* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    157    242     452
    1     0 S   NP   _N1_     1    28.96117    95.63509   -24.36305
    2     1 S   H    _HN1     2     1.02961    76.03091    16.24294
    3     1 S   H    _H1_     3     1.02821    32.18581  -179.30395
    4     1 S   H    _H2_     4     1.02780   110.77553   -88.37804
    5     1 S   CT   _CA1     5     1.50152   131.22115   121.18538
    6     5 S   HC   _HA1     6     1.09580   105.16888    88.57688
    7     5 S   CO3  _C1_     7     1.53790   112.49001   -31.49381
    8     7 S   O2Z  _O11     8     1.26367   115.02236   -40.73919
    9     7 S   O2Z  _O12     9     1.26253   114.94935   138.28263
   10     5 S   CT   _CB1    10     1.53062   107.34316  -153.56750
   11    10 S   HC   HB11    11     1.09830   109.21284   -50.49201
   12    10 S   HC   HB12    12     1.09818   110.45141    66.03692
   13    10 S   CT   _CG1    13     1.52980   112.73797  -171.59543
   14    13 S   HC   HG11    14     1.09590   110.48125   -66.43420
   15    13 S   HC   HG12    15     1.09668   109.93725    52.82580
   16    13 S   C    _CD1    16     1.51793   112.28238   173.04585
   17    16 S   O    _OE1    17     1.22710   123.31353     0.45628
   18    16 S   N    _N2_    18     1.38653   111.65720  -179.06393
   19    18 S   H    _HN2    19     1.01571   118.99081     1.64259
   20    18 S   CT1  _CA2    20     1.46102   123.27746   178.04676
   21    20 S   HC   _HA2    21     1.09446   109.04937     1.17836
   22    20 S   C    _C2_    22     1.53506   108.94087  -113.84868
   23    22 S   O    _O2_    23     1.23065   122.26817  -148.47847
   24    20 S   CT   _CB2    32     1.53211   111.50475   123.62365
   25    24 S   HC   HB21    33     1.09665   109.53867    57.78328
   26    24 S   HC   HB22    34     1.09507   111.33868   174.97882
   27    22 S   N    _N3_    24     1.38325   113.69683    38.96183
   28    27 S   H    _HN3    25     1.01591   119.54622    -2.98190
   29    24 S   S    _SG2    35     1.82908   114.11701   -61.64628
   30    27 S   CT   _CA3    26     1.45278   123.17039   176.86600
   31    30 S   HC   HA31    27     1.09550   107.46191   -65.91008
   32    30 S   HC   HA32    28     1.09559   108.03007    50.52047
   33    29 S   CT   _C9_    36     1.83953   100.32287   -69.69636
   34    33 S   HC   _H4_    37     1.09481   106.13557    67.07947
   35    30 S   CO3  _C3_    29     1.52953   114.11739   172.61557
   36    35 S   O2Z  _O31    30     1.26372   116.08450     0.91064
   37    35 S   O2Z  _O32    31     1.26435   114.41533  -179.01503
   38    33 S   CM   _C10    38     1.50881   108.81650  -173.27235
   39    33 S   OS   _O35    69     1.42934   110.72835   -52.67632
   40    38 S   CMA  _C11    39     1.35196   127.23086  -112.18446
   41    40 S   OM   _O37    40     1.26279   127.81335    -0.68242
   42    39 S   CO   _C7_    70     1.42355   113.00884   147.21176
   43    42 S   HC   _H3_    71     1.09601   111.38808    49.72112
   44    40 S   OS   _O36    41     1.42296   110.08325  -179.47848
   45    42 S   CM   _C6_    72     1.47743   108.47408   171.91437
   46    45 S   HC   _H10    73     1.08061   123.76700   -60.46406
   47    44 S   CT   _C12    42     1.43085   106.73266   -12.96595
   48    47 S   HC   _H5_    43     1.09608   109.65592  -101.11365
   49    45 S   CM   _C5_    74     1.33038   111.51421   119.41472
   50    47 S   CM   _C16    44     1.49858   111.20769   133.75751
   51    49 S   CO4  _C8_    75     1.46715   106.37069     0.04846
   52    51 S   O    _O34    76     1.21871   125.50296  -179.84549
   53    49 S   CT   _C4_    78     1.47809   130.00742  -179.79442
   54    53 S   HC   _H7_    79     1.09449   110.52498   119.99825
   55    53 S   HC   _H8_    80     1.09480   111.42646     0.01978
   56    53 S   HC   _H9_    81     1.09448   110.52812  -119.98323
   57    50 S   CM   _C15    45     1.34063   110.99108  -105.72724
