* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    162    240     479
    1     0 S   NP   _N1_     1    28.65662    92.53306   -24.14133
    2     1 S   H    _HN1     2     1.02831    17.64531  -172.79731
    3     1 S   H    _H1_     3     1.02776   108.18885   -80.87184
    4     1 S   H    _H2_     4     1.02951    90.78867    28.72955
    5     1 S   CT   _CA1     5     1.50168   124.32965   144.30353
    6     5 S   HC   _HA1     6     1.09572   105.21122    72.20801
    7     5 S   CO3  _C1_     7     1.53837   112.02835   -47.98577
    8     7 S   O2Z  _O11     8     1.26385   114.99931   -49.16037
    9     7 S   O2Z  _O12     9     1.26209   114.97468   129.49978
   10     5 S   CT   _CB1    10     1.53077   107.34765  -169.90342
   11    10 S   HC   HB11    11     1.09832   109.51192   -48.85293
   12    10 S   HC   HB12    12     1.09808   110.46691    67.78363
   13    10 S   CT   _CG1    13     1.52991   112.52292  -169.74499
   14    13 S   HC   HG11    14     1.09592   110.59623   -61.96420
   15    13 S   HC   HG12    15     1.09622   109.73635    57.25785
   16    13 S   C    _CD1    16     1.51847   112.16606   177.53884
   17    16 S   O    _OE1    17     1.22785   123.15268     0.85042
   18    16 S   N    _N2_    18     1.38601   111.80287  -179.24385
   19    18 S   H    _HN2    19     1.01918   118.75281     3.58747
   20    18 S   CT1  _CA2    20     1.46004   123.24259  -179.93744
   21    20 S   HC   _HA2    21     1.09595   108.72236   -14.16679
   22    20 S   C    _C2_    22     1.53502   109.10080  -129.35920
   23    22 S   O    _O2_    23     1.23065   122.05107  -150.54400
   24    20 S   CT   _CB2    32     1.53502   112.39653   107.55083
   25    24 S   HC   HB21    33     1.09565   110.02094    56.66212
   26    24 S   HC   HB22    34     1.09513   109.69399   175.43919
   27    22 S   N    _N3_    24     1.38393   113.54397    37.44041
   28    27 S   H    _HN3    25     1.01532   118.90495    -4.12051
   29    24 S   S    _SG2    35     1.82991   112.21817   -64.51746
   30    27 S   CT   _CA3    26     1.45378   123.58263   174.51481
   31    30 S   HC   HA31    27     1.09514   109.43734    22.26443
   32    30 S   HC   HA32    28     1.09507   107.14939   139.21071
   33    29 S   CT   _C13    36     1.84528   100.21593  -163.28917
   34    33 S   HC   _H4_    37     1.09597   106.81258    55.25288
   35    30 S   CO3  _C3_    29     1.52871   112.65072  -101.27057
   36    35 S   O2Z  _O31    30     1.26442   115.24300   -53.68927
   37    35 S   O2Z  _O32    31     1.26347   115.18844   127.01561
   38    33 S   CM   _C14    38     1.50927   108.92970   -63.19554
   39    38 S   HC   _H21    39     1.08848   117.29097   -58.69894
   40    33 S   CT   _C12    65     1.55039   112.29919   174.02880
   41    40 S   HC   _H3_    66     1.09871   108.37304   173.82464
   42    38 S   CM   _C15    40     1.34277   123.52362   120.26655
   43    42 S   HC   _H22    41     1.08757   119.57539     0.77556
   44    40 S   CT   _C11    67     1.54020   114.81777   -64.82397
   45    44 S   HC   _H19    68     1.09853   108.56017   174.16753
   46    44 S   HC   _H20    69     1.09355   110.59357    60.61245
   47    40 S   OH   _O36    90     1.43229   110.07362    58.05155
   48    47 S   HO   _H34    91     0.97229   107.70390   175.46750
   49    42 S   CT   _C16    42     1.50157   123.45247  -177.00762
   50    49 S   HC   _H5_    43     1.09681   110.23530   -10.64989
   51    44 S   CM   _C10    70     1.50137   113.01869   -66.91171
   52    51 S   HC   _H18    71     1.08944   115.02258   -64.44277
   53    49 S   CT   _C17    44     1.53416   110.01228   112.29506
   54    53 S   HC   _H23    45     1.09729   110.66815   -38.76067
   55    53 S   HC   _H24    46     1.09785   110.38992    78.47411
   56    49 S   OH   _O35    63     1.42536   107.71146  -127.80764
   57    56 S   HO   _H33    64     0.97223   107.39960   177.48060
   58    51 S   CM   _C9_    72     1.34179   128.08037   116.60380
   59    58 S   HC   _H17    73     1.08942   116.92597   178.84784
   60    53 S   CM   _C18    47     1.50501   112.33580  -161.20455
   61    60 S   HC   _H25    48     1.08777   116.35760   -89.80877
