* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    165    239     483
    1     0 S   NP   _N1_     1    28.62137    97.31898   -22.86814
    2     1 S   H    _HN1     2     1.02789   101.71965   -87.01281
    3     1 S   H    _H1_     3     1.02949    67.07791    18.14676
    4     1 S   H    _H2_     4     1.02829    44.91967   169.33487
    5     1 S   CT   _CA1     5     1.50122   144.24459   111.63305
    6     5 S   HC   _HA1     6     1.09575   105.17924    98.96493
    7     5 S   CO3  _C1_     7     1.53779   112.40556   -21.24321
    8     7 S   O2Z  _O11     8     1.26375   115.00916   -43.77823
    9     7 S   O2Z  _O12     9     1.26236   114.93861   135.23120
   10     5 S   CT   _CB1    10     1.53063   107.40183  -143.09566
   11    10 S   HC   HB11    11     1.09837   109.34557   -49.69070
   12    10 S   HC   HB12    12     1.09811   110.47328    66.90596
   13    10 S   CT   _CG1    13     1.53002   112.61866  -170.64707
   14    13 S   HC   HG11    14     1.09579   110.66583   -66.26254
   15    13 S   HC   HG12    15     1.09671   109.76127    52.98066
   16    13 S   C    _CD1    16     1.51809   112.10678   173.42252
   17    16 S   O    _OE1    17     1.22751   123.22810     8.85153
   18    16 S   N    _N2_    18     1.38637   111.74243  -171.16580
   19    18 S   H    _HN2    19     1.01579   119.07580     1.10977
   20    18 S   CT1  _CA2    20     1.46211   123.38018   177.39180
   21    20 S   HC   _HA2    21     1.09744   109.21309     5.66721
   22    20 S   C    _C2_    22     1.53638   109.06003  -109.75193
   23    22 S   O    _O2_    23     1.23080   122.24146  -150.76771
   24    20 S   CT   _CB2    32     1.53412   111.62199   127.52248
   25    24 S   HC   HB21    33     1.09410   109.75495    56.82535
   26    24 S   HC   HB22    34     1.09457   109.82349   175.53068
   27    22 S   N    _N3_    24     1.38320   113.87489    36.84619
   28    27 S   H    _HN3    25     1.01554   119.57359    -3.51530
   29    24 S   S    _SG2    35     1.82971   111.06906   -64.17398
   30    27 S   CT   _CA3    26     1.45269   123.24295   177.06222
   31    30 S   HC   HA31    27     1.09549   107.53682   -64.16487
   32    30 S   HC   HA32    28     1.09557   107.96346    52.27703
   33    29 S   CT   _C10    36     1.88083   100.61925  -163.88856
   34    33 S   HC   _H3_    37     1.09182   104.76363    26.85896
   35    30 S   CO3  _C3_    29     1.52961   114.07007   174.27495
   36    35 S   O2Z  _O31    30     1.26379   116.08715     0.07402
   37    35 S   O2Z  _O32    31     1.26429   114.40868  -179.87646
   38    33 S   CT   _C11    38     1.57664   109.43120   141.73398
   39    38 S   HC   _H4_    39     1.08713   107.11854   162.25361
   40    33 S   CT   _C9_    56     1.60477   112.23613   -90.52983
   41    40 S   OM   _O37    57     1.32614   109.43484    61.68519
   42    38 S   CT   _C12    40     1.58687   118.89469   -77.93017
   43    42 S   HC   _H5_    41     1.10052   103.58560  -172.74639
   44    40 S   CT   _C22    58     1.55206   112.12418   -56.63359
   45    44 S   HC   _H30    59     1.09598   113.37235    56.77475
   46    44 S   HC   _H31    60     1.09448   111.13414   -64.76408
   47    44 S   HC   _H32    61     1.09942   111.78244   176.72649
   48    38 S   OS   _O35    83     1.45649   109.21910    48.55171
   49    42 S   CT   _C13    42     1.57192   115.85305   -59.28328
   50    49 S   HC   _H6_    43     1.09452   109.12420    60.97927
   51    42 S   CT   _C17    73     1.57639   112.81642    75.88036
   52    51 S   HC   _H20    74     1.09494   108.57831    17.25459
   53    48 S   CO4  _C20    84     1.36174   118.63301   148.45017
