000  1.410
   73    74   340.000  1.090
   73    76   268.000  1.529
   73    78   320.000  1.410
   76    77   340.000  1.090
   76    81   250.000  1.527
   76    83   320.000  1.410
   81    82   340.000  1.090
   81    88   320.000  1.380
   81    89   380.000  1.407
   89    90   553.000  0.945
   83    84   553.000  0.945
   78    79   553.000  0.945
   42    43   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    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  128.80000
   48    51    64    70.00000  125.80000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  123.05000
   51    55    58    70.00000  113.90000
   51    64    62    70.00000  106.20000
   51    64    68    70.00000  126.20000
   55    58    62    70.00000  103.80000
   58    55    56    35.00000  123.05000
   58    62    64    70.00000  110.40000
   58    62    80    70.00000  132.40000
   62    64    68    70.00000  127.70000
   62    80    75    70.00000  117.30000
   62    80    85    70.00000  123.50000
   64    51    55    70.00000  105.40000
   64    68    71    70.00000  111.00000
   68    71    72    35.00000  115.45000
   68    71    75    70.00000  129.10000
   71    75    80    70.00000  118.60000
   75    71    72    35.00000  115.45000
   75    80    85    70.00000  119.30000
   80    62    64    85.00000  116.20000
   80    85    86    35.00000  120.00000
   80    85    87    35.00000  120.00000
   87    85    86    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    59    50.00000  132.62000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   57    59    60   100.00000  108.23000
   57    59    61   100.00000  108.23000
   57    59    63    45.00000  102.60000
   59    63    65   100.00000  120.50000
   61    59    60   140.00000  119.90000
   63    59    60   100.00000  108.23000
   63    59    61   100.00000  108.23000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    69    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    88    50.00000  109.50000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    76    58.35000  112.70000
   69    73    78    50.00000  109.50000
   69    88    81    60.00000  109.50000
   73    69    70    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    81    75.00000  109.43000
   73    76    83    50.00000  109.50000
   73    78    79    55.00000  108.50000
   76    73    74    37.50000  110.70000
   76    81    82    45.00000  112.01100
   76    81    88    90.00000  108.56700
   76    81    89    90.00000  110.19100
   76    83    84    55.00000  108.50000
   81    76    77    45.00000  108.72000
   81    89    90    70.00000  107.92000
   88    69    70    35.00000  109.50000
   88    69    73    50.00000  109.50000
   88    81    82    35.00000  109.50000
   89    81    82    60.00000  108.02500
   89    81    88   110.00000  112.08000
   83    76    77    35.00000  109.50000
   83    76    81    90.00000  111.58700
   78    73    74    35.00000  109.50000
   78    73    76    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    55   1.10250  1.0 1.0
   33    48    51    55   0.01650 -1.0 2.0
   33    48    51    55   0.39100  1.0 3.0
   33    48    51    64   1.10250  1.0 1.0
   33    48    51    64   0.01650 -1.0 2.0
   33    48    51    64   0.39100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.64600  1.0 1.0
   38    33    48    51   0.58400 -1.0 2.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55   0.10350  1.0 1.0
   44    48    51    55  -0.15350 -1.0 2.0
   44    48    51    64   0.10350  1.0 1.0
   44    48    51    64  -0.15350 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   48    51    64    62   0.81400  1.0 1.0
   48    51    64    62   1.55550 -1.0 2.0
   48    51    64    68   3.62500 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    64   0.00000  1.0 1.0
   51    55   -58    62   3.62500 -1.0 2.0
   51    64    68    71   3.62500 -1.0 2.0
   55    51   -64    62   0.70250  1.0 1.0
   55    51   -64    62   1.56150 -1.0 2.0
   55    51    64    68   3.62500 -1.0 2.0
   55    58   -62    64   3.62500 -1.0 2.0
   55    58    62    80   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62   -64    51   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    80    75   3.62500 -1.0 2.0
   58    62    80    85   3.62500 -1.0 2.0
   62    64    68    71   3.62500 -1.0 2.0
   62    80    85    86   0.70000 -1.0 2.0
   62    80    85    87   0.70000 -1.0 2.0
   64    51    55    56   3.62500 -1.0 2.0
   64    51   -55    58   3.62500 -1.0 2.0
   64    62    80    75   3.62500 -1.0 2.0
   64    62    80    85   3.62500 -1.0 2.0
   64    68    71    72   3.62500 -1.0 2.0
   64    68   -71    75   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   71    75   -80    62   3.62500 -1.0 2.0
   71    75    80    85   3.62500 -1.0 2.0
   72    71    75    80   3.62500 -1.0 2.0
   75    80    85    86   0.70000 -1.0 2.0
