* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    156    234     461
    1     0 S   NP   _N1_     1    28.50056    98.83174   -21.15696
    2     1 S   H    _HN1     2     1.02835    54.59536   153.75988
    3     1 S   H    _H1_     3     1.02776    92.94060   -96.30824
    4     1 S   H    _H2_     4     1.02957    62.47354    12.86479
    5     1 S   CT   _CA1     5     1.50119   154.50068    92.51751
    6     5 S   HC   _HA1     6     1.09573   105.23064   109.00070
    7     5 S   CO3  _C1_     7     1.53796   112.37584   -11.22569
    8     7 S   O2Z  _O11     8     1.26365   115.00188   -43.78649
    9     7 S   O2Z  _O12     9     1.26237   114.93783   135.38022
   10     5 S   CT   _CB1    10     1.53103   107.43211  -133.06001
   11    10 S   HC   HB11    11     1.09825   109.37245   -50.43717
   12    10 S   HC   HB12    12     1.09817   110.40704    66.13126
   13    10 S   CT   _CG1    13     1.53012   112.65234  -171.50830
   14    13 S   HC   HG11    14     1.09595   110.47773   -63.67085
   15    13 S   HC   HG12    15     1.09654   109.93491    55.52577
   16    13 S   C    _CD1    16     1.51838   112.34389   175.92696
   17    16 S   O    _OE1    17     1.22741   123.28422    -0.58316
   18    16 S   N    _N2_    18     1.38557   111.66236   179.26140
   19    18 S   H    _HN2    19     1.01567   118.92759     5.37345
   20    18 S   CT1  _CA2    20     1.45831   123.01639   177.89587
   21    20 S   HC   _HA2    21     1.09752   108.97478    19.21798
   22    20 S   C    _C2_    22     1.52818   107.26520   -97.51831
   23    22 S   O    _O2_    23     1.22937   123.04716   -27.58620
   24    20 S   CT   _CB2    32     1.53148   111.88714   142.23760
   25    24 S   HC   HB21    33     1.09581   110.48206    49.23608
   26    24 S   HC   HB22    34     1.09421   110.03315   168.66989
   27    22 S   N    _N3_    24     1.38509   112.32847   154.76033
   28    27 S   H    _HN3    25     1.01638   120.31586    -0.34092
   29    24 S   S    _SG2    35     1.82656   110.32273   -71.91394
   30    27 S   CT   _CA3    26     1.45340   122.74392   178.60268
   31    30 S   HC   HA31    27     1.09550   107.52647   -65.28023
   32    30 S   HC   HA32    28     1.09566   107.96543    51.14306
   33    29 S   CT   _C12    36     1.84826   100.60427   162.58059
   34    33 S   HC   _H3_    37     1.09480   105.25541   -61.07832
   35    30 S   CO3  _C3_    29     1.52960   114.08927   173.39203
   36    35 S   O2Z  _O31    30     1.26378   116.02265     7.46603
   37    35 S   O2Z  _O32    31     1.26444   114.47527  -172.43122
   38    33 S   CT   _C9_    38     1.54949   113.19141    59.35818
   39    38 S   HC   _H35    39     1.09427   111.79188   -46.61056
   40    38 S   CT   _C7_    40     1.54471   112.22225    76.62719
   41    40 S   HC   _H33    41     1.09809   109.36021   166.71479
   42    38 S   OS   _O28    62     1.44080   109.24971  -166.16342
   43    40 S   CO   _C14    42     1.53825   110.64130    48.09903
   44    43 S   HC   _H40    43     1.09741   109.95429    66.52034
   45    40 S   N    _N15    54     1.46376   111.06506   -76.08678
   46    45 S   H    _H47    55     1.01581   117.40705    91.17989
   47    42 S   CO   _C15    63     1.43264   114.48639    83.33228
   48    47 S   HC   _H41    64     1.09615   109.06715   -53.68828
   49    43 S   OS   _O23    44     1.42650   110.76406   -54.15371
   50    43 S   OH   _O26    52     1.42473   109.41793  -176.04502
   51    50 S   HO   _H50    53     0.97198   106.65378  -157.28898
   52    45 S   C    _C5_    56     1.38265   123.01625   -83.62901
   53    52 S   O    _O19    57     1.22762   125.38215    -2.24385
   54    47 S   CT   _C11    65     1.54088   107.79269  -172.03134
   55    54 S   HC   _H37    66     1.09509   109.03468    60.23981
   56    33 S   CT   _C13    45     1.54913   111.57389  -176.43663
   57    56 S   HC   _H39    46     1.09909   109.10326   171.50796
   58    52 S   CT   _C16    58     1.50464   112.61567   176.13406
   59    58 S   HC   _H42    59     1.09374   110.71550    40.54765