   54    53 S   O    _O36    85     1.22303   126.63700    -0.27976
   55    49 S   CT   _C14    44     1.55591   115.28824   -64.97810
   56    55 S   HC   _H15    45     1.09919   107.16117   -56.57660
   57    55 S   HC   _H16    46     1.09804   110.05619  -169.21652
   58    49 S   OS   _O33    66     1.45660   107.84210   178.55287
   59    51 S   CT   _C18    75     1.53758   111.48306   131.87657
   60    59 S   HC   _H21    76     1.09358   112.17063    63.13777
   61    59 S   HC   _H22    77     1.09535   110.71605   -57.68167
   62    59 S   HC   _H23    78     1.09562   110.53878  -176.57823
   63    51 S   CT   _C19    79     1.53253   115.65080  -102.77039
   64    63 S   HC   _H24    80     1.09334   112.31817   -83.47051
   65    63 S   HC   _H25    81     1.09614   109.87740   158.24262
   66    63 S   HC   _H26    82     1.09087   112.37369    38.38962
   67    53 S   CT   _C21    86     1.49822   109.32626   179.61386
   68    67 S   HC   _H27    87     1.09293   109.78913   -61.42923
   69    67 S   HC   _H28    88     1.09374   109.37363   179.49642
   70    67 S   HC   _H29    89     1.09295   109.82862    60.45897
   71    55 S   CM   _C5_    47     1.50721   117.46215    67.10921
   72    58 S   CO4  _C15    67     1.36365   117.82635  -152.29012
   73    72 S   O    _O34    68     1.22297   126.44963     0.19782
   74    71 S   CM   _C6_    48     1.34553   120.34357    43.73155
   75    74 S   HC   _H10    49     1.08756   119.00384     8.39517
   76    71 S   CT   _C4_    62     1.50488   114.97413  -131.82143
   77    76 S   HC   _H7_    63     1.09529   109.78670   -59.42842
   78    76 S   HC   _H8_    64     1.09275   113.27748  -179.05353
   79    76 S   HC   _H9_    65     1.09461   110.49982    59.95590
   80    72 S   CT   _C16    69     1.49835   109.43119  -179.74512
   81    80 S   HC   _H17    70     1.09292   109.85289   -60.37186
   82    80 S   HC   _H18    71     1.09375   109.36212  -179.39867
   83    80 S   HC   _H19    72     1.09286   109.80820    61.51844
   84    74 S   CT   _C7_    50     1.49430   126.20232  -162.89501
   85    84 S   HC   _H11    51     1.09639   108.93617  -167.42755
   86    84 S   HC   _H12    52     1.09650   109.88355   -52.69323
   87    84 S   CT   _C8_    53     1.54687   112.94196    69.69184
   88    87 S   HC   _H13    54     1.10266   105.70025  -172.22148
   89    87 S   HC   _H14    55     1.09756   108.96415   -61.08978
  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
  19   8   2   1   1  19   7  14   8  21   9   7   3   2   1   8
  15   7  11   8   5   4  12   5   4   7   7   3   2   1   3   2
   1   1   3   2   1   1  10   5   4  11   5   4   2   1   1   3
   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    87    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    84    87    88    89    40    41    44    45    46    47    51    48    53  
   38    39    42    87    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    49    50    55    87    40    41    44    58    51    52    59    63    48    53    54    67  
   42    43    49    40    51    48    53  
   41    44    45    46    47    48    42    74    84    85    86    87    88    89  
   44    45    46    47    84    87    88    89  
   43    49    50    55    56    57    71    58    72    51    52    59    60    61    62    63    64    65    66    48    53  
   49    50    55    58    51    52    59    63    48  
   45    46    47    84    87    88    89  
   46    47    87  
   47    87  
   87  
   53    54    67    68    69    70    49    51  
   50    55    56    57    71    74    76    58    72    73    80    51    52    59    63  
   55    56    57    71    58    72    51  
