* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    156    244     467
    1     0 S   NP   _N1_     1    29.05518    95.35879   -18.64027
    2     1 S   H    _HN1     2     1.02962    94.85449    26.52109
    3     1 S   H    _H1_     3     1.02840    43.55068   136.22998
    4     1 S   H    _H2_     4     1.02779    72.70247   -81.18365
    5     1 S   CT   _CA1     5     1.50104   149.88591   174.12731
    6     5 S   HC   _HA1     6     1.09563   105.29859    32.35379
    7     5 S   CO3  _C1_     7     1.53847   112.31186   -88.06526
    8     7 S   O2Z  _O11     8     1.26362   114.99702   -44.27010
    9     7 S   O2Z  _O12     9     1.26231   114.94691   134.98000
   10     5 S   CT   _CB1    10     1.53085   107.45987   150.45699
   11    10 S   HC   HB11    11     1.09818   109.59446   -49.06535
   12    10 S   HC   HB12    12     1.09831   110.30227    67.54283
   13    10 S   CT   _CG1    13     1.53012   112.60498  -170.12351
   14    13 S   HC   HG11    14     1.09553   110.43388   -58.07245
   15    13 S   HC   HG12    15     1.09622   110.14859    61.04960
   16    13 S   C    _CD1    16     1.51794   112.07450  -178.70502
   17    16 S   O    _OE1    17     1.22725   123.15512   -12.44979
   18    16 S   N    _N2_    18     1.38556   111.68335   168.06595
   19    18 S   H    _HN2    19     1.01580   119.05665     1.55985
   20    18 S   CT1  _CA2    20     1.46218   123.46662  -177.53788
   21    20 S   HC   _HA2    21     1.09730   109.40151   -12.88877
   22    20 S   C    _C2_    22     1.53412   108.27465  -128.58203
   23    22 S   O    _O2_    23     1.23007   122.31343  -145.67023
   24    20 S   CT   _CB2    32     1.53425   111.22413   109.20001
   25    24 S   HC   HB21    33     1.09500   109.80308    55.97221
   26    24 S   HC   HB22    34     1.09521   110.55988   173.96928
   27    22 S   N    _N3_    24     1.38540   113.33348    41.72188
   28    27 S   H    _HN3    25     1.01525   118.88967    -0.57845
   29    24 S   S    _SG2    35     1.83028   111.66650   -67.31160
   30    27 S   CT   _CA3    26     1.45448   123.44493   175.11028
   31    30 S   HC   HA31    27     1.09523   109.22548    24.57864
   32    30 S   HC   HA32    28     1.09495   107.12178   141.58078
   33    29 S   CT   _C10    36     1.86642   100.58696   137.10725
   34    33 S   HC   _H5_    37     1.10223   104.07401    30.01909
   35    30 S   CO3  _C3_    29     1.52928   113.13491   -98.89260
   36    35 S   O2Z  _O31    30     1.26401   115.41423   -44.16709
   37    35 S   O2Z  _O32    31     1.26357   114.97623   136.77548
   38    33 S   CT   _C11    38     1.55926   107.90245   -78.74801
   39    38 S   HC   _H12    39     1.09648   109.08349   165.47857
   40    38 S   HC   _H13    40     1.09900   108.50947    54.28044
   41    33 S   CT   _C9_    63     1.62551   114.02113   144.40447
   42    41 S   OM   _O37    64     1.33700   103.90034   -75.26176
   43    38 S   CT   _C12    41     1.53460   119.87695   -68.05673
   44    43 S   HC   _H14    42     1.09812   108.55894  -178.78534
   45    43 S   HC   _H15    43     1.09526   110.75491    66.38768
   46    41 S   CO   _C18    65     1.58821   115.34264    39.41072
   47    46 S   HC   _H7_    66     1.09311   112.44387   -35.39553
   48    43 S   CM   _C13    44     1.49871   111.84949   -57.80032
   49    46 S   OS   _O35    67     1.42018   114.27319    89.11696
   50    46 S   OH   _O36    71     1.44337   111.72439  -151.08078
   51    50 S   HO   _H19    72     0.97410   106.58267    -8.77678
   52    48 S   CM   _C14    45     1.34950   120.19672   -76.15050
   53    52 S   HC   _H16    46     1.08878   118.72667    -6.60975
   54    48 S   CT   _C17    68     1.49977   115.02367    96.35817
   55    54 S   HC   _H17    69     1.09527   113.37503     6.01454
   56    54 S   HC   _H18    70     1.09635   108.47295   123.28866
   57    52 S   CT   _C15    47     1.49938   124.73691   162.98050
   58    57 S   HC   _H6_    48     1.09627   111.45354    20.68518