   60    58 S   HC   _H43    60     1.09349   109.56751   160.21886
   61    58 S   HC   _H44    61     1.09349   109.25301   -80.00445
   62    54 S   CT   _C10    67     1.53569   108.48128  -178.60198
   63    62 S   HC   _H36    68     1.09767   108.04819   -65.88333
   64    54 S   OS   _O29    81     1.43259   107.16460   -57.80789
   65    56 S   CT   _C17    47     1.53162   114.43453    51.32613
   66    65 S   HC   _H45    48     1.09430   111.11170    46.52748
   67    65 S   HC   _H46    49     1.09418   111.91004   -76.87833
   68    62 S   CT   _C8_    69     1.53561   111.76118    53.43446
   69    68 S   HC   _H34    70     1.09546   110.12039  -176.44537
   70    62 S   OH   _O25    79     1.42112   111.10702   177.62471
   71    70 S   HO   _H49    80     0.97212   107.92253  -178.79667
   72    64 S   SY   _S31    82     1.63865   122.75070   153.57773
   73    72 S   OY   _O17    83     1.46234   103.28119  -138.60026
   74    72 S   OY   _O20    84     1.46215   103.72040   102.21115
   75    72 S   OY   _O21    85     1.46169   106.01513   -18.67277
   76    65 S   OH   _O27    50     1.42673   108.84232   164.98769
   77    76 S   HO   _H51    51     0.97248   106.97599   178.91285
   78    68 S   CT   _C6_    71     1.53086   108.78661   -54.03539
   79    78 S   HC   _H32    72     1.09939   109.18161   -61.27851
   80    68 S   OH   _O24    77     1.42903   110.10713    66.01786
   81    80 S   HO   _H48    78     0.97399   107.80571    36.75942
   82    47 S   OS   _O22    73     1.43340   111.78598    66.66257
   83    78 S   CO3  _C4_    74     1.53974   116.13542  -179.44857
   84    83 S   O2Z  _O16    75     1.26547   115.14424  -164.20160
   85    83 S   O2Z  _O18    76     1.26363   115.99470    18.58472
  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
  16   8   2   1   1  18   7  14   8  11  10   5   9   3  13   6
   8   2   1   5   4  15   7   6   4   3   2   1   1  13   7   7
   4   3   2  11   7   3   1   3   2   1   1   1   1   7   5   3
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    56    57    65    66    67    76    45    42    47  
   38    39    40    49    56    57    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    65    50    45    46    52    42    47    48    54    82  
   40    41    43    56    45    42    47  
   41    43    44    49    56    50    51    45    46    52    53    58    42    47  
   43    44    49    50    45    46    52    42  
   47    48    54    55    62    78    82    64    43    45    56  
   44    49    56    57    65    50    51    45    46    52  
   49    56    50    51    45  
   46    52    53    58    59    60    61    49    50  
   52    53    58  
   48    54    55    62    63    68    78    79    82    83    70    64    72  
   54    55    62    78    82    64  
   56    57    65    66    67    76    50    51  
   51    56  
    0  
   53    58    59    60    61  
   58    59    60    61  
   55    62    63    68    69    78    82    80    70    71    64    72    73    74    75  
   62    63    68    82    70    64    72  
   57    65    66    67    76    77  
   65    66    67    76  
   59    60    61  
   60    61  
   61  
    0  
   63    68    69    78    79    82    83    80    81    70    71    64    72  
   68    69    78    80    70    71    64  
   72    73    74    75    68    70    82  
   66    67    76    77  
   67    76    77  
   76    77  
   69    78    79    82    83    84    85    80    81    70    71  
   78    79    82    83    80    81    70  
   71    78    80  
    0  
   73    74    75  
   74    75  
   75  
    0  
   77  
    0  
   79    82    83    84    85    80    81  
   82    83    84    85    80  
   81    82    83  
    0  
   83    84    85  
   84    85  
   85  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   73   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   74   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   75   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    56   268.000  1.529
   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    43   250.000  1.527