   58    42 S   OS   _O33    77     1.43176   112.76591   -74.09511
   59    57 S   CT   _C20    46     1.48991   125.04464  -179.31786
   60    59 S   HC   _H17    47     1.09582   110.26619   134.72515
   61    59 S   HC   _H18    48     1.09651   108.74863  -107.90953
   62    57 S   CT   _C14    64     1.49354   112.48152     1.91213
   63    62 S   HC   _H11    65     1.09472   110.08656   108.89378
   64    62 S   HC   _H12    66     1.09498   111.45969  -130.47614
   65    59 S   CT   _C19    49     1.53152   111.91186    13.33167
   66    65 S   HC   _H15    50     1.09671   109.60662    80.65152
   67    65 S   HC   _H16    51     1.09621   109.39150  -163.00026
   68    38 S   CT   _C13    67     1.49269   121.62876    68.69943
   69    68 S   HC   _H6_    68     1.09614   112.95864   -51.29268
   70    65 S   CT   _C18    52     1.53218   111.74525   -41.18313
   71    70 S   HC   _H13    53     1.09730   109.28955  -178.67662
   72    70 S   HC   _H14    54     1.09906   107.99005   -63.55655
   73    50 S   CT   _C17    55     1.51197   124.80814    74.81481
   74    73 S   CT   _C21    56     1.54073   108.93727    73.47403
   75    74 S   HC   _H19    57     1.09608   111.05991   176.44257
   76    74 S   HC   _H20    58     1.09566   111.93828    56.13602
   77    74 S   HC   _H21    59     1.09632   111.44274   -64.00579
   78    73 S   CT   _C22    60     1.53922   111.81935   -46.51213
   79    78 S   HC   _H22    61     1.09629   110.95203  -176.20409
   80    78 S   HC   _H23    62     1.09592   111.73041    64.24586
   81    78 S   HC   _H24    63     1.09622   111.39886   -56.36384
  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   7   5   4   3
  14   5   2   1   1  14   9   8   3   8   5   8   9   4  13   6
   7  22   6   2   4   2   1   1  15   1  13   6   5   6   3   2
   8   5   4   2   1  11   4   3   8   7   3   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    68    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    47    62    68    69    39    42    43    45    58  
   38    40    68    39    42  
   36    37  
   37  
    0  
   40    41    44    47    48    50    57    62    63    64    68    69    39    42  
   42    43    45    46    49    51    58    40    68  
   41    44    47    48    50    62    68    69  
   44    47    68  
   43    45    46    49    51    52    58    53  
   45    46    49    51    58  
   47    48    50    57    73    62    68    69  
   46    49    51    52    58    53    54    55    56  
   49    51    58    53  
   48    50    57    59    70    73    74    78    62    63    64    68    69  
   50    57    73    62    68    69  
   51    52    58    53    54    55    56  
   57    59    60    61    65    70    71    72    73    74    75    76    77    78    79    80    81    62    63    64    68    69  
   52    58    53    54    55    56  
   58    53  
   54    55    56    58  
   55    56  
   56  
    0  
   59    60    61    65    66    67    70    73    74    78    62    63    64    68    69  
    0  
   60    61    65    66    67    70    71    72    73    62    63    64    68  
   61    65    66    67    70    62  
   65    66    67    70    62  
   63    64    68    69    65    73  
   64    68    69  
   68    69  
   66    67    70    71    72    73    74    78  
   67    70    71    72    73  
   70    71    72    73  
   69    73  
    0  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    39   320.000  1.410
   38    40   465.000  1.376
   38    68   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   317.000  1.510
   47    68   268.000  1.529
   50    57   549.000  1.340
   50    73   317.000  1.510
   57    59   317.000  1.510
   57    62   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   268.000  1.529
   73    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   39    42   320.000  1.380
   42    43   340.000  1.090
   42    45   317.000  1.510
   42    58   320.000  1.380
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    51   320.000  1.462