   52    59    60    61    62    63    64    65    66    55    58  
   59    60    61    62    63    64    65    66  
   54    67    68    69    70  
   67    68    69    70  
   56    57    71    74    75    84    76    77    78    79    58    72  
   57    71    74    76    58  
   71    74    76    58  
   72    73    80    81    82    83    71  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   74    75    84    85    86    87    76    77    78    79  
   73    80    81    82    83  
   80    81    82    83  
   75    84    85    86    87    88    89    76    77    78    79  
   84    85    86    87    76  
   77    78    79    84  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    48   320.000  1.410
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    71   317.000  1.510
   71    74   549.000  1.340
   71    76   317.000  1.510
   74    75   340.000  1.080
   74    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    72   214.000  1.327
   72    73   570.000  1.229
   72    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   51    52   340.000  1.090
   51    59   268.000  1.529
   51    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    53   214.000  1.327
   53    54   570.000  1.229
   53    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    40    87    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    51    58.35000  112.70000
   38    48    53    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    55    58.35000  112.70000
   42    49    58    50.00000  109.50000
   42    51    52    37.50000  110.70000
   42    51    59    58.35000  112.70000
   42    51    63    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    71    70.00000  112.02700
   49    58    72    83.00000  116.90000
   55    49    50    37.50000  110.70000
   55    71    74    70.00000  124.00000
   55    71    76    65.00000  117.92700
   57    55    56    33.00000  107.80000
   71    55    56    35.00000  109.50000
   71    55    57    35.00000  109.50000
   71    74    75    35.00000  120.00000
   71    74    84    70.00000  124.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    87    70.00000  112.02700
   84    74    75    35.00000  117.00000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    40    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    40    41    50.00000  109.50000
   87    40    44    58.35000  112.70000
   89    87    88    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    87    88    37.50000  110.70000
   40    87    89    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   76    71    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    55    50.00000  109.50000
   58    72    73    83.00000  123.40000
   58    72    80    81.00000  111.40000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   80    72    73    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   51    42    43    37.50000  110.70000
   51    42    49    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   51    63    64    37.50000  110.70000
   51    63    65    37.50000  110.70000
   51    63    66    37.50000  110.70000
   59    51    52    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    51    52    37.50000  110.70000
   63    51    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    38    39    35.00000  109.50000
   48    38    42    50.00000  109.50000
   48    53    54    83.00000  123.40000
   48    53    67    81.00000  111.40000
   53    67    68    35.00000  109.50000
   53    67    69    35.00000  109.50000
   53    67    70    35.00000  109.50000
   67    53    54    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    87   0.44750  1.0 1.0
   29    33    40    87  -0.17800 -1.0 2.0