   62    58 S   CT   _C8_    74     1.50118   127.90817    -1.03514
   63    62 S   HC   _H15    75     1.09671   108.27363   119.88874
   64    62 S   HC   _H16    76     1.09336   111.96523     2.70834
   65    60 S   CM   _C19    49     1.34283   125.46395    92.64159
   66    65 S   HC   _H26    50     1.08793   118.08654   177.37803
   67    62 S   CT   _C7_    77     1.53071   110.90287  -119.89968
   68    67 S   HC   _H13    78     1.09700   109.78420    57.71047
   69    67 S   HC   _H14    79     1.09747   109.79824   -59.52166
   70    65 S   CT   _C20    51     1.50231   125.75511    -4.59018
   71    70 S   HC   _H27    52     1.09701   108.40148  -141.65109
   72    70 S   HC   _H28    53     1.09626   110.61669   -26.12064
   73    67 S   CT   _C6_    80     1.52950   111.35616   179.10957
   74    73 S   HC   _H11    81     1.09680   109.67307    58.76487
   75    73 S   HC   _H12    82     1.09642   109.53651   -58.39355
   76    70 S   CT   _C21    54     1.52850   111.99307    96.98741
   77    76 S   HC   _H29    55     1.09758   110.01088   -55.34202
   78    76 S   HC   _H30    56     1.09732   109.74192    61.77878
   79    73 S   CT   _C5_    83     1.52847   111.22096  -179.93744
   80    79 S   HC   _H9_    84     1.09562   110.04040    55.44940
   81    79 S   HC   _H10    85     1.09621   109.73683   -62.14629
   82    76 S   CT   _C22    57     1.52550   110.93053  -176.45580
   83    82 S   HC   _H31    58     1.09721   109.37818    52.34517
   84    82 S   HC   _H32    59     1.09652   109.91098   -65.12365
   85    79 S   CT   _C4_    86     1.51986   111.53381   176.66822
   86    85 S   HC   _H6_    87     1.09458   111.03672    59.31221
   87    85 S   HC   _H7_    88     1.09479   110.96850   -61.24988
   88    85 S   HC   _H8_    89     1.09431   110.21651   179.04735
   89    82 S   CO3  _C23    60     1.53035   114.10118   173.73040
   90    89 S   O2Z  _O34    61     1.26503   114.07206  -153.81653
   91    89 S   O2Z  _O33    62     1.26122   116.45158    26.58141
  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   9   5   4   3
  14   7   2   1   1  11   4  10   6   9   4   9   5   4   2   1
   9   6   7   3   9   5   4   2   1   8   4   7   3   9   5   4
   8   4   9   5   4   9   5   4   9   5   4   8   5   4   6   5
   4   5   4   3   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    40    41    44    45    46    51    47    48  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    53    56    40    41    44    47  
   42    43    49    40  
   41    44    45    46    51    52    58    47    48    42  
   44    45    46    51    47    48  
   43    49    50    53    54    55    60    56    57  
   49    50    53    56  
   45    46    51    52    58    59    62    47    48  
   46    51    52    58    47  
   51    52    58    47  
   48    51  
    0  
   50    53    54    55    60    61    65    56    57  
   53    54    55    60    56    57  
   52    58    59    62    63    64    67  
   58    59    62  
   54    55    60    61    65    66    70    56    57  
   55    60    61    65    56  
   60    61    65    56  
   57    60  
    0  
   59    62    63    64    67    68    69    73  
   62    63    64    67  
   61    65    66    70    71    72    76  
   65    66    70  
   63    64    67    68    69    73    74    75    79  
   64    67    68    69    73  
   67    68    69    73  
   66    70    71    72    76    77    78    82  
   70    71    72    76  
   68    69    73    74    75    79    80    81    85  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84    89  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81    85    86    87    88  
   75    79    80    81    85  
   79    80    81    85  
   77    78    82    83    84    89    90    91  
   78    82    83    84    89  
   82    83    84    89  
   80    81    85    86    87    88  
   81    85    86    87    88  
   85    86    87    88  
   83    84    89    90    91  
   84    89    90    91  
   89    90    91  
   86    87    88  
   87    88  
   88  
    0  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    49   317.000  1.510
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   317.000  1.510
