* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    190    310     574
    1     0 S   NP   _N1_     1    28.95754    95.85654   -24.76467
    2     1 S   H    _HN1     2     1.02789   114.49000   -96.13982
    3     1 S   H    _H1_     3     1.02948    74.28389     7.24449
    4     1 S   H    _H2_     4     1.02828    33.17355   178.45364
    5     1 S   CT   _CA1     5     1.50113   128.34836   111.09839
    6     5 S   HC   _HA1     6     1.09574   105.18190    91.94696
    7     5 S   CO3  _C1_     7     1.53773   112.46241   -28.27940
    8     7 S   O2Z  _O11     8     1.26372   115.00857   -42.84815
    9     7 S   O2Z  _O12     9     1.26238   114.94014   136.24024
   10     5 S   CT   _CB1    10     1.53072   107.41738  -150.08392
   11    10 S   HC   HB11    11     1.09837   109.34181   -49.67088
   12    10 S   HC   HB12    12     1.09812   110.46765    66.92560
   13    10 S   CT   _CG1    13     1.53007   112.62447  -170.63091
   14    13 S   HC   HG11    14     1.09576   110.67968   -66.49889
   15    13 S   HC   HG12    15     1.09671   109.74284    52.74332
   16    13 S   C    _CD1    16     1.51806   112.11777   173.20148
   17    16 S   O    _OE1    17     1.22746   123.23759     9.44810
   18    16 S   N    _N2_    18     1.38650   111.75379  -170.58401
   19    18 S   H    _HN2    19     1.01581   118.97450     1.32707
   20    18 S   CT1  _CA2    20     1.46202   123.37011   177.00474
   21    20 S   HC   _HA2    21     1.09741   109.30371     5.44863
   22    20 S   C    _C2_    22     1.53614   108.83022  -110.04242
   23    22 S   O    _O2_    23     1.23072   122.24356  -149.01332
   24    20 S   CT   _CB2    32     1.53301   111.59789   127.40008
   25    24 S   HC   HB21    33     1.09525   110.08892    56.80341
   26    24 S   HC   HB22    34     1.09512   110.07882   175.77919
   27    22 S   N    _N3_    24     1.38314   113.81421    38.50197
   28    27 S   H    _HN3    25     1.01561   119.60508    -3.28885
   29    24 S   S    _SG2    35     1.82892   111.43568   -64.57459
   30    27 S   CT   _CA3    26     1.45289   123.27163   177.13631
   31    30 S   HC   HA31    27     1.09548   107.51225   -64.71923
   32    30 S   HC   HA32    28     1.09555   107.99473    51.73770
   33    29 S   CT   _C21    36     1.86357    99.67847  -179.72732
   34    33 S   HC   _H7_    37     1.09645   105.57779    28.14956
   35    30 S   CO3  _C3_    29     1.52975   114.03923   173.73531
   36    35 S   O2Z  _O31    30     1.26383   116.05968    -0.53887
   37    35 S   O2Z  _O32    31     1.26424   114.41924   179.52071
   38    33 S   CM   _C20    38     1.50737   106.33248   -83.32156
   39    38 S   HC   _H20    39     1.08951   118.10852    34.64707
   40    38 S   CMA  _C19    40     1.34249   124.43688  -148.27912
   41    40 S   OM   _O33    41     1.25986   130.50851  -178.46392
   42    40 S   CM   _C18    42     1.45444   117.90592     0.08156
   43    42 S   HC   _H19    43     1.08836   115.92982  -171.01460
   44    42 S   CM   _C17    44     1.34966   124.76204    11.77666
   45    44 S   CT   _C5_    45     1.53146   121.68915   173.64054
   46    45 S   HC   _H3_    46     1.09752   107.28580  -111.46250
   47    45 S   CT   _C6_    47     1.52889   110.72528   131.07593
   48    47 S   HC   _H11    48     1.09712   108.74533   176.47308
   49    47 S   HC   _H12    49     1.09851   109.87431   -67.29494
   50    45 S   CT   _C4_    94     1.53766   116.70348     6.27991
   51    50 S   HC   _H8_    95     1.09560   111.64462    60.69216
   52    50 S   HC   _H9_    96     1.09537   111.26335   -60.96812
   53    50 S   HC   _H10    97     1.09600   110.62564  -179.53691
   54    47 S   CT   _C7_    50     1.53519   112.16234    55.56353
   55    54 S   HC   _H4_    51     1.09483   107.92036    62.13922
   56    54 S   CT   _C8_    52     1.53983   109.59426  -178.65361
   57    56 S   HC   _H5_    53     1.10248   106.21725    62.09719
   58    54 S   CT   _C15    67     1.55929   110.40043   -57.85452
   59    58 S   F    F1__    68     1.38806   105.06683   -58.83121
   60    56 S   CT   _C9_    54     1.52392   118.42156   -56.50166
   61    60 S   HC   _H13    55     1.09484   112.15248    76.69138
   62    60 S   HC   _H14    56     1.09589   111.44616   -43.99113
   63    33 S   CT   _C16    69     1.59939   115.33138   147.41476
   64    60 S   CT   _C10    57     1.53932   104.29288  -163.20161
   65    64 S   HC   _H15    58     1.09519   108.47346   132.41523
   66    64 S   HC   _H16    59     1.09618   109.79330  -110.63879
   67    63 S   CT   _C22    70     1.55279   111.86650    33.96264
