* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    317     586
    1     0 S   NP   _N1_     1    28.68161    96.18023   -22.23113
    2     1 S   H    _HN1     2     1.02952    75.83230    21.08075
    3     1 S   H    _H1_     3     1.02829    39.12927   163.31032
    4     1 S   H    _H2_     4     1.02783    96.53192   -86.25248
    5     1 S   CT   _CA1     5     1.50115   145.59383   126.60723
    6     5 S   HC   _HA1     6     1.09573   105.20649    83.03244
    7     5 S   CO3  _C1_     7     1.53791   112.41812   -37.20458
    8     7 S   O2Z  _O11     8     1.26371   115.00983   -43.36086
    9     7 S   O2Z  _O12     9     1.26237   114.94574   135.76204
   10     5 S   CT   _CB1    10     1.53082   107.41851  -159.00450
   11    10 S   HC   HB11    11     1.09831   109.37739   -49.91708
   12    10 S   HC   HB12    12     1.09814   110.44131    66.68312
   13    10 S   CT   _CG1    13     1.52989   112.61093  -170.91360
   14    13 S   HC   HG11    14     1.09587   110.58814   -65.00284
   15    13 S   HC   HG12    15     1.09667   109.83471    54.22959
   16    13 S   C    _CD1    16     1.51802   112.25530   174.66292
   17    16 S   O    _OE1    17     1.22732   123.29398     4.85014
   18    16 S   N    _N2_    18     1.38649   111.64533  -175.24066
   19    18 S   H    _HN2    19     1.01585   118.97951     1.62257
   20    18 S   CT1  _CA2    20     1.46220   123.38282   178.11685
   21    20 S   HC   _HA2    21     1.09744   109.36615     0.30132
   22    20 S   C    _C2_    22     1.53540   108.52788  -115.11855
   23    22 S   O    _O2_    23     1.23049   122.33091  -148.01515
   24    20 S   CT   _CB2    32     1.53586   111.66405   122.27824
   25    24 S   HC   HB21    33     1.09490   109.25715    56.10634
   26    24 S   HC   HB22    34     1.09137   109.44865   174.91516
   27    22 S   N    _N3_    24     1.38349   113.65130    39.45857
   28    27 S   H    _HN3    25     1.01596   119.55703    -3.46583
   29    24 S   S    _SG2    35     1.82871   110.86890   -64.04498
   30    27 S   CT   _CA3    26     1.45284   123.17691   177.07584
   31    30 S   HC   HA31    27     1.09550   107.51565   -64.31755
   32    30 S   HC   HA32    28     1.09558   107.97021    52.10673
   33    29 S   CT   _C22    36     1.91849   103.96603  -169.10859
   34    30 S   CO3  _C3_    29     1.52949   114.10985   174.10096
   35    34 S   O2Z  _O31    30     1.26373   116.07374    -0.64468
   36    34 S   O2Z  _O32    31     1.26432   114.40937   179.41550
   37    33 S   CT   _C9_    37     1.54188   108.43534   -46.11958
   38    37 S   HC   _H35    38     1.09520   111.49159   173.24291
   39    37 S   HC   _H36    39     1.09398   111.71788    56.15589
   40    33 S   CT   _C18    54     1.54311   109.19161    75.36752
   41    40 S   F    _F31    55     1.36023   110.52521   -60.95903
   42    40 S   HC   _H48    56     1.09503   110.12820  -176.99736
   43    37 S   CO4  _C6_    40     1.51784   112.02338   -66.24754
   44    43 S   O    _O25    41     1.22995   121.47890   157.08847
   45    43 S   CM   _C4_    42     1.48576   118.97898   -24.97139
   46    45 S   HC   _H33    43     1.08387   117.55628   178.40174
   47    45 S   CM   _C5_    44     1.34083   120.95205    -3.01980
   48    47 S   HC   _H34    45     1.08575   117.22696  -176.97962
   49    33 S   CT   _C19    46     1.60034   109.68565  -166.02819
   50    49 S   CT   _C15    47     1.59010   109.00544   -59.50209
   51    50 S   HC   _H45    48     1.09803   106.90051    59.41179
   52    49 S   CT   _C25    95     1.55929   111.79491   178.33987
   53    52 S   HC   _H55    96     1.09241   112.98520    70.73691
   54    52 S   HC   _H56    97     1.09412   112.70143   -50.42979
   55    52 S   HC   _H57    98     1.09483   111.87822  -167.80773
   56    50 S   CT   _C14    49     1.56850   111.53561   -56.36365
   57    56 S   HC   _H44    50     1.09435   109.21712   -68.16290
   58    50 S   CT   _C17    69     1.56035   117.13305   173.94120
   59    58 S   HC   _H47    70     1.09512   109.04165   -60.22024
   60    56 S   CT   _C11    51     1.53822   112.94560    50.32489
   61    60 S   HC   _H39    52     1.09662   110.55422    76.22099
   62    60 S   HC   _H40    53     1.09754   109.68214  -168.91580
   63    56 S   CT   _C13    57     1.53868   108.30151   173.19352
   64    63 S   HC   _H43    58     1.10278   105.71429   -57.72190
   65    58 S   OH   _O28    71     1.41901   111.87844    57.42135
   66    65 S   HO   _H63    72     0.97240   107.83129  -176.27700