   59    57 S   CT   _C6_    49     1.53606   113.53080  -106.22444
   60    59 S   HC   _H3_    50     1.10166   110.07800   -50.78957
   61    59 S   CM   _C5_    51     1.50117    96.52186  -159.54811
   62    59 S   CT   _C7_    58     1.55849   116.54818    72.21930
   63    62 S   HC   _H4_    59     1.09092   109.26375    57.07946
   64    61 S   CO4  _C16    52     1.48633   107.06454    33.17769
   65    64 S   O    _O34    53     1.21725   127.24281   163.43797
   66    61 S   CM   _C4_    55     1.33540   132.52950  -143.59613
   67    66 S   HC   _H8_    56     1.08230   122.07787    -1.37970
   68    66 S   HC   _H9_    57     1.08575   121.39353   178.21952
   69    62 S   CT   _C8_    60     1.56282   112.29182   -70.98494
   70    69 S   HC   _H10    61     1.10383   108.13248  -112.41781
   71    69 S   HC   _H11    62     1.08721   106.54216    -4.58830
   72    62 S   OS   _O38    73     1.45751   105.99858   174.32273
   73    57 S   OS   _O33    54     1.43881   109.78838   137.31340
   74    72 S   CO4  _C19    74     1.35949   117.92622  -151.12510
   75    74 S   O    _O39    75     1.22228   126.07517     2.69239
   76    74 S   CM   _C20    76     1.49041   109.55158  -178.21239
   77    76 S   CM   _C21    77     1.34218   117.05615  -172.23307
   78    77 S   HC   _H20    78     1.08548   120.97705   179.50623
   79    77 S   HC   _H21    79     1.08540   122.48184    -0.74204
   80    76 S   CT   _C22    80     1.49915   120.65602     6.42861
   81    80 S   HC   _H22    81     1.09521   110.96657   -52.76580
   82    80 S   HC   _H23    82     1.09543   111.58604  -172.78354
   83    80 S   OH   _O40    83     1.42119   109.47964    67.79768
   84    83 S   HO   _H24    84     0.97212   107.08028  -177.50723
  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
  18   8   2   1   1  12   6   5  15   8  10   4   3  12   5  10
   7   3   1  12   5   3   1   1  12   6  15   8  10  11   5   5
   2   3   1   1   4   2   1   5   1   9   3   8   6   2   1   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    69    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    48    62    69    70    71    41    42    46    47    49    50  
   38    39    40    43    69    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    48    52    69    41    42    46    54  
   40    43    44    45    48    41  
   43    44    45    48    41  
   42    46    47    49    54    50    51    72    43    59    62    63    69    70    71  
   46    47    49    50    62    69    70    71  
   44    45    48    52    53    57    49    54    55    56  
   45    48    52    54  
   48    52    54  
   47    49    54    55    56    50    51    48    62    69    70    71  
   49    54    50    51    69  
   52    53    57    58    59    73    49    54    55    56  
   54    55    56    50    51    52    69  
   51    54    69  
    0  
   53    57    58    59    60    61    64    73    62    54    55    56  
   57    58    59    73    54  
   55    56    57  
   56  
    0  
   58    59    60    61    64    65    73    66    62    63    69    72  
   59    60    61    64    73    62  
   60    61    64    65    73    66    67    68    62    63    69    70    71    72    74  
   61    64    73    66    62    63    69    72  
   64    65    73    66    67    68    62    63    69    72  
   63    69    70    71    72    74    75    76    64    66    73  
   69    70    71    72    74  
   65    73    66    67    68  
   73    66  
   67    68    73  
   68  
    0  
   70    71    72    74  
   71    72  
   72  
   74    75    76    77    80  
    0  
   75    76    77    78    79    80    81    82    83  
   76    77    80  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   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
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    52   549.000  1.340
   48    54   317.000  1.510
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    73   320.000  1.410
