* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    159    237     473
    1     0 S   NP   _N1_     1    28.91981    95.76825   -19.56770
    2     1 S   H    _HN1     2     1.02770    80.37467   -71.76130
    3     1 S   H    _H1_     3     1.02964    89.42233    36.99733
    4     1 S   H    _H2_     4     1.02830    40.02434   154.73498
    5     1 S   CT   _CA1     5     1.50181   150.07489   169.70493
    6     5 S   HC   _HA1     6     1.09574   105.15988    48.88929
    7     5 S   CO3  _C1_     7     1.53811   112.53427   -71.09572
    8     7 S   O2Z  _O11     8     1.26357   114.99640   -36.86513
    9     7 S   O2Z  _O12     9     1.26251   114.99676   142.24679
   10     5 S   CT   _CB1    10     1.53111   107.36486   166.80666
   11    10 S   HC   HB11    11     1.09816   109.24225   -49.57129
   12    10 S   HC   HB12    12     1.09826   110.38153    66.96867
   13    10 S   CT   _CG1    13     1.52991   112.80652  -170.75148
   14    13 S   HC   HG11    14     1.09540   110.31448   -64.84393
   15    13 S   HC   HG12    15     1.09646   110.10616    54.32488
   16    13 S   C    _CD1    16     1.51829   112.39609   174.43102
   17    16 S   O    _OE1    17     1.22718   123.25998    -8.87425
   18    16 S   N    _N2_    18     1.38630   111.62776   171.91830
   19    18 S   H    _HN2    19     1.01590   118.96960     0.53376
   20    18 S   CT1  _CA2    20     1.46259   123.46285  -179.45860
   21    20 S   HC   _HA2    21     1.09734   109.35614   -14.74743
   22    20 S   C    _C2_    22     1.53425   108.22071  -130.39934
   23    22 S   O    _O2_    23     1.23008   122.27876  -145.57259
   24    20 S   CT   _CB2    32     1.53410   111.35020   107.46735
   25    24 S   HC   HB21    33     1.09571   109.68626    54.53375
   26    24 S   HC   HB22    34     1.09501   110.63675   173.07638
   27    22 S   N    _N3_    24     1.38522   113.31932    41.76308
   28    27 S   H    _HN3    25     1.01534   118.90226    -0.60974
   29    24 S   S    _SG2    35     1.82937   111.61783   -67.71954
   30    27 S   CT   _CA3    26     1.45454   123.49013   175.15087
   31    30 S   HC   HA31    27     1.09520   109.28682    23.33454
   32    30 S   HC   HA32    28     1.09497   107.10752   140.34692
   33    29 S   CT   _C13    36     1.84850   100.11402   142.58970
   34    33 S   HC   _H3_    37     1.09544   105.16605   -46.72174
   35    30 S   CO3  _C3_    29     1.52924   113.08813  -100.17833
   36    35 S   O2Z  _O31    30     1.26404   115.39782   -44.56713
   37    35 S   O2Z  _O32    31     1.26353   114.98789   136.36271
   38    33 S   CT   _C6_    38     1.53959   107.42453  -162.92692
   39    38 S   HC   _H23    39     1.09732   112.36425   -42.95275
   40    38 S   HC   _H24    40     1.09303   111.37789  -160.86291
   41    33 S   CT   _C11    59     1.56228   110.96122    70.88234
   42    41 S   HC   _H30    60     1.09695   108.16136   -33.52618
   43    38 S   CO4  _C4_    41     1.52432   112.39888    79.66238
   44    43 S   O    _O18    42     1.23094   120.97453  -101.47069
   45    41 S   CT   _C18    61     1.53584   112.52564    83.91852
   46    45 S   HC   _H43    62     1.09429   112.05832    72.43570
   47    45 S   HC   _H44    63     1.09478   111.20812   -48.90592
   48    45 S   HC   _H45    64     1.09456   110.94536  -167.44763
   49    43 S   CT   _C8_    43     1.53041   116.72566    79.25828
   50    49 S   HC   _H27    44     1.09277   105.92524   -37.55165
   51    49 S   CT   _C7_    45     1.53851   109.43202    82.01293
   52    51 S   HC   _H25    46     1.09589   109.99033   -40.15825
   53    51 S   HC   _H26    47     1.09919   108.56996    73.58206
   54    49 S   CT   _C15    82     1.52614   110.88962  -153.72288
   55    54 S   HC   _H34    83     1.09523   111.40762   -66.40751
   56    54 S   HC   _H35    84     1.09423   111.18897   172.87707
   57    54 S   HC   _H36    85     1.09510   110.65710    53.17663
   58    51 S   CT   _C10    48     1.54689   115.48220  -164.22643
   59    58 S   HC   _H29    49     1.09851   107.83650   -65.63103
   60    58 S   CT   _C12    50     1.55302   114.50562    53.41239