   68    67 S   HC   _H21    71     1.09057   113.94705   -57.55943
   69    67 S   HC   _H22    72     1.09418   112.52706  -177.70552
   70    67 S   HC   _H23    73     1.09745   110.81954    62.59258
   71    64 S   CT   _C11    60     1.55623   106.74340    10.29339
   72    56 S   CT   _C12    61     1.54678   113.98947  -178.63255
   73    71 S   CO4  _C24    80     1.53886   112.83964   144.69500
   74    73 S   O    _O35    81     1.23283   121.53929    -4.61864
   75    71 S   OH   _O38    92     1.42801   107.91957   -98.32842
   76    75 S   HO   _H33    93     0.97298   108.25267   -55.80252
   77    72 S   CT   _C13    62     1.54255   106.20659   -61.31522
   78    77 S   HC   _H17    63     1.09706   110.01668   -65.00637
   79    77 S   HC   _H18    64     1.09472   109.94910   177.85096
   80    72 S   CT   _C23    76     1.55191   113.21042    60.90194
   81    80 S   HC   _H25    77     1.09506   112.45674    69.27560
   82    80 S   HC   _H26    78     1.09150   113.26774   -51.00214
   83    80 S   HC   _H27    79     1.09547   110.72643  -171.27058
   84    73 S   CT   _C25    82     1.52056   117.59853   175.31099
   85    84 S   HC   _H28    83     1.09255   108.82420    75.13101
   86    84 S   HC   _H29    84     1.09368   109.67624   -46.95951
   87    77 S   CT   _C14    65     1.54565   113.38438    55.56620
   88    87 S   HC   _H6_    66     1.09420   105.62876  -171.03707
   89    84 S   OS   _O36    85     1.43054   108.61018  -166.16920
   90    87 S   OH   _O34    74     1.41907   109.06462    73.94624
   91    90 S   HO   _H24    75     0.97243   107.81624    61.13108
   92    89 S   CO4  _C26    86     1.36255   115.24777  -178.31240
   93    92 S   O    _O37    87     1.22339   126.18359    -0.03956
   94    92 S   CT   _C27    88     1.49832   109.63568   179.96044
   95    94 S   HC   _H30    89     1.09289   109.83546   -60.88150
   96    94 S   HC   _H31    90     1.09380   109.35652  -179.91607
   97    94 S   HC   _H32    91     1.09289   109.83434    61.03679
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  18  14   9  16   6
   5   5   2   1   1  18   8  22   9  15   6  11   6   5   8  11
   5   4   4   2   1   1  17  15  10   5   4   1  10   5   4   4
   2   1   1   6   3   2   3   2   6   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    63    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    58    63    67  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    54    87    58    59    63    67    68    69    70  
   38    39    40    44    58    63    67  
   36    37  
   37  
    0  
   39    40    41    42    43    44    58    63    67  
   40    41    42    63  
   41    42    43    44    45    63  
   42    43    44  
   43    44    45    46    47    58    63    67    50  
   44    45    63  
   45    46    47    48    49    54    87    58    59    63    67    68    69    70    50    51    52    53  
   46    47    48    49    54    55    56    58    63    67    50    51    52    53  
   47    48    49    54    63    50    51    52    53  
   48    49    54    55    56    57    60    72    87    58    59    63    50    51    52    53  
   49    54    55    56    58    50  
   54    55    56    58    50  
   51    52    53    54    63  
   52    53  
   53  
    0  
   55    56    57    60    61    62    64    71    72    77    87    88    58    59    63    67    90    80  
   56    57    60    72    87    58    59    63  
   57    60    61    62    64    65    66    71    72    77    78    79    87    58    59    63    80    81    82    83    73    75  
   60    61    62    64    71    72    77    58    80  
   59    63    67    68    69    70    90    91    60    72    77    78    79    87    88  
   63    67    90    77    87    88  
   61    62    64    65    66    71    72    77    80    73    75  
   62    64    65    66    71    72  
   64    65    66    71    72  
   67    68    69    70    90    77    87    88  
   65    66    71    72    77    80    73    74    84    75    76  
   66    71    72    73    75  
   71    72    73    75  
   68    69    70    87  
   69    70  
   70  
    0  
   72    77    78    79    87    80    81    82    83    73    74    84    85    86    89    75    76  
   77    78    79    87    88    90    80    81    82    83    73    74    84    75    76  
   74    84    85    86    89    92    75    76    77    80  
   84    85    86    89    75  
   76    77    80    84  
    0  
   78    79    87    88    90    91    80    81    82    83  
   79    87    88    90    80  
   87    88    90    80  
   81    82    83    87  
   82    83  
   83  
    0  
   85    86    89    92    93    94  