   29    33    40    87   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    42    51   0.56750  1.0 1.0
   33    38    42    51  -0.07550 -1.0 2.0
   33    38    42    51   0.20000  1.0 3.0
   33    38    48    53  -0.25900  1.0 1.0
   33    38    48    53  -0.47000 -1.0 2.0
   33    38    48    53   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    40    87   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    87   0.56750  1.0 1.0
   38    33    40    87  -0.07550 -1.0 2.0
   38    33    40    87   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    55   0.56750  1.0 1.0
   38    42    49    55  -0.07550 -1.0 2.0
   38    42    49    55   0.20000  1.0 3.0
   38    42    49    58   0.62750  1.0 1.0
   38    42    49    58  -0.30950 -1.0 2.0
   38    42    49    58   0.27300  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    59   0.56750  1.0 1.0
   38    42    51    59  -0.07550 -1.0 2.0
   38    42    51    59   0.20000  1.0 3.0
   38    42    51    63   0.56750  1.0 1.0
   38    42    51    63  -0.07550 -1.0 2.0
   38    42    51    63   0.20000  1.0 3.0
   38    48    53    54   3.00000 -1.0 2.0
   38    48    53    67   1.63150  1.0 1.0
   38    48    53    67   2.92000 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   39    38    48    53   0.08050  1.0 3.0
   42    38    48    53  -0.25900  1.0 1.0
   42    38    48    53  -0.47000 -1.0 2.0
   42    38    48    53   0.11750  1.0 3.0
   42    49    55    56   0.15000  1.0 3.0
   42    49    55    57   0.15000  1.0 3.0
   42    49    55    71   0.34400  1.0 1.0
   42    49    55    71   0.09450 -1.0 2.0
   42    49    55    71   0.11100  1.0 3.0
   42    49    58    72  -0.25900  1.0 1.0
   42    49    58    72  -0.47000 -1.0 2.0
   42    49    58    72   0.11750  1.0 3.0
   42    51    59    60   0.15000  1.0 3.0
   42    51    59    61   0.15000  1.0 3.0
   42    51    59    62   0.15000  1.0 3.0
   42    51    63    64   0.15000  1.0 3.0
   42    51    63    65   0.15000  1.0 3.0
   42    51    63    66   0.15000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    55   0.15000  1.0 3.0
   43    42    49    58   0.23400  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    59   0.15000  1.0 3.0
   43    42    51    63   0.15000  1.0 3.0
   49    42    51    52   0.15000  1.0 3.0
   49    42    51    59   0.56750  1.0 1.0
   49    42    51    59  -0.07550 -1.0 2.0
   49    42    51    59   0.20000  1.0 3.0
   49    42    51    63   0.56750  1.0 1.0
   49    42    51    63  -0.07550 -1.0 2.0
   49    42    51    63   0.20000  1.0 3.0
   49    55    71    74   0.09850  1.0 1.0
   49    55    71    74   0.15250 -1.0 2.0
   49    55    71    74  -0.50650  1.0 3.0
   49    55    71    76   0.46850  1.0 1.0
   49    55    71    76   0.08550 -1.0 2.0
   49    55    71    76   0.09800  1.0 3.0
   49    58    72    73   3.00000 -1.0 2.0
   49    58    72    80   1.63150  1.0 1.0
   49    58    72    80   2.92000 -1.0 2.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    71   0.15000  1.0 3.0
   50    49    58    72   0.08050  1.0 3.0
   55    49    58    72  -0.25900  1.0 1.0
   55    49    58    72  -0.47000 -1.0 2.0
   55    49    58    72   0.11750  1.0 3.0
   55    71    74    75   7.00000 -1.0 2.0
   55    71    74    84   7.00000 -1.0 2.0
   55    71    76    77   0.34800  1.0 3.0
   55    71    76    78   0.34800  1.0 3.0
   55    71    76    79   0.34800  1.0 3.0
   56    55    71    74   0.00000  1.0 1.0
   56    55    71    76   0.34800  1.0 3.0
   57    55    71    74   0.00000  1.0 1.0
   57    55    71    76   0.34800  1.0 3.0
   71    74    84    85   0.00000  1.0 1.0
   71    74    84    86   0.00000  1.0 1.0