   40    45   337.000  1.449
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   380.000  1.407
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    76   320.000  1.410
   76    77   553.000  0.945
   50    51   553.000  0.945
   45    46   434.000  1.010
   45    52   490.000  1.335
   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   340.000  1.090
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    54   250.000  1.527
   47    82   320.000  1.380
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    64   320.000  1.410
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   320.000  1.410
   68    69   340.000  1.090
   68    78   268.000  1.529
   68    80   320.000  1.410
   78    79   340.000  1.090
   78    82   320.000  1.410
   78    83   317.000  1.522
   83    84   656.000  1.250
   83    85   656.000  1.250
   80    81   553.000  0.945
   70    71   553.000  0.945
   64    72   335.000  1.682
   72    73   735.000  1.471
   72    74   735.000  1.471
   72    75   735.000  1.471
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    56    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    56    49    50.00000  109.50000
   33    56    57    37.50000  110.70000
   33    56    65    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    70.00000  110.72300
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  110.19100
   40    45    46    38.00000  118.40000
   40    45    52    50.00000  121.90000
   43    40    41    45.00000  108.72000
   43    49    56    60.00000  109.50000
   43    50    51    70.00000  107.92000
   49    43    44    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    65    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    76    50.00000  109.50000
   65    56    57    37.50000  110.70000
   65    76    77    55.00000  108.50000
   67    65    66    33.00000  107.80000
   76    65    66    35.00000  109.50000
   76    65    67    35.00000  109.50000
   50    43    44    60.00000  108.02500
   50    43    49   110.00000  112.08000
   45    40    41    35.00000  109.50000
   45    40    43    70.00000  110.72300
   45    52    53    80.00000  122.90000
   45    52    58    70.00000  116.60000
   52    45    46    35.00000  119.80000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   58    52    53    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    54    90.00000  108.56700
   42    47    82    92.60000  111.55000
   47    54    55    45.00000  108.72000
   47    54    62    75.00000  109.43000
   47    54    64    90.00000  109.38000
   47    82    78    60.00000  109.50000
   54    47    48    45.00000  112.01100
   54    62    63    37.50000  110.70000
   54    62    68    58.35000  112.70000
   54    62    70    50.00000  109.50000
   54    64    72   100.00000  113.05000
   62    54    55    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    78    58.35000  112.70000
   62    68    80    50.00000  109.50000
   62    70    71    55.00000  108.50000
   68    62    63    37.50000  110.70000
   68    78    79    37.50000  110.70000
   68    78    82    50.00000  109.50000
   68    78    83    70.00000  109.69300
   68    80    81    55.00000  108.50000
   78    68    69    37.50000  110.70000
   78    83    84    70.00000  117.00000
   78    83    85    70.00000  117.00000
   82    47    48    35.00000  109.50000
   82    47    54    90.00000  108.56700
   82    78    79    35.00000  109.50000
   83    78    79    35.00000  109.50000
   83    78    82    85.00000  109.63000
   85    83    84    80.00000  126.00000
   80    68    69    35.00000  109.50000
   80    68    78    50.00000  109.50000
   70    62    63    35.00000  109.50000
   70    62    68    50.00000  109.50000
   64    54    55    35.00000  109.50000
   64    54    62    50.00000  109.50000
   64    72    73   135.00000  106.70400
   64    72    74   135.00000  106.70400
   64    72    75   135.00000  106.70400
   74    72    73   115.00000  120.17200
   75    72    73   115.00000  120.17200
   75    72    74   115.00000  120.17200