   75    80    85    87   0.70000 -1.0 2.0
   80    62    64    51   3.00000 -1.0 2.0
   80    62   -64    68   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   52    57    59    60   0.50000  1.0 3.0
   52    57    59    61   0.50000  1.0 3.0
   52    57    59    63   0.15000  1.0 3.0
   53    52    57    59   0.50000  1.0 3.0
   54    52    57    59   0.50000  1.0 3.0
   57    59    63    65   0.05050  1.0 1.0
   57    59    63    65  -1.30700 -1.0 2.0
   57    59    63    65   0.91550  1.0 3.0
   59    63    65    66   0.03000  1.0 3.0
   59    63    65    67   0.03000  1.0 3.0
   59    63    65    69  -2.65550  1.0 1.0
   59    63    65    69  -0.22350 -1.0 2.0
   59    63    65    69   0.24150  1.0 3.0
   60    59    63    65   0.00000  1.0 1.0
   61    59    63    65   0.00000  1.0 1.0
   63    65    69    70   0.23400  1.0 3.0
   63    65    69    73   0.62750  1.0 1.0
   63    65    69    73  -0.30950 -1.0 2.0
   63    65    69    73   0.27300  1.0 3.0
   63    65    69    88   1.11900  1.0 1.0
   63    65    69    88  -1.16350 -1.0 2.0
   63    65    69    88  -0.34150  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    76   0.56750  1.0 1.0
   65    69    73    76  -0.07550 -1.0 2.0
   65    69    73    76   0.20000  1.0 3.0
   65    69    73    78   0.86500  1.0 1.0
   65    69    73    78  -0.17500 -1.0 2.0
   65    69    73    78   0.20800  1.0 3.0
   65    69    88    81   0.06250  1.0 1.0
   65    69    88    81  -0.01100 -1.0 2.0
   65    69    88    81   0.28050  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    88   0.23400  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    73   0.15000  1.0 3.0
   67    65    69    88   0.23400  1.0 3.0
   69    73    76    77   0.15000  1.0 3.0
   69    73   -76    81   3.97050  1.0 1.0
   69    73    76    83   0.86500  1.0 1.0
   69    73    76    83  -0.17500 -1.0 2.0
   69    73    76    83   0.20800  1.0 3.0
   69    73    78    79  -0.11600  1.0 1.0
   69    73    78    79  -0.09450 -1.0 2.0
   69    73    78    79   0.21250  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    73    78   0.23400  1.0 3.0
   70    69    88    81   0.37050  1.0 3.0
   73    69   -88    81   0.06250  1.0 1.0
   73    69   -88    81  -0.01100 -1.0 2.0
   73    69   -88    81   0.28050  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76   -81    88   0.62750  1.0 1.0
   73    76   -81    88  -0.30950 -1.0 2.0
   73    76   -81    88   0.27300  1.0 3.0
   73    76    81    89   0.86500  1.0 1.0
   73    76    81    89  -0.17500 -1.0 2.0
   73    76    81    89   0.20800  1.0 3.0
   73    76    83    84  -0.11600  1.0 1.0
   73    76    83    84  -0.09450 -1.0 2.0
   73    76    83    84   0.21250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   74    73    76    83   0.23400  1.0 3.0
   74    73    78    79   0.19450  1.0 3.0
   76    73    78    79  -0.11600  1.0 1.0
   76    73    78    79  -0.09450 -1.0 2.0
   76    73    78    79   0.21250  1.0 3.0
   76    81   -88    69   0.06250  1.0 1.0
   76    81   -88    69  -0.01100 -1.0 2.0
   76    81   -88    69   0.28050  1.0 3.0
   76    81    89    90  -0.11600  1.0 1.0
   76    81    89    90  -0.09450 -1.0 2.0
   76    81    89    90   0.21250  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    88   0.23400  1.0 3.0
   77    76    81    89   0.23400  1.0 3.0
   77    76    83    84   0.19450  1.0 3.0
   81    76    83    84  -0.11600  1.0 1.0
   81    76    83    84  -0.09450 -1.0 2.0
   81    76    83    84   0.21250  1.0 3.0
   82    81    88    69   0.37050  1.0 3.0
   82    81    89    90   0.19450  1.0 3.0
   88    69    73    74   0.23400  1.0 3.0
   88    69   -73    76   0.62750  1.0 1.0
   88    69   -73    76  -0.30950 -1.0 2.0
   88    69   -73    76   0.27300  1.0 3.0
   88    69    73    78   3.69350  1.0 1.0
   88    69    73    78  -1.82950 -1.0 2.0
   88    81    89    90  -0.50000  1.0 1.0
   88    81    89    90  -0.73950 -1.0 2.0
   88    81    89    90   0.17150  1.0 3.0
   89    81    88    69  -0.70900  1.0 1.0
   89    81    88    69  -1.18000 -1.0 2.0
   89    81    88    69   0.91650  1.0 3.0
   83    76    81    82   0.23400  1.0 3.0
   83    76    81    88   3.69350  1.0 1.0
   83    76    81    88  -1.82950 -1.0 2.0
   83    76    81    89   3.75450  1.0 1.0
   78    73    76    77   0.23400  1.0 3.0
   78    73    76    81   0.86500  1.0 1.0
   78    73    76    81  -0.17500 -1.0 2.0
   78    73    76    81   0.20800  1.0 3.0
   78    73    76    83   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  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
   55    64    51    48   4.00000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   64    80    62    58   4.00000 -1.0 2.0
   62    68    64    51   4.00000 -1.0 2.0
   75    72    71    68   1.10000 -1.0 2.0
   75    85    80    62   4.00000 -1.0 2.0
   87    80    85    86   1.00000 -1.0 2.0
END