   61    60 S   HC   _H31    51     1.09553   107.59740   -62.92222
   62    58 S   CT   _C17    78     1.53576   109.36636   179.84934
   63    62 S   HC   _H40    79     1.09458   111.64131   -62.61464
   64    62 S   HC   _H41    80     1.09460   111.34532   176.38296
   65    62 S   HC   _H42    81     1.09554   110.50520    57.17667
   66    60 S   CT   _C9_    52     1.55089   114.94936    59.49975
   67    66 S   HC   _H28    53     1.09503   109.97459   -12.66459
   68    60 S   OH   _O21    76     1.43054   109.25626  -175.96206
   69    68 S   HO   _H51    77     0.97255   107.66649    56.29587
   70    66 S   CO4  _C5_    54     1.52170   108.87313  -129.38378
   71    70 S   O    _O19    55     1.22416   124.23810   -60.60228
   72    66 S   CT   _C16    72     1.52744   115.14676   108.62516
   73    72 S   HC   _H37    73     1.09557   111.86833    62.81997
   74    72 S   HC   _H38    74     1.09439   111.09803   -58.60447
   75    72 S   HC   _H39    75     1.09596   110.41586  -178.20223
   76    70 S   OS   _O20    56     1.36610   109.89119   118.30228
   77    76 S   CT   _C14    57     1.44662   117.72219  -174.98530
   78    77 S   HC   _H33    58     1.09882   108.65917    34.50044
   79    77 S   CT   _C20    65     1.53921   108.37048   -83.31125
   80    79 S   HC   _H49    66     1.09625   110.46075   -58.07278
   81    79 S   HC   _H50    67     1.09705   109.01567    56.49445
   82    79 S   CT   _C19    68     1.52016   113.83587   177.45270
   83    82 S   HC   _H46    69     1.09453   110.98701   -54.45287
   84    82 S   HC   _H47    70     1.09481   110.01672  -173.89529
   85    82 S   HC   _H48    71     1.09355   111.72625    66.78595
  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
  17   8   2   1   1  12   5   4  14   8  11   4   7   3   2   1
  12   8  16   6   5   4   2   1   1  13   8  16   7   5   2   1
   1  11   8   3   1   9   3   4   2   1   1   6   8   4   6   5
   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    77    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    76    77    78    41    42    45    46    47    48    79  
   38    39    40    43    77    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    51    77    41    42    45    54  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    47    48    79    80    81    82    43    70    76    77    78  
   45    46    47    48    79    76    77    78  
   44    49    50    51    52    53    58    54    55    56    57  
   49    50    51    54  
   46    47    48    79    76    77    78  
   47    48    77  
   48    77  
   77  
   50    51    52    53    58    59    60    62    54    55    56    57  
   51    52    53    58    54    55    56    57  
   52    53    58    59    60    61    66    68    62    63    64    65    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    66    67    70    72    68    69    62    63    64    65  
   60    61    66    68    62    63    64    65  
   61    66    67    70    71    76    72    73    74    75    68    69    62    63    64    65  
   66    67    70    72    68    69    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    70    71    76    77    72    73    74    75    68    69  
   70    71    76    72    73    74    75    68  
   69    70    72  
    0  
   71    76    77    78    79    72    73    74    75  
   76    77    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78    79    80    81    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82    83    84    85  
   81    82    83    84    85  
   82    83    84    85  
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   320.000  1.410
   66    67   340.000  1.090
   66    70   317.000  1.522
   66    72   268.000  1.529
   70    71   570.000  1.229
   70    76   214.000  1.327
   76    77   320.000  1.410
   77    78   340.000  1.090
   77    41   268.000  1.529
   77    79   268.000  1.529
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
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    63.00000  111.10000
   33    41    77    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    49    70.00000  116.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    63.00000  111.10000