   86    89    92  
   89    92  
   88    90    91  
   90    91  
   92    93    94    95    96    97  
   91  
    0  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   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    63   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    63   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    72   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   268.000  1.529
   71    73   317.000  1.522
   71    75   320.000  1.410
   72    77   268.000  1.529
   72    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    87   268.000  1.529
   87    88   340.000  1.090
   87    58   268.000  1.529
   87    90   320.000  1.410
   58    59   367.000  1.332
   58    63   268.000  1.529
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   90    91   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   570.000  1.229
   73    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   320.000  1.410
   89    92   214.000  1.327
   92    93   570.000  1.229
   92    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   75    76   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    63    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    63    44    70.00000  112.02700
   33    63    58    58.35000  112.70000
   33    63    67    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    63    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    70.00000  112.02700
   44    45    50    70.00000  112.02700
   44    63    58    70.00000  112.02700
   44    63    67    70.00000  112.02700
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    54    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    45    46    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    56    58.35000  112.70000
   47    54    58    58.35000  112.70000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    56    72    58.35000  112.70000
   54    58    87    58.35000  112.70000
   54    58    59    50.00000  109.50000
   54    58    63    58.35000  112.70000
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    72    71    58.35000  112.70000
   56    72    77    58.35000  112.70000
   56    72    80    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   64    71    72    58.35000  112.70000
   64    71    73    63.00000  111.10000
   64    71    75    50.00000  109.50000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    72    77    58.35000  112.70000
   71    72    80    58.35000  112.70000
   71    73    74    80.00000  120.40000
   71    73    84    70.00000  116.00000
   71    75    76    55.00000  108.50000
   72    56    57    37.50000  110.70000
   72    56    60    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    87    58.35000  112.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   77    87    88    37.50000  110.70000
   77    87    58    58.35000  112.70000
   77    87    90    50.00000  109.50000
   79    77    78    33.00000  107.80000
   87    77    78    37.50000  110.70000
   87    77    79    37.50000  110.70000
   87    58    59    50.00000  109.50000
   87    58    63    58.35000  112.70000
   87    90    91    55.00000  108.50000
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   58    87    88    37.50000  110.70000
   58    63    67    58.35000  112.70000
   63    33    34    37.50000  110.70000
   63    33    38    70.00000  112.02700
   63    44    45    65.00000  117.92700
   63    58    59    50.00000  109.50000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    58    50.00000  109.50000
   80    72    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    71    72    63.00000  111.10000
   73    84    85    35.00000  109.50000
   73    84    86    35.00000  109.50000
   73    84    89    90.00000  108.74100
   84    73    74    80.00000  120.40000
   84    89    92    83.00000  116.90000
   86    84    85    33.00000  107.80000
   89    84    85    35.00000  109.50000
   89    84    86    35.00000  109.50000
   89    92    93    83.00000  123.40000
   89    92    94    81.00000  111.40000
   92    94    95    35.00000  109.50000
   92    94    96    35.00000  109.50000
   92    94    97    35.00000  109.50000
   94    92    93    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   75    71    72    50.00000  109.50000
   75    71    73    90.00000  109.61100
   50    45    46    37.50000  110.70000
   50    45    47    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    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    63    44   0.56750  1.0 1.0
   29    33    63    44  -0.07550 -1.0 2.0
   29    33    63    44   0.20000  1.0 3.0