   60    61   340.000  1.080
   60    65   549.000  1.340
   65    66   340.000  1.080
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
   56    57   553.000  0.945
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   317.000  1.510
   51    52   340.000  1.080
   51    58   549.000  1.340
   58    59   340.000  1.080
   58    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   47    48   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    49    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    49    50    35.00000  109.50000
   42    49    53    70.00000  112.02700
   42    49    56    90.00000  110.39200
   49    42    43    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    60    70.00000  112.02700
   49    56    57    55.00000  108.50000
   53    49    50    37.50000  110.70000
   53    60    61    35.00000  117.00000
   53    60    65    70.00000  124.00000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    65    66    35.00000  120.00000
   60    65    70    70.00000  124.00000
   65    60    61    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    76    70.00000  112.02700
   70    65    66    35.00000  117.00000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    89    70.00000  109.69300
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    89    90    70.00000  117.00000
   82    89    91    70.00000  117.00000
   84    82    83    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    84    35.00000  109.50000
   91    89    90    80.00000  126.00000
   56    49    50    35.00000  109.50000
   56    49    53    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    51    70.00000  112.02700
   40    47    48    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    51    52    35.00000  117.00000
   44    51    58    70.00000  124.00000
   46    44    45    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    46    35.00000  109.50000
   51    58    59    35.00000  120.00000
   51    58    62    70.00000  124.00000
   58    51    52    35.00000  120.00000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    67    70.00000  112.02700
   62    58    59    35.00000  117.00000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    85    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    37.50000  110.70000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   47    40    41    35.00000  109.50000
   47    40    44    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    51   0.34400  1.0 1.0
   33    40    44    51   0.09450 -1.0 2.0
   33    40    44    51   0.11100  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    47   1.05650  1.0 1.0
   38    33    40    47   0.15600 -1.0 2.0
   38    33    40    47   0.53150  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    53   0.09850  1.0 1.0
   38    42    49    53   0.15250 -1.0 2.0
   38    42    49    53  -0.50650  1.0 3.0
   38    42    49    56   0.67800  1.0 1.0
   38    42    49    56   0.47050 -1.0 2.0
   38    42    49    56  -0.62500  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    49    53    54   0.15000  1.0 3.0
   42    49    53    55   0.15000  1.0 3.0
   42    49    53    60   0.31000  1.0 1.0
   42    49    53    60   0.14700 -1.0 2.0
   42    49    53    60   0.07550  1.0 3.0
   42    49    56    57  -0.07800  1.0 1.0
   42    49    56    57  -0.21500 -1.0 2.0
   42    49    56    57  -0.03150  1.0 3.0
   43    42    49    50   0.33100  1.0 3.0
   43    42    49    53   0.00000  1.0 1.0
   43    42    49    56   0.00000  1.0 1.0
   49    53    60    61   0.00000  1.0 1.0
   49    53    60    65   0.09850  1.0 1.0
   49    53    60    65   0.15250 -1.0 2.0
   49    53    60    65  -0.50650  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    60   0.15000  1.0 3.0
   50    49    56    57   0.19450  1.0 3.0
   53    49    56    57  -0.11600  1.0 1.0
   53    49    56    57  -0.09450 -1.0 2.0
   53    49    56    57   0.21250  1.0 3.0
   53    60    65    66   7.00000 -1.0 2.0
   53    60    65    70   7.00000 -1.0 2.0
   54    53    60    61   0.33100  1.0 3.0
   54    53    60    65   0.00000  1.0 1.0
   55    53    60    61   0.33100  1.0 3.0
   55    53    60    65   0.00000  1.0 1.0