   43    49    54    63.00000  111.10000
   49    43    44    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    66    58.35000  112.70000
   58    60    68    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    70    63.00000  111.10000
   60    66    72    58.35000  112.70000
   60    68    69    55.00000  108.50000
   66    60    61    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    76    81.00000  111.40000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    37.50000  110.70000
   70    66    67    35.00000  109.50000
   70    76    77    83.00000  116.90000
   76    70    71    83.00000  123.40000
   76    77    78    35.00000  109.50000
   76    77    41    50.00000  109.50000
   76    77    79    50.00000  109.50000
   77    41    42    37.50000  110.70000
   77    41    45    58.35000  112.70000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    77    78    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   79    77    78    37.50000  110.70000
   79    77    41    58.35000  112.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    70    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    66    50.00000  109.50000
   62    58    59    37.50000  110.70000
   62    58    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
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   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    77   0.44750  1.0 1.0
   29    33    41    77  -0.17800 -1.0 2.0
   29    33    41    77   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    49   0.60050  1.0 1.0
   33    38    43    49   0.05600 -1.0 2.0
   33    38    43    49   0.26150  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  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  -0.11250  1.0 3.0
   34    33    41    77   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    77   0.56750  1.0 1.0
   38    33    41    77  -0.07550 -1.0 2.0
   38    33    41    77   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    50   0.00000  1.0 1.0
   38    43    49    51   0.60050  1.0 1.0
   38    43    49    51   0.05600 -1.0 2.0
   38    43    49    51   0.26150  1.0 3.0
   38    43    49    54   0.60050  1.0 1.0
   38    43    49    54   0.05600 -1.0 2.0
   38    43    49    54   0.26150  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    49   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    49   0.00000  1.0 1.0
   43    49    51    52  -0.11250  1.0 3.0
   43    49    51    53  -0.11250  1.0 3.0
   43    49    51    58  -0.95700  1.0 1.0
   43    49    51    58  -0.18200 -1.0 2.0
   43    49    51    58   0.29450  1.0 3.0
   43    49    54    55  -0.11250  1.0 3.0
   43    49    54    56  -0.11250  1.0 3.0
   43    49    54    57  -0.11250  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.30150 -1.0 2.0
   44    43    49    54   0.30150 -1.0 2.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.56750  1.0 1.0
   49    51    58    60  -0.07550 -1.0 2.0
   49    51    58    60   0.20000  1.0 3.0
   49    51    58    62   0.56750  1.0 1.0
   49    51    58    62  -0.07550 -1.0 2.0
   49    51    58    62   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    58   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    57   0.15000  1.0 3.0
   51    58    60    61   0.15000  1.0 3.0
   51    58    60    66   0.56750  1.0 1.0
   51    58    60    66  -0.07550 -1.0 2.0
   51    58    60    66   0.20000  1.0 3.0
   51    58    60    68   0.86500  1.0 1.0
   51    58    60    68  -0.17500 -1.0 2.0
   51    58    60    68   0.20800  1.0 3.0
   51    58    62    63   0.15000  1.0 3.0
   51    58    62    64   0.15000  1.0 3.0
   51    58    62    65   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    62   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    62   0.15000  1.0 3.0
   58    60    66    67   0.15000  1.0 3.0
   58    60    66    70  -0.95700  1.0 1.0
   58    60    66    70  -0.18200 -1.0 2.0
   58    60    66    70   0.29450  1.0 3.0
   58    60    66    72   0.56750  1.0 1.0
   58    60    66    72  -0.07550 -1.0 2.0
   58    60    66    72   0.20000  1.0 3.0
   58    60    68    69  -0.11600  1.0 1.0