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    62   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    73   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   340.000  1.090
   62    69   268.000  1.529
   62    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    41   268.000  1.529
   41    42   570.000  1.307
   41    46   250.000  1.527
   46    47   340.000  1.090
   46    49   320.000  1.380
   46    50   380.000  1.407
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   50    51   553.000  0.945
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    69    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    75.00000  109.43000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    48    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    52    70.00000  124.00000
   43    48    54    65.00000  117.92700
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    52    53    35.00000  120.00000
   48    52    57    70.00000  124.00000
   48    54    49    85.00000  110.90400
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    70.00000  112.02700
   52    57    73    85.00000  110.90400
   57    52    53    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    61    70.00000  112.02700
   57    59    62    58.35000  112.70000
   57    73    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    61    64    65.00000  116.34900
   59    61    66    70.00000  124.00000
   59    62    63    37.50000  110.70000
   59    62    69    58.35000  112.70000
   59    62    72    50.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    73    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   73    57    58    35.00000  109.50000
   73    57    59    50.00000  109.50000
   73    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.02700
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    41    58.35000  112.70000
   62    72    74    83.00000  116.90000
   69    62    63    37.50000  110.70000
   69    41    42    50.00000  109.50000
   69    41    46    75.00000  109.43000
   71    69    70    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    69    70    37.50000  110.70000
   41    69    71    37.50000  110.70000
   41    46    47    45.00000  112.01100
   41    46    49    90.00000  108.56700
   41    46    50    90.00000  110.19100
   46    41    42    90.00000  109.38000
   46    49    54    60.00000  109.50000
   46    50    51    70.00000  107.92000
   49    46    47    35.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   54    48    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   50    46    47    60.00000  108.02500
   50    46    49   110.00000  112.08000
   72    62    63    35.00000  109.50000
   72    62    69    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    80    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    79    35.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    90.00000  110.39200
   79    77    78    35.00000  117.00000
   80    76    77    70.00000  124.00000
   80    83    84    55.00000  108.50000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    69   0.44750  1.0 1.0
   29    33    41    69  -0.17800 -1.0 2.0
   29    33    41    69   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    48   0.34400  1.0 1.0
   33    38    43    48   0.09450 -1.0 2.0
   33    38    43    48   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    49   0.62750  1.0 1.0
   33    41    46    49  -0.30950 -1.0 2.0
   33    41    46    49   0.27300  1.0 3.0
   33    41    46    50   0.86500  1.0 1.0
   33    41    46    50  -0.17500 -1.0 2.0
   33    41    46    50   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    43   0.15000  1.0 3.0
   34    33    41    69   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    69   0.56750  1.0 1.0
   38    33    41    69  -0.07550 -1.0 2.0
   38    33    41    69   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   3.97050  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   38    43    48    54   0.46850  1.0 1.0