   49    53   317.000  1.510
   51    52   570.000  1.229
   51    58   214.000  1.327
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    68    65.00000  117.92700
   33    39    42    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   38    68    47    70.00000  112.02700
   38    68    62    70.00000  112.02700
   38    68    69    35.00000  109.50000
   40    44    47    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    47    48    35.00000  109.50000
   44    47    50    85.00000  110.90400
   44    47    68    50.00000  109.50000
   47    50    57    70.00000  124.00000
   47    50    73    65.00000  117.92700
   47    68    62    58.35000  112.70000
   47    68    69    37.50000  110.70000
   50    47    48    35.00000  109.50000
   50    57    59    70.00000  124.00000
   50    57    62    70.00000  124.00000
   50    73    70    70.00000  112.02700
   50    73    74    70.00000  112.02700
   50    73    78    70.00000  112.02700
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    65    70.00000  112.02700
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    70.00000  112.02700
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    73    74    58.35000  112.70000
   70    73    78    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    50    57    70.00000  124.00000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    74    75    37.50000  110.70000
   73    74    76    37.50000  110.70000
   73    74    77    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   62    57    59    65.00000  117.92700
   62    68    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    38    40    70.00000  124.00000
   68    47    48    37.50000  110.70000
   68    47    50    70.00000  112.02700
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    42    43    35.00000  109.50000
   39    42    45    85.00000  110.90400
   39    42    58    92.60000  111.55000
   42    45    46    35.00000  117.00000
   42    45    49    70.00000  124.00000
   42    58    51    95.00000  111.08000
   45    42    43    35.00000  109.50000
   45    49    51    65.00000  118.96000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    51    52    80.00000  123.72100
   49    51    58    90.00000  111.29400
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   58    42    43    35.00000  109.50000
   58    42    45    85.00000  110.90400
   58    51    52    83.00000  123.40000
   53    49    51    65.00000  116.34900
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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  -0.62250  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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    68   0.30250  1.0 1.0
   29    33    38    68  -0.14950 -1.0 2.0
   29    33    38    68   0.36900  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    68    47   0.46850  1.0 1.0
   33    38    68    47   0.08550 -1.0 2.0
   33    38    68    47   0.09800  1.0 3.0
   33    38    68    62   0.46850  1.0 1.0
   33    38    68    62   0.08550 -1.0 2.0
   33    38    68    62   0.09800  1.0 3.0
   33    38    68    69   0.34800  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    45  -0.77900  1.0 1.0
   33    39    42    45  -0.36900 -1.0 2.0
   33    39    42    45   0.40400  1.0 3.0
   33    39    42    58  -0.53350  1.0 1.0
   33    39    42    58  -0.78350 -1.0 2.0
   33    39    42    58   0.33750  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    68   0.34800  1.0 3.0
   34    33    39    42   0.37050  1.0 3.0
   38    33    39    42  -0.77900  1.0 1.0
   38    33    39    42  -0.36900 -1.0 2.0
   38    33    39    42   0.40400  1.0 3.0
   38    40   -44    47  -2.26850  1.0 1.0
   38    40   -44    47   3.39050 -1.0 2.0
   40    38   -68    47   0.09850  1.0 1.0
   40    38   -68    47   0.15250 -1.0 2.0
   40    38   -68    47  -0.50650  1.0 3.0
   40    38    68    62   0.09850  1.0 1.0