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    56    49   0.56750  1.0 1.0
   29    33    56    49  -0.07550 -1.0 2.0
   29    33    56    49   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    65   0.44750  1.0 1.0
   29    33    56    65  -0.17800 -1.0 2.0
   29    33    56    65   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45  -0.27100  1.0 1.0
   33    38    40    45  -0.01700 -1.0 2.0
   33    38    40    45  -0.48600  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    56    65    66   0.15000  1.0 3.0
   33    56    65    67   0.15000  1.0 3.0
   33    56    65    76   0.86500  1.0 1.0
   33    56    65    76  -0.17500 -1.0 2.0
   33    56    65    76   0.20800  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    56    49   0.23400  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    65   0.15000  1.0 3.0
   38    33    56    49   0.62750  1.0 1.0
   38    33    56    49  -0.30950 -1.0 2.0
   38    33    56    49   0.27300  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    65   0.56750  1.0 1.0
   38    33    56    65  -0.07550 -1.0 2.0
   38    33    56    65   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.86500  1.0 1.0
   38    40    43    50  -0.17500 -1.0 2.0
   38    40    43    50   0.20800  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    52  -0.43950  1.0 1.0
   38    40    45    52  -0.08100 -1.0 2.0
   38    40    45    52   0.03350  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    54   0.06250  1.0 1.0
   38    42    47    54  -0.01100 -1.0 2.0
   38    42    47    54   0.28050  1.0 3.0
   38    42    47    82  -0.53350  1.0 1.0
   38    42    47    82  -0.78350 -1.0 2.0
   38    42    47    82   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    56   0.06250  1.0 1.0
   40    43    49    56  -0.01100 -1.0 2.0
   40    43    49    56   0.28050  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   40    45    52    53   3.04450 -1.0 2.0
   40    45    52    58   1.49850  1.0 1.0
   40    45    52    58   1.53950 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    52  -0.43950  1.0 1.0
   43    40    45    52  -0.08100 -1.0 2.0
   43    40    45    52   0.03350  1.0 3.0
   43    49   -56    33   0.06250  1.0 1.0
   43    49   -56    33  -0.01100 -1.0 2.0
   43    49   -56    33   0.28050  1.0 3.0
   43    49    56    57   0.37050  1.0 3.0
   43    49    56    65   0.06250  1.0 1.0
   43    49    56    65  -0.01100 -1.0 2.0
   43    49    56    65   0.28050  1.0 3.0
   44    43    49    56   0.37050  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.50000  1.0 1.0
   49    43    50    51  -0.73950 -1.0 2.0
   49    43    50    51   0.17150  1.0 3.0
   49    56    65    66   0.23400  1.0 3.0
   49    56    65    67   0.23400  1.0 3.0
   49    56    65    76   3.69350  1.0 1.0
   49    56    65    76  -1.82950 -1.0 2.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    65    76    77  -0.11600  1.0 1.0
   56    65    76    77  -0.09450 -1.0 2.0
   56    65    76    77   0.21250  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    76   0.23400  1.0 3.0
   66    65    76    77   0.19450  1.0 3.0
   67    65    76    77   0.19450  1.0 3.0
   50    43    49    56  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    49   1.12100  1.0 1.0
   45    40    43    49  -0.16500 -1.0 2.0
   45    40    43    50   2.76900  1.0 1.0
   45    40    43    50  -0.24350 -1.0 2.0
   45    40    43    50  -0.78250  1.0 3.0
   45    52    58    59   0.00000  1.0 1.0
   45    52    58    60   0.00000  1.0 1.0
   45    52    58    61   0.00000  1.0 1.0
   46    45    52    53   2.45000 -1.0 2.0
   46    45    52    58   2.45000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.12100  1.0 1.0
   42    38    40    45  -0.16500 -1.0 2.0
   42    47    54    55   0.23400  1.0 3.0
   42    47    54    62   0.62750  1.0 1.0
   42    47    54    62  -0.30950 -1.0 2.0
   42    47    54    62   0.27300  1.0 3.0
   42    47    54    64   1.11900  1.0 1.0
   42    47    54    64  -1.16350 -1.0 2.0
   42    47    54    64  -0.34150  1.0 3.0