   38    43    48    54   0.08550 -1.0 2.0
   38    43    48    54   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   43    48    52    53   7.00000 -1.0 2.0
   43    48    52    57   7.00000 -1.0 2.0
   43    48    54    49   0.09700  1.0 1.0
   43    48    54    49   0.15600 -1.0 2.0
   43    48    54    49  -0.50800  1.0 3.0
   43    48    54    55   0.34800  1.0 3.0
   43    48    54    56   0.34800  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    54   0.34800  1.0 3.0
   45    43    48    52   0.00000  1.0 1.0
   45    43    48    54   0.34800  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.09850  1.0 1.0
   48    52    57    59   0.15250 -1.0 2.0
   48    52    57    59  -0.50650  1.0 3.0
   48    52    57    73   0.39000  1.0 1.0
   48    52    57    73  -0.05800 -1.0 2.0
   48    52    57    73  -0.55150  1.0 3.0
   52    48    54    49   0.39000  1.0 1.0
   52    48    54    49  -0.05800 -1.0 2.0
   52    48    54    49  -0.55150  1.0 3.0
   52    48    54    55   0.00000  1.0 1.0
   52    48    54    56   0.00000  1.0 1.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    61   0.31000  1.0 1.0
   52    57    59    61   0.14700 -1.0 2.0
   52    57    59    61   0.07550  1.0 3.0
   52    57    59    62   0.34400  1.0 1.0
   52    57    59    62   0.09450 -1.0 2.0
   52    57    59    62   0.11100  1.0 3.0
   52    57    73    64  -0.82050  1.0 1.0
   52    57    73    64   0.00600 -1.0 2.0
   52    57    73    64   0.04400  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    73   0.00000  1.0 1.0
   57    59   -61    64   0.09700  1.0 1.0
   57    59   -61    64   0.15600 -1.0 2.0
   57    59   -61    64  -0.50800  1.0 3.0
   57    59    61    66   0.09850  1.0 1.0
   57    59    61    66   0.15250 -1.0 2.0
   57    59    61    66  -0.50650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    69   0.56750  1.0 1.0
   57    59    62    69  -0.07550 -1.0 2.0
   57    59    62    69   0.20000  1.0 3.0
   57    59    62    72   0.62750  1.0 1.0
   57    59    62    72  -0.30950 -1.0 2.0
   57    59    62    72   0.27300  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    73    64   0.08050  1.0 3.0
   59    57   -73    64  -0.25900  1.0 1.0
   59    57   -73    64  -0.47000 -1.0 2.0
   59    57   -73    64   0.11750  1.0 3.0
   59    61    64    65  -0.64400  1.0 1.0
   59    61    64    65   0.26850 -1.0 2.0
   59    61   -64    73  -0.15000  1.0 1.0
   59    61   -64    73   0.89550 -1.0 2.0
   59    61   -64    73  -0.06900  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   59    62    69    70   0.15000  1.0 3.0
   59    62    69    71   0.15000  1.0 3.0
   59    62    69    41   0.56750  1.0 1.0
   59    62    69    41  -0.07550 -1.0 2.0
   59    62    69    41   0.20000  1.0 3.0
   59    62    72    74  -0.25900  1.0 1.0
   59    62    72    74  -0.47000 -1.0 2.0
   59    62    72    74   0.11750  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    69   0.15000  1.0 3.0
   60    59    62    72   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    69   0.34400  1.0 1.0
   61    59    62    69   0.09450 -1.0 2.0
   61    59    62    69   0.11100  1.0 3.0
   61    59    62    72   0.61850  1.0 1.0
   61    59    62    72  -0.22750 -1.0 2.0
   61    59    62    72   0.15300  1.0 3.0
   61    64   -73    57   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    73    57   3.00000 -1.0 2.0
   73    57    59    60   0.23400  1.0 3.0
   73    57   -59    61   0.61850  1.0 1.0
   73    57   -59    61  -0.22750 -1.0 2.0
   73    57   -59    61   0.15300  1.0 3.0
   73    57    59    62   0.62750  1.0 1.0
   73    57    59    62  -0.30950 -1.0 2.0
   73    57    59    62   0.27300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    73  -0.56150  1.0 1.0
   66    61    64    73   2.19150 -1.0 2.0
   62    59    61    64   0.09700  1.0 1.0
   62    59    61    64   0.15600 -1.0 2.0
   62    59    61    64  -0.50800  1.0 3.0