   58    60    68    69  -0.09450 -1.0 2.0
   58    60    68    69   0.21250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    66   0.15000  1.0 3.0
   59    58    60    68   0.23400  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   60    66    70    71   0.30150 -1.0 2.0
   60    66    70    76   0.36750  1.0 3.0
   60    66    72    73   0.15000  1.0 3.0
   60    66    72    74   0.15000  1.0 3.0
   60    66    72    75   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    70  -0.11250  1.0 3.0
   61    60    66    72   0.15000  1.0 3.0
   61    60    68    69   0.19450  1.0 3.0
   66    60    68    69  -0.11600  1.0 1.0
   66    60    68    69  -0.09450 -1.0 2.0
   66    60    68    69   0.21250  1.0 3.0
   66    70    76    77   1.63150  1.0 1.0
   66    70    76    77   2.92000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    76   0.00000  1.0 1.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   70    66    72    73  -0.11250  1.0 3.0
   70    66    72    74  -0.11250  1.0 3.0
   70    66    72    75  -0.11250  1.0 3.0
   70    76    77    78   0.08050  1.0 3.0
   70    76    77    41  -0.25900  1.0 1.0
   70    76    77    41  -0.47000 -1.0 2.0
   70    76    77    41   0.11750  1.0 3.0
   70    76    77    79  -0.25900  1.0 1.0
   70    76    77    79  -0.47000 -1.0 2.0
   70    76    77    79   0.11750  1.0 3.0
   71    70    76    77   3.00000 -1.0 2.0
   76    77    41    33   0.62750  1.0 1.0
   76    77    41    33  -0.30950 -1.0 2.0
   76    77    41    33   0.27300  1.0 3.0
   76    77    41    42   0.23400  1.0 3.0
   76    77    41    45   0.62750  1.0 1.0
   76    77    41    45  -0.30950 -1.0 2.0
   76    77    41    45   0.27300  1.0 3.0
   76    77    79    80   0.23400  1.0 3.0
   76    77    79    81   0.23400  1.0 3.0
   76    77    79    82   0.62750  1.0 1.0
   76    77    79    82  -0.30950 -1.0 2.0
   76    77    79    82   0.27300  1.0 3.0
   77    41    45    46   0.15000  1.0 3.0
   77    41    45    47   0.15000  1.0 3.0
   77    41    45    48   0.15000  1.0 3.0
   77    79    82    83   0.15000  1.0 3.0
   77    79    82    84   0.15000  1.0 3.0
   77    79    82    85   0.15000  1.0 3.0
   78    77    41    33   0.15000  1.0 3.0
   78    77    41    42   0.15000  1.0 3.0
   78    77    41    45   0.15000  1.0 3.0
   78    77    79    80   0.15000  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   78    77    79    82   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  -0.95700  1.0 1.0
   41    33    38    43  -0.18200 -1.0 2.0
   41    33    38    43   0.29450  1.0 3.0
   41    77    79    80   0.15000  1.0 3.0
   41    77    79    81   0.15000  1.0 3.0
   41    77    79    82   0.56750  1.0 1.0
   41    77    79    82  -0.07550 -1.0 2.0
   41    77    79    82   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   79    77    41    33   0.56750  1.0 1.0
   79    77    41    33  -0.07550 -1.0 2.0
   79    77    41    33   0.20000  1.0 3.0
   79    77    41    42   0.15000  1.0 3.0
   79    77    41    45   0.56750  1.0 1.0
   79    77    41    45  -0.07550 -1.0 2.0
   79    77    41    45   0.20000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   72    66    70    71   0.30150 -1.0 2.0
   72    66    70    76   0.36750  1.0 3.0
   68    60    66    67   0.23400  1.0 3.0
   68    60    66    70  -0.09450  1.0 1.0
   68    60    66    70  -1.12950 -1.0 2.0
   68    60    66    70   0.54000  1.0 3.0
   68    60    66    72   0.86500  1.0 1.0
   68    60    66    72  -0.17500 -1.0 2.0
   68    60    66    72   0.20800  1.0 3.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    66   0.56750  1.0 1.0
   62    58    60    66  -0.07550 -1.0 2.0
   62    58    60    66   0.20000  1.0 3.0
   62    58    60    68   0.86500  1.0 1.0
   62    58    60    68  -0.17500 -1.0 2.0
   62    58    60    68   0.20800  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    58   0.56750  1.0 1.0
   54    49    51    58  -0.07550 -1.0 2.0
   54    49    51    58   0.20000  1.0 3.0
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
   38    49    43    44  10.50000 -1.0 2.0
   66    76    70    71  10.50000 -1.0 2.0
END