   67    63 S   CT   _C10    59     1.52449   118.52936  -175.71056
   68    67 S   HC   _H37    60     1.09644   110.93226   -43.30834
   69    67 S   HC   _H38    61     1.09527   111.54662    76.28227
   70    67 S   CT   _C16    62     1.54867   104.51952  -161.84194
   71    70 S   HC   _H46    63     1.09772   106.62403   123.92476
   72    70 S   CT   _C20    64     1.57173   106.24043     6.50047
   73    70 S   CT   _C24    91     1.52652   111.58357  -119.76530
   74    73 S   HC   _H52    92     1.09497   111.78853    57.52489
   75    73 S   HC   _H53    93     1.09541   110.34683   -62.01904
   76    73 S   HC   _H54    94     1.09462   110.86328   178.73483
   77    63 S   CT   _C21    65     1.54948   114.08672    61.12417
   78    72 S   CO4  _C7_    77     1.54123   112.43226   147.22747
   79    78 S   O    _O26    78     1.23299   121.48915    -1.62064
   80    72 S   OH   _O29    89     1.42683   110.37957   -94.28940
   81    80 S   HO   _H64    90     0.97230   108.67273   -63.98016
   82    77 S   CT   _C12    66     1.54758   106.74145   -60.20775
   83    82 S   HC   _H41    67     1.09688   109.98726   -66.31735
   84    82 S   HC   _H42    68     1.09456   109.90494   176.54725
   85    77 S   CT   _C26    73     1.55249   113.25727    61.87055
   86    85 S   HC   _H58    74     1.09435   112.73366    68.44486
   87    85 S   HC   _H59    75     1.09127   113.25213   -51.79720
   88    85 S   HC   _H60    76     1.09542   110.71375  -172.00016
   89    78 S   CT   _C27    79     1.52033   117.72510   177.95302
   90    89 S   HC   _H61    80     1.09255   108.79342    77.02941
   91    89 S   HC   _H62    81     1.09362   109.74689   -45.11884
   92    89 S   OS   _O30    82     1.43057   108.57791  -164.32700
   93    92 S   CO4  _C8_    83     1.36259   115.23001  -178.32147
   94    93 S   O    _O27    84     1.22340   126.18052    -0.07913
   95    93 S   CT   _C23    85     1.49832   109.63570   179.92598
   96    95 S   HC   _H49    86     1.09290   109.83386   -60.93225
   97    95 S   HC   _H50    87     1.09380   109.35718  -179.96574
   98    95 S   HC   _H51    88     1.09289   109.83499    60.98425
  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  13   5   4   3
  23   2   1   1  14   6   5  13   6   5   6   3   6   3  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  14   6   5  14   8  20   6   2   1   1  12  10   5   4
   1   6   2   1   3   2   1   1   6   3   2   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    49    50    60    40    41    42    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    50    51    56    60    61    62    40    41    42    58    52    53    54    55  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    49    50    60    40    41    42    52  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    63    52    43    47    49    50    56    57    60    61    62  
   42    49    56    60    61    62  
   49    56    60    61    62  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50    52  
   47    48    49  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    82    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    77    82    83    84    58    59    65    66    52    53    54    55  
   56    57    60    63    82    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    77    82    58    59    65    85  
   60    61    62    63    64    67    77    58  
   59    65    66    85    60    63    72    77    82    83    84  
   65    66    77    82    83    84  
   61    62    63    64    67    77  
   62    63  
   63  
   64    67    68    69    70    71    72    77    82    83    84    85    86    87    88    78    80    73  
   67    68    69    70    72    77    82    85  
   66    77    82    83    84  
   82  
   68    69    70    71    72    77    82    85    78    80    73    74    75    76  
   69    70    71    72    77    73  
   70    71    72    77    73  
   71    72    77    82    85    78    79    89    80    81    73    74    75    76  
   72    77    78    80    73    74    75    76  
   77    82    83    84    85    86    87    88    78    79    89    90    91    92    80    81    73    74    75    76  
   74    75    76    77    78    80  
   75    76  
   76  
    0  
   82    83    84    85    86    87    88    78    79    89    80    81  
   79    89    90    91    92    93    80    81    82    85  
   89    90    91    92    80  
   81    82    85    89  
    0  
   83    84    85    86    87    88  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93  