   62    59    61    66   0.09850  1.0 1.0
   62    59    61    66   0.15250 -1.0 2.0
   62    59    61    66  -0.50650  1.0 3.0
   62    69    41    33   0.56750  1.0 1.0
   62    69    41    33  -0.07550 -1.0 2.0
   62    69    41    33   0.20000  1.0 3.0
   62    69    41    42   0.62750  1.0 1.0
   62    69    41    42  -0.30950 -1.0 2.0
   62    69    41    42   0.27300  1.0 3.0
   62    69    41    46   3.97050  1.0 1.0
   62    72    74    75   3.00000 -1.0 2.0
   62    72    74    76   2.00000 -1.0 2.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    41   0.15000  1.0 3.0
   63    62    72    74   0.08050  1.0 3.0
   69    62    72    74  -0.25900  1.0 1.0
   69    62    72    74  -0.47000 -1.0 2.0
   69    62    72    74   0.11750  1.0 3.0
   69    41    46    47   0.15000  1.0 3.0
   69    41    46    49   0.62750  1.0 1.0
   69    41    46    49  -0.30950 -1.0 2.0
   69    41    46    49   0.27300  1.0 3.0
   69    41    46    50   0.86500  1.0 1.0
   69    41    46    50  -0.17500 -1.0 2.0
   69    41    46    50   0.20800  1.0 3.0
   70    69    41    33   0.15000  1.0 3.0
   70    69    41    42   0.23400  1.0 3.0
   70    69    41    46   0.15000  1.0 3.0
   71    69    41    33   0.15000  1.0 3.0
   71    69    41    42   0.23400  1.0 3.0
   71    69    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    49    54   0.06250  1.0 1.0
   41    46    49    54  -0.01100 -1.0 2.0
   41    46    49    54   0.28050  1.0 3.0
   41    46    50    51  -0.11600  1.0 1.0
   41    46    50    51  -0.09450 -1.0 2.0
   41    46    50    51   0.21250  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    49   1.11900  1.0 1.0
   42    41    46    49  -1.16350 -1.0 2.0
   42    41    46    49  -0.34150  1.0 3.0
   42    41    46    50   3.69350  1.0 1.0
   42    41    46    50  -1.82950 -1.0 2.0
   46    49    54    48  -0.77900  1.0 1.0
   46    49    54    48  -0.36900 -1.0 2.0
   46    49    54    48   0.40400  1.0 3.0
   46    49    54    55   0.37050  1.0 3.0
   46    49    54    56   0.37050  1.0 3.0
   47    46    49    54   0.37050  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   49    46    50    51  -0.50000  1.0 1.0
   49    46    50    51  -0.73950 -1.0 2.0
   49    46    50    51   0.17150  1.0 3.0
   54    48    52    53   7.00000 -1.0 2.0
   54    48    52    57   7.00000 -1.0 2.0
   50    46    49    54  -0.70900  1.0 1.0
   50    46    49    54  -1.18000 -1.0 2.0
   50    46    49    54   0.91650  1.0 3.0
   72    62    69    70   0.23400  1.0 3.0
   72    62    69    71   0.23400  1.0 3.0
   72    62    69    41   0.62750  1.0 1.0
   72    62    69    41  -0.30950 -1.0 2.0
   72    62    69    41   0.27300  1.0 3.0
   72    74    76    77  -0.56150  1.0 1.0
   72    74    76    77   2.19150 -1.0 2.0
   72    74    76    80  -0.15000  1.0 1.0
   72    74    76    80   0.89550 -1.0 2.0
   72    74    76    80  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    79   7.00000 -1.0 2.0
   74    76    80    81   0.15000  1.0 3.0
   74    76    80    82   0.15000  1.0 3.0
   74    76    80    83   0.09700  1.0 1.0
   74    76    80    83   0.15600 -1.0 2.0
   74    76    80    83  -0.50800  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    80  -0.64400  1.0 1.0
   75    74    76    80   0.26850 -1.0 2.0
   76    80    83    84  -0.07800  1.0 1.0
   76    80    83    84  -0.21500 -1.0 2.0
   76    80    83    84  -0.03150  1.0 3.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    82   0.00000  1.0 1.0
   77    76    80    83   0.67800  1.0 1.0
   77    76    80    83   0.47050 -1.0 2.0
   77    76    80    83  -0.62500  1.0 3.0
   80    76    77    78   7.00000 -1.0 2.0
   80    76    77    79   7.00000 -1.0 2.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    54    48    52   1.10000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   61    73    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    80    76    77  15.00000 -1.0 2.0
   78    79    77    76  15.00000 -1.0 2.0
END