   71    74    84    87   0.09850  1.0 1.0
   71    74    84    87   0.15250 -1.0 2.0
   71    74    84    87  -0.50650  1.0 3.0
   74    71    76    77   0.00000  1.0 1.0
   74    71    76    78   0.00000  1.0 1.0
   74    71    76    79   0.00000  1.0 1.0
   74    84    87    88   0.15000  1.0 3.0
   74    84    87    89   0.15000  1.0 3.0
   74    84    87    40   0.34400  1.0 1.0
   74    84    87    40   0.09450 -1.0 2.0
   74    84    87    40   0.11100  1.0 3.0
   75    74    84    85   0.33100  1.0 3.0
   75    74    84    86   0.33100  1.0 3.0
   75    74    84    87   0.00000  1.0 1.0
   84    87    40    33   0.56750  1.0 1.0
   84    87    40    33  -0.07550 -1.0 2.0
   84    87    40    33   0.20000  1.0 3.0
   84    87    40    41   0.62750  1.0 1.0
   84    87    40    41  -0.30950 -1.0 2.0
   84    87    40    41   0.27300  1.0 3.0
   84    87    40    44   0.56750  1.0 1.0
   84    87    40    44  -0.07550 -1.0 2.0
   84    87    40    44   0.20000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    40   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    40   0.15000  1.0 3.0
   87    40    44    45   0.15000  1.0 3.0
   87    40    44    46   0.15000  1.0 3.0
   87    40    44    47   0.15000  1.0 3.0
   88    87    40    33   0.15000  1.0 3.0
   88    87    40    41   0.23400  1.0 3.0
   88    87    40    44   0.15000  1.0 3.0
   89    87    40    33   0.15000  1.0 3.0
   89    87    40    41   0.23400  1.0 3.0
   89    87    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    48   0.62750  1.0 1.0
   40    33    38    48  -0.30950 -1.0 2.0
   40    33    38    48   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   76    71    74    75   7.00000 -1.0 2.0
   76    71    74    84   7.00000 -1.0 2.0
   58    49    55    56   0.23400  1.0 3.0
   58    49    55    57   0.23400  1.0 3.0
   58    49    55    71   0.61850  1.0 1.0
   58    49    55    71  -0.22750 -1.0 2.0
   58    49    55    71   0.15300  1.0 3.0
   58    72    80    81   0.00000  1.0 1.0
   58    72    80    82   0.00000  1.0 1.0
   58    72    80    83   0.00000  1.0 1.0
   73    72    80    81   0.00000  1.0 1.0
   73    72    80    82   0.00000  1.0 1.0
   73    72    80    83   0.00000  1.0 1.0
   51    42    49    50   0.15000  1.0 3.0
   51    42    49    55   0.56750  1.0 1.0
   51    42    49    55  -0.07550 -1.0 2.0
   51    42    49    55   0.20000  1.0 3.0
   51    42    49    58   0.62750  1.0 1.0
   51    42    49    58  -0.30950 -1.0 2.0
   51    42    49    58   0.27300  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    65   0.15000  1.0 3.0
   52    51    63    66   0.15000  1.0 3.0
   59    51    63    64   0.15000  1.0 3.0
   59    51    63    65   0.15000  1.0 3.0
   59    51    63    66   0.15000  1.0 3.0
   63    51    59    60   0.15000  1.0 3.0
   63    51    59    61   0.15000  1.0 3.0
   63    51    59    62   0.15000  1.0 3.0
   48    38    42    43   0.23400  1.0 3.0
   48    38    42    49   0.62750  1.0 1.0
   48    38    42    49  -0.30950 -1.0 2.0
   48    38    42    49   0.27300  1.0 3.0
   48    38    42    51   0.62750  1.0 1.0
   48    38    42    51  -0.30950 -1.0 2.0
   48    38    42    51   0.27300  1.0 3.0
   48    53    67    68   0.00000  1.0 1.0
   48    53    67    69   0.00000  1.0 1.0
   48    53    67    70   0.00000  1.0 1.0
   54    53    67    68   0.00000  1.0 1.0
   54    53    67    69   0.00000  1.0 1.0
   54    53    67    70   0.00000  1.0 1.0
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
   55    76    71    74   1.10000 -1.0 2.0
   84    75    74    71   1.10000 -1.0 2.0
   58    80    72    73  10.50000 -1.0 2.0
   48    67    53    54  10.50000 -1.0 2.0
END