   93    94    95    96    97    98  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   42   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   98   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   320.000  1.462
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    40   268.000  1.529
   40    41   367.000  1.332
   40    42   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    77   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    73   268.000  1.529
   72    77   268.000  1.529
   72    78   317.000  1.522
   72    80   320.000  1.410
   77    82   268.000  1.529
   77    85   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   78    79   570.000  1.229
   78    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   320.000  1.410
   92    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   80    81   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    40    60    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    40.00000  117.72500
   43    45    47    65.00000  118.96000
   45    43    44    80.00000  123.72100
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    58.35000  112.70000
   49    47    48    35.00000  117.00000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    82    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    40    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    77    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    40    41    50.00000  109.50000
   60    40    42    37.50000  110.70000
   62    60    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    62    37.50000  110.70000
   42    40    41    40.00000  107.00000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    77    72    58.35000  112.70000
   63    77    82    58.35000  112.70000
   63    77    85    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    77    58.35000  112.70000
   70    72    78    63.00000  111.10000
   70    72    80    50.00000  109.50000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   72    70    71    37.50000  110.70000
   72    77    82    58.35000  112.70000
   72    77    85    58.35000  112.70000
   72    78    79    80.00000  120.40000
   72    78    89    70.00000  116.00000
   72    80    81    55.00000  108.50000
   77    63    64    37.50000  110.70000
   77    63    67    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    58    58.35000  112.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   82    58    59    37.50000  110.70000
   82    58    65    50.00000  109.50000
   84    82    83    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    56    58.35000  112.70000
   58    82    83    37.50000  110.70000
   58    82    84    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   85    77    82    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   78    72    77    63.00000  111.10000
   78    89    90    35.00000  109.50000
   78    89    91    35.00000  109.50000
   78    89    92    90.00000  108.74100
   89    78    79    80.00000  120.40000
   89    92    93    83.00000  116.90000
   91    89    90    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    91    35.00000  109.50000
   92    93    94    83.00000  123.40000
   92    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   80    72    77    50.00000  109.50000
   80    72    78    90.00000  109.61100
   73    70    71    37.50000  110.70000
   73    70    72    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
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   80    72    77    82  -0.17500 -1.0 2.0
   80    72    77    82   0.20800  1.0 3.0
   80    72    77    85   0.86500  1.0 1.0
   80    72    77    85  -0.17500 -1.0 2.0
   80    72    77    85   0.20800  1.0 3.0
   80    72    78    79   0.30150 -1.0 2.0
   80    72    78    89   0.55300  1.0 1.0
   80    72    78    89   1.25850 -1.0 2.0
   80    72    78    89  -0.23600  1.0 3.0
   73    70    72    77   0.56750  1.0 1.0
   73    70    72    77  -0.07550 -1.0 2.0
   73    70    72    77   0.20000  1.0 3.0
   73    70    72    78  -0.95700  1.0 1.0
   73    70    72    78  -0.18200 -1.0 2.0
   73    70    72    78   0.29450  1.0 3.0
   73    70    72    80   0.86500  1.0 1.0
   73    70    72    80  -0.17500 -1.0 2.0
   73    70    72    80   0.20800  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   43    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   72    89    78    79  10.50000 -1.0 2.0
   92    95    93    94  10.50000 -1.0 2.0
END