   40    38    68    62   0.15250 -1.0 2.0
   40    38    68    62  -0.50650  1.0 3.0
   40    38    68    69   0.00000  1.0 1.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    50  -0.48150  1.0 1.0
   40    44    47    50   0.09250 -1.0 2.0
   40    44    47    50  -0.12850  1.0 3.0
   40    44   -47    68  -0.46850  1.0 1.0
   40    44   -47    68   0.09300 -1.0 2.0
   40    44   -47    68  -0.12850  1.0 3.0
   41    40    44    47   2.00000 -1.0 2.0
   44    47    50    57   0.39000  1.0 1.0
   44    47    50    57  -0.05800 -1.0 2.0
   44    47    50    57  -0.55150  1.0 3.0
   44    47    50    73   0.09700  1.0 1.0
   44    47    50    73   0.15600 -1.0 2.0
   44    47    50    73  -0.50800  1.0 3.0
   44    47   -68    38   0.61850  1.0 1.0
   44    47   -68    38  -0.22750 -1.0 2.0
   44    47   -68    38   0.15300  1.0 3.0
   44    47    68    62   0.62750  1.0 1.0
   44    47    68    62  -0.30950 -1.0 2.0
   44    47    68    62   0.27300  1.0 3.0
   44    47    68    69   0.23400  1.0 3.0
   47    50    57    59   7.00000 -1.0 2.0
   47    50   -57    62   7.00000 -1.0 2.0
   47    50    73    70   0.46850  1.0 1.0
   47    50    73    70   0.08550 -1.0 2.0
   47    50    73    70   0.09800  1.0 3.0
   47    50    73    74   0.46850  1.0 1.0
   47    50    73    74   0.08550 -1.0 2.0
   47    50    73    74   0.09800  1.0 3.0
   47    50    73    78   0.46850  1.0 1.0
   47    50    73    78   0.08550 -1.0 2.0
   47    50    73    78   0.09800  1.0 3.0
   48    47    50    57   0.00000  1.0 1.0
   48    47    50    73   0.34800  1.0 3.0
   48    47    68    38   0.15000  1.0 3.0
   48    47    68    62   0.15000  1.0 3.0
   48    47    68    69   0.15000  1.0 3.0
   50    47    68    38   0.31000  1.0 1.0
   50    47    68    38   0.14700 -1.0 2.0
   50    47    68    38   0.07550  1.0 3.0
   50    47   -68    62   0.34400  1.0 1.0
   50    47   -68    62   0.09450 -1.0 2.0
   50    47   -68    62   0.11100  1.0 3.0
   50    47    68    69   0.15000  1.0 3.0
   50    57    59    60   0.00000  1.0 1.0
   50    57    59    61   0.00000  1.0 1.0
   50    57    59    65   0.09850  1.0 1.0
   50    57    59    65   0.15250 -1.0 2.0
   50    57    59    65  -0.50650  1.0 3.0
   50    57    62    63   0.00000  1.0 1.0
   50    57    62    64   0.00000  1.0 1.0
   50    57   -62    68   0.09850  1.0 1.0
   50    57   -62    68   0.15250 -1.0 2.0
   50    57   -62    68  -0.50650  1.0 3.0
   50    73    74    75   0.15000  1.0 3.0
   50    73    74    76   0.15000  1.0 3.0
   50    73    74    77   0.15000  1.0 3.0
   50    73    78    79   0.15000  1.0 3.0
   50    73    78    80   0.15000  1.0 3.0
   50    73    78    81   0.15000  1.0 3.0
   57    50    73    70   0.09850  1.0 1.0
   57    50    73    70   0.15250 -1.0 2.0
   57    50    73    70  -0.50650  1.0 3.0
   57    50    73    74   0.09850  1.0 1.0
   57    50    73    74   0.15250 -1.0 2.0
   57    50    73    74  -0.50650  1.0 3.0
   57    50    73    78   0.09850  1.0 1.0
   57    50    73    78   0.15250 -1.0 2.0
   57    50    73    78  -0.50650  1.0 3.0
   57    59    65    66   0.15000  1.0 3.0
   57    59    65    67   0.15000  1.0 3.0
   57    59   -65    70   0.34400  1.0 1.0
   57    59   -65    70   0.09450 -1.0 2.0
   57    59   -65    70   0.11100  1.0 3.0
   57    62    68    38   0.31000  1.0 1.0
   57    62    68    38   0.14700 -1.0 2.0
   57    62    68    38   0.07550  1.0 3.0
   57    62   -68    47   0.34400  1.0 1.0
   57    62   -68    47   0.09450 -1.0 2.0
   57    62   -68    47   0.11100  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   59    57    62    63   0.34800  1.0 3.0
   59    57    62    64   0.34800  1.0 3.0
   59    57    62    68   0.46850  1.0 1.0
   59    57    62    68   0.08550 -1.0 2.0
   59    57    62    68   0.09800  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    73   0.56750  1.0 1.0
   59    65    70    73  -0.07550 -1.0 2.0