   42    47    82    78  -0.81800  1.0 1.0
   47    54    62    63   0.15000  1.0 3.0
   47    54    62    68   3.97050  1.0 1.0
   47    54    62    70   0.86500  1.0 1.0
   47    54    62    70  -0.17500 -1.0 2.0
   47    54    62    70   0.20800  1.0 3.0
   47    54    64    72   0.37500  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    62   0.15000  1.0 3.0
   48    47    54    64   0.23400  1.0 3.0
   48    47    82    78   0.37050  1.0 3.0
   54    47    82    78   0.06250  1.0 1.0
   54    47    82    78  -0.01100 -1.0 2.0
   54    47    82    78   0.28050  1.0 3.0
   54    62    68    69   0.15000  1.0 3.0
   54    62   -68    78   0.56750  1.0 1.0
   54    62   -68    78  -0.07550 -1.0 2.0
   54    62   -68    78   0.20000  1.0 3.0
   54    62    68    80   0.86500  1.0 1.0
   54    62    68    80  -0.17500 -1.0 2.0
   54    62    68    80   0.20800  1.0 3.0
   54    62    70    71  -0.11600  1.0 1.0
   54    62    70    71  -0.09450 -1.0 2.0
   54    62    70    71   0.21250  1.0 3.0
   54    64    72    73   0.29800  1.0 3.0
   54    64    72    74   0.29800  1.0 3.0
   54    64    72    75   0.29800  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    68   0.15000  1.0 3.0
   55    54    62    70   0.23400  1.0 3.0
   55    54    64    72   0.00000  1.0 1.0
   62    54    64    72   0.37500  1.0 3.0
   62    68    78    79   0.15000  1.0 3.0
   62    68    78    82   0.62750  1.0 1.0
   62    68    78    82  -0.30950 -1.0 2.0
   62    68    78    82   0.27300  1.0 3.0
   62    68    78    83  -1.63150  1.0 1.0
   62    68    78    83  -0.43550 -1.0 2.0
   62    68    78    83   0.24500  1.0 3.0
   62    68    80    81  -0.11600  1.0 1.0
   62    68    80    81  -0.09450 -1.0 2.0
   62    68    80    81   0.21250  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    78   0.15000  1.0 3.0
   63    62    68    80   0.23400  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71  -0.11600  1.0 1.0
   68    62    70    71  -0.09450 -1.0 2.0
   68    62    70    71   0.21250  1.0 3.0
   68    78   -82    47   0.06250  1.0 1.0
   68    78   -82    47  -0.01100 -1.0 2.0
   68    78   -82    47   0.28050  1.0 3.0
   68    78    83    84   0.41150 -1.0 2.0
   68    78    83    85   0.41150 -1.0 2.0
   69    68    78    79   0.15000  1.0 3.0
   69    68    78    82   0.23400  1.0 3.0
   69    68    78    83  -0.11250  1.0 3.0
   69    68    80    81   0.19450  1.0 3.0
   78    68    80    81  -0.11600  1.0 1.0
   78    68    80    81  -0.09450 -1.0 2.0
   78    68    80    81   0.21250  1.0 3.0
   79    78    82    47   0.37050  1.0 3.0
   79    78    83    84   0.00000  1.0 1.0
   79    78    83    85   0.00000  1.0 1.0
   82    47    54    55   0.23400  1.0 3.0
   82    47   -54    62   0.62750  1.0 1.0
   82    47   -54    62  -0.30950 -1.0 2.0
   82    47   -54    62   0.27300  1.0 3.0
   82    47    54    64   1.11900  1.0 1.0
   82    47    54    64  -1.16350 -1.0 2.0
   82    47    54    64  -0.34150  1.0 3.0
   82    78    83    84   0.30150 -1.0 2.0
   82    78    83    85   0.30150 -1.0 2.0
   83    78    82    47  -1.11000  1.0 1.0
   83    78    82    47   0.50250 -1.0 2.0
   83    78    82    47   0.47450  1.0 3.0
   80    68    78    79   0.23400  1.0 3.0
   80    68    78    82   3.69350  1.0 1.0
   80    68    78    82  -1.82950 -1.0 2.0
   80    68    78    83  -5.33000  1.0 1.0
   80    68    78    83  -0.54250 -1.0 2.0
   80    68    78    83  -0.07300  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    78   0.86500  1.0 1.0
   70    62    68    78  -0.17500 -1.0 2.0
   70    62    68    78   0.20800  1.0 3.0
   70    62    68    80   3.75450  1.0 1.0
   64    54    62    63   0.23400  1.0 3.0
   64    54    62    68   0.62750  1.0 1.0
   64    54    62    68  -0.30950 -1.0 2.0
   64    54    62    68   0.27300  1.0 3.0
   64    54    62    70   3.69350  1.0 1.0
   64    54    62    70  -1.82950 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   46    52    45    40   1.00000 -1.0 2.0
   45    58    52    53  10.50000 -1.0 2.0
   84    78    83    85  10.50000 -1.0 2.0
END