   60    65    70    71   0.00000  1.0 1.0
   60    65    70    72   0.00000  1.0 1.0
   60    65    70    76   0.09850  1.0 1.0
   60    65    70    76   0.15250 -1.0 2.0
   60    65    70    76  -0.50650  1.0 3.0
   61    60    65    66   7.00000 -1.0 2.0
   61    60    65    70   7.00000 -1.0 2.0
   65    70    76    77   0.15000  1.0 3.0
   65    70    76    78   0.15000  1.0 3.0
   65    70    76    82   0.34400  1.0 1.0
   65    70    76    82   0.09450 -1.0 2.0
   65    70    76    82   0.11100  1.0 3.0
   66    65    70    71   0.33100  1.0 3.0
   66    65    70    72   0.33100  1.0 3.0
   66    65    70    76   0.00000  1.0 1.0
   70    76    82    83   0.15000  1.0 3.0
   70    76    82    84   0.15000  1.0 3.0
   70    76    82    89  -1.63150  1.0 1.0
   70    76    82    89  -0.43550 -1.0 2.0
   70    76    82    89   0.24500  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82   0.15000  1.0 3.0
   76    82    89    90   0.41150 -1.0 2.0
   76    82    89    91   0.41150 -1.0 2.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    89  -0.11250  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    89  -0.11250  1.0 3.0
   83    82    89    90   0.00000  1.0 1.0
   83    82    89    91   0.00000  1.0 1.0
   84    82    89    90   0.00000  1.0 1.0
   84    82    89    91   0.00000  1.0 1.0
   56    49    53    54   0.23400  1.0 3.0
   56    49    53    55   0.23400  1.0 3.0
   56    49    53    60   1.05650  1.0 1.0
   56    49    53    60   0.15600 -1.0 2.0
   56    49    53    60   0.53150  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    51    52   0.00000  1.0 1.0
   40    44    51    58   0.09850  1.0 1.0
   40    44    51    58   0.15250 -1.0 2.0
   40    44    51    58  -0.50650  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48  -0.11600  1.0 1.0
   44    40    47    48  -0.09450 -1.0 2.0
   44    40    47    48   0.21250  1.0 3.0
   44    51    58    59   7.00000 -1.0 2.0
   44    51    58    62   7.00000 -1.0 2.0
   45    44    51    52   0.33100  1.0 3.0
   45    44    51    58   0.00000  1.0 1.0
   46    44    51    52   0.33100  1.0 3.0
   46    44    51    58   0.00000  1.0 1.0
   51    58    62    63   0.00000  1.0 1.0
   51    58    62    64   0.00000  1.0 1.0
   51    58    62    67   0.09850  1.0 1.0
   51    58    62    67   0.15250 -1.0 2.0
   51    58    62    67  -0.50650  1.0 3.0
   52    51    58    59   7.00000 -1.0 2.0
   52    51    58    62   7.00000 -1.0 2.0
   58    62    67    68   0.15000  1.0 3.0
   58    62    67    69   0.15000  1.0 3.0
   58    62    67    73   0.34400  1.0 1.0
   58    62    67    73   0.09450 -1.0 2.0
   58    62    67    73   0.11100  1.0 3.0
   59    58    62    63   0.33100  1.0 3.0
   59    58    62    64   0.33100  1.0 3.0
   59    58    62    67   0.00000  1.0 1.0
   62    67    73    74   0.15000  1.0 3.0
   62    67    73    75   0.15000  1.0 3.0
   62    67    73    79   0.56750  1.0 1.0
   62    67    73    79  -0.07550 -1.0 2.0
   62    67    73    79   0.20000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    73   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    73   0.15000  1.0 3.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    85   0.56750  1.0 1.0
   67    73    79    85  -0.07550 -1.0 2.0
   67    73    79    85   0.20000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79   0.15000  1.0 3.0
   73    79    85    86   0.15000  1.0 3.0
   73    79    85    87   0.15000  1.0 3.0
   73    79    85    88   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    85   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    85   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.15000  1.0 3.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    51   1.05650  1.0 1.0
   47    40    44    51   0.15600 -1.0 2.0
   47    40    44    51   0.53150  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
   33    39    38    42  15.00000 -1.0 2.0
   49    43    42    38  15.00000 -1.0 2.0
   53    61    60    65  15.00000 -1.0 2.0
   70    66    65    60  15.00000 -1.0 2.0
   90    82    89    91  10.50000 -1.0 2.0
   44    52    51    58  15.00000 -1.0 2.0
   62    59    58    51  15.00000 -1.0 2.0
END