   59    65    70    73   0.20000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    70   0.15000  1.0 3.0
   65    70   -73    50   0.34400  1.0 1.0
   65    70   -73    50   0.09450 -1.0 2.0
   65    70   -73    50   0.11100  1.0 3.0
   65    70    73    74   0.56750  1.0 1.0
   65    70    73    74  -0.07550 -1.0 2.0
   65    70    73    74   0.20000  1.0 3.0
   65    70    73    78   0.56750  1.0 1.0
   65    70    73    78  -0.07550 -1.0 2.0
   65    70    73    78   0.20000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  1.0 3.0
   70    73    74    75   0.15000  1.0 3.0
   70    73    74    76   0.15000  1.0 3.0
   70    73    74    77   0.15000  1.0 3.0
   70    73    78    79   0.15000  1.0 3.0
   70    73    78    80   0.15000  1.0 3.0
   70    73    78    81   0.15000  1.0 3.0
   71    70    73    50   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    78   0.15000  1.0 3.0
   72    70    73    50   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    78   0.15000  1.0 3.0
   73    50   -57    59   7.00000 -1.0 2.0
   73    50    57    62   7.00000 -1.0 2.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.15000  1.0 3.0
   78    73    74    75   0.15000  1.0 3.0
   78    73    74    76   0.15000  1.0 3.0
   78    73    74    77   0.15000  1.0 3.0
   62    57    59    60   0.34800  1.0 3.0
   62    57    59    61   0.34800  1.0 3.0
   62    57    59    65   0.46850  1.0 1.0
   62    57    59    65   0.08550 -1.0 2.0
   62    57    59    65   0.09800  1.0 3.0
   63    62    68    38   0.15000  1.0 3.0
   63    62    68    47   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   64    62    68    38   0.15000  1.0 3.0
   64    62    68    47   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   68    38    40    41   7.00000 -1.0 2.0
   68    38   -40    44   7.00000 -1.0 2.0
   68    47   -50    57   0.09850  1.0 1.0
   68    47   -50    57   0.15250 -1.0 2.0
   68    47   -50    57  -0.50650  1.0 3.0
   68    47    50    73   0.46850  1.0 1.0
   68    47    50    73   0.08550 -1.0 2.0
   68    47    50    73   0.09800  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    68   0.09700  1.0 1.0
   39    33    38    68   0.15600 -1.0 2.0
   39    33    38    68  -0.50800  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.39000  1.0 1.0
   39    42    45    49  -0.05800 -1.0 2.0
   39    42    45    49  -0.55150  1.0 3.0
   39    42    58    51  -1.83450  1.0 1.0
   39    42    58    51  -0.02700 -1.0 2.0
   39    42    58    51  -0.20100  1.0 3.0
   42    45   -49    51   7.00000 -1.0 2.0
   42    45    49    53   7.00000 -1.0 2.0
   43    42    45    46   0.33100  1.0 3.0
   43    42    45    49   0.00000  1.0 1.0
   43    42    58    51   0.08050  1.0 3.0
   45    42   -58    51  -0.82050  1.0 1.0
   45    42   -58    51   0.00600 -1.0 2.0
   45    42   -58    51   0.04400  1.0 3.0
   45    49    51    52   1.00000 -1.0 2.0
   45    49   -51    58  -0.56150  1.0 1.0
   45    49   -51    58   2.19150 -1.0 2.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56   0.00000  1.0 1.0
   46    45    49    51   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    51   -58    42   2.00000 -1.0 2.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   52    51    58    42   3.00000 -1.0 2.0
   58    42    45    46   0.00000  1.0 1.0
   58    42   -45    49   0.39000  1.0 1.0
   58    42   -45    49  -0.05800 -1.0 2.0
   58    42   -45    49  -0.55150  1.0 3.0
   53    49    51    52  -0.64400  1.0 1.0
   53    49    51    52   0.26850 -1.0 2.0
   53    49    51    58  -0.15000  1.0 1.0
   53    49    51    58   0.89550 -1.0 2.0
   53    49    51    58  -0.06900  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    68    38    40   1.10000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
   47    73    50    57   1.10000 -1.0 2.0
   59    62    57    50   1.10000 -1.0 2.0
   42    46    45    49   1.10000 -1.0 2.0
   51    53    49    45   1.10000 -1.0 2.0
   49    58    51    52  10.50000 -1.0 2.0
END