   29    33    63    58   0.44750  1.0 1.0
   29    33    63    58  -0.17800 -1.0 2.0
   29    33    63    58   0.20200  1.0 3.0
   29    33    63    67   0.44750  1.0 1.0
   29    33    63    67  -0.17800 -1.0 2.0
   29    33    63    67   0.20200  1.0 3.0
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   72    77    87    58  -0.07550 -1.0 2.0
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   77    87    58    63  -0.07550 -1.0 2.0
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   87    58    63    67  -0.07550 -1.0 2.0
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   88    87    58    54   0.15000  1.0 3.0
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   88    87    58    63   0.15000  1.0 3.0
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   58    54    56    57   0.15000  1.0 3.0
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   58    54    56    60  -0.07550 -1.0 2.0
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   58    54   -56    72   0.56750  1.0 1.0
   58    54   -56    72  -0.07550 -1.0 2.0
   58    54   -56    72   0.20000  1.0 3.0
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   58    63    67    69   0.15000  1.0 3.0
   58    63    67    70   0.15000  1.0 3.0
   59    58    63    33   0.39650  1.0 1.0
   59    58    63    33  -0.18350 -1.0 2.0
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   59    58    63    44   0.54900  1.0 1.0
   59    58    63    44  -0.20450 -1.0 2.0
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   59    58    63    67  -0.18350 -1.0 2.0
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   63    33    38    39   0.00000  1.0 1.0
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   63    44   -45    47   0.46850  1.0 1.0
   63    44   -45    47   0.08550 -1.0 2.0
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   63    44    45    50   0.46850  1.0 1.0
   63    44    45    50   0.08550 -1.0 2.0
   63    44    45    50   0.09800  1.0 3.0
   90    87    58    54   0.86500  1.0 1.0
   90    87    58    54  -0.17500 -1.0 2.0
   90    87    58    54   0.20800  1.0 3.0
   90    87    58    59   1.44150  1.0 1.0
   90    87    58    59  -0.96950 -1.0 2.0
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   90    87    58    63   0.86500  1.0 1.0
   90    87    58    63  -0.17500 -1.0 2.0
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   80    72    77    79   0.15000  1.0 3.0
   80    72    77    87   0.56750  1.0 1.0
   80    72    77    87  -0.07550 -1.0 2.0
   80    72    77    87   0.20000  1.0 3.0
   73    71    72    56  -0.95700  1.0 1.0
   73    71    72    56  -0.18200 -1.0 2.0
   73    71    72    56   0.29450  1.0 3.0
   73    71    72    77  -0.95700  1.0 1.0
   73    71    72    77  -0.18200 -1.0 2.0
   73    71    72    77   0.29450  1.0 3.0
   73    71    72    80  -0.95700  1.0 1.0
   73    71    72    80  -0.18200 -1.0 2.0
   73    71    72    80   0.29450  1.0 3.0
   73    71    75    76   0.91850  1.0 1.0
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   73    84    89    92  -1.80650  1.0 1.0
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   73    84    89    92   0.03650  1.0 3.0
   74    73    84    85   0.00000  1.0 1.0
   74    73    84    86   0.00000  1.0 1.0
   74    73    84    89   0.30150 -1.0 2.0
   84    89    92    93   3.00000 -1.0 2.0
   84    89    92    94   1.63150  1.0 1.0
   84    89    92    94   2.92000 -1.0 2.0
   85    84    89    92   0.08050  1.0 3.0
   86    84    89    92   0.08050  1.0 3.0
   89    92    94    95   0.00000  1.0 1.0
   89    92    94    96   0.00000  1.0 1.0
   89    92    94    97   0.00000  1.0 1.0
   93    92    94    95   0.00000  1.0 1.0
   93    92    94    96   0.00000  1.0 1.0
   93    92    94    97   0.00000  1.0 1.0
   75    71    72    56   0.86500  1.0 1.0
   75    71    72    56  -0.17500 -1.0 2.0
   75    71    72    56   0.20800  1.0 3.0
   75    71    72    77   0.86500  1.0 1.0
   75    71    72    77  -0.17500 -1.0 2.0
   75    71    72    77   0.20800  1.0 3.0
   75    71    72    80   0.86500  1.0 1.0
   75    71    72    80  -0.17500 -1.0 2.0
   75    71    72    80   0.20800  1.0 3.0
   75    71    73    74   0.30150 -1.0 2.0
   75    71    73    84   0.55300  1.0 1.0
   75    71    73    84   1.25850 -1.0 2.0
   75    71    73    84  -0.23600  1.0 3.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    54   0.56750  1.0 1.0
   50    45    47    54  -0.07550 -1.0 2.0
   50    45    47    54   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    63    44    42   1.10000 -1.0 2.0
   71    84    73    74  10.50000 -1.0 2.0
   89    94    92    93  10.50000 -1.0 2.0
END
