* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    161    261     479
    1     0 S   NP   _N1_     1    28.67653    96.22384   -23.55875
    2     1 S   H    _HN1     2     1.02790   107.64129   -99.81848
    3     1 S   H    _H1_     3     1.02948    74.19791     4.87817
    4     1 S   H    _H2_     4     1.02828    35.07822   163.97824
    5     1 S   CT   _CA1     5     1.50117   135.25384   108.13436
    6     5 S   HC   _HA1     6     1.09573   105.17864    89.82692
    7     5 S   CO3  _C1_     7     1.53781   112.47746   -30.40062
    8     7 S   O2Z  _O11     8     1.26375   115.00566   -42.25219
    9     7 S   O2Z  _O12     9     1.26240   114.94753   136.83199
   10     5 S   CT   _CB1    10     1.53070   107.41316  -152.18463
   11    10 S   HC   HB11    11     1.09838   109.35842   -49.44914
   12    10 S   HC   HB12    12     1.09811   110.45833    67.15693
   13    10 S   CT   _CG1    13     1.53003   112.61948  -170.39862
   14    13 S   HC   HG11    14     1.09575   110.68715   -66.46212
   15    13 S   HC   HG12    15     1.09670   109.73452    52.77906
   16    13 S   C    _CD1    16     1.51803   112.11521   173.25546
   17    16 S   O    _OE1    17     1.22742   123.23989     9.74401
   18    16 S   N    _N2_    18     1.38659   111.75151  -170.26574
   19    18 S   H    _HN2    19     1.01570   118.95341     1.60193
   20    18 S   CT1  _CA2    20     1.46198   123.38096   177.21147
   21    20 S   HC   _HA2    21     1.09740   109.29701     6.97949
   22    20 S   C    _C2_    22     1.53653   108.90778  -108.56938
   23    22 S   O    _O2_    23     1.23085   122.20954  -148.83896
   24    20 S   CT   _CB2    32     1.53386   111.65407   128.93557
   25    24 S   HC   HB21    33     1.09539   109.83668    56.23391
   26    24 S   HC   HB22    34     1.09407   109.88022   174.94332
   27    22 S   N    _N3_    24     1.38295   113.87528    38.62928
   28    27 S   H    _HN3    25     1.01554   119.63689    -3.13450
   29    24 S   S    _SG2    35     1.82889   111.44595   -64.17439
   30    27 S   CT   _CA3    26     1.45290   123.26547   177.20593
   31    30 S   HC   HA31    27     1.09550   107.50315   -65.01015
   32    30 S   HC   HA32    28     1.09558   108.00665    51.44703
   33    29 S   CT   _C23    36     1.87104   100.77172  -165.18410
   34    30 S   CO3  _C3_    29     1.52976   114.04259   173.45770
   35    34 S   O2Z  _O31    30     1.26384   116.07024    -0.42290
   36    34 S   O2Z  _O32    31     1.26425   114.41762   179.63577
   37    33 S   CM   _C10    37     1.50284   105.79016  -175.35826
   38    37 S   HC   _H36    38     1.08476   122.43590    76.66919
   39    33 S   CT   _C26    83     1.53946   111.05188   -56.76992
   40    39 S   HC   _H50    84     1.09618   110.82892  -172.75083
   41    39 S   HC   _H51    85     1.09347   111.81598    66.13092
   42    37 S   CMA  _C12    39     1.33936   114.76725  -105.51193
   43    42 S   OM   _O24    40     1.25454   132.20544  -174.68489
   44    39 S   OH   _O29    86     1.42835   111.83014   -53.79445
   45    44 S   HO   _H53    87     0.97228   106.99152  -178.51220
   46    42 S   CM   _C11    41     1.47347   109.62024     1.70892
   47    46 S   CM   _C13    42     1.35681   131.02964   168.03063
   48    33 S   CT   _C19    56     1.56977   110.02179    75.44261
   49    48 S   HC   _H41    57     1.09746   108.45624   -20.34631
   50    47 S   CT   _C18    43     1.51421   121.26065   173.99214
   51    50 S   HC   _H39    44     1.09826   110.09598    61.23500
   52    50 S   HC   _H40    45     1.09783   109.50259   174.29181
   53    47 S   CT   _C24    79     1.51058   125.95488    -6.16065
   54    53 S   HC   _H45    80     1.09444   110.25354    98.32519
   55    53 S   HC   _H46    81     1.09156   113.64149   -24.95812
   56    53 S   HC   _H47    82     1.09627   110.53373  -142.28136
   57    50 S   CT   _C22    46     1.54071   114.05980   -63.88994
   58    57 S   HC   _H44    47     1.09781   111.47076   -44.20886
   59    57 S   CT   _C20    48     1.53234   111.56826    79.37439
   60    59 S   HC   _H42    49     1.10175   107.94490    59.62297
   61    57 S   OS   _O30    61     1.45222   106.62640  -164.03345
   62    59 S   CM   _C14    50     1.49693   119.36970   179.46077
   63    61 S   CO4  _C17    62     1.36702   117.40969    86.91202
   64    63 S   O    _O26    63     1.22287   125.70478    -0.26095
   65    62 S   CO4  _C15    51     1.48195   106.33309   159.94163
   66    65 S   O    _O25    52     1.21654   127.56036   164.17381
   67    62 S   CM   _C16    58     1.33498   132.41479   -17.31120
   68    67 S   HC   _H37    59     1.08298   121.84423    -1.25928
   69    67 S   HC   _H38    60     1.08565   121.37727   178.47274
   70    63 S   CT   _C25    64     1.51032   108.65181   179.81655
   71    70 S   HC   _H48    65     1.09652   108.56605    59.41411
   72    70 S   HC   _H49    66     1.09661   108.61584   -57.32430
   73    65 S   OS   _O27    53     1.36661   106.14593   -14.23517
   74    70 S   CA   _C8_    67     1.50722   113.13262  -178.89394
   75    59 S   CT   _C21    54     1.53182   116.23252   -63.87702
   76    75 S   HC   _H43    55     1.10112   111.38931   -56.04416
   77    74 S   CA   _C4_    68     1.40259   120.41016    88.63978
   78    77 S   HA   _H32    69     1.08734   120.32226     0.90871
   79    77 S   CA   _C6_    70     1.39584   120.50744  -178.99128
   80    79 S   HA   _H34    71     1.08598   119.49540  -179.86294
   81    79 S   CA   _C9_    72     1.39271   119.50856     0.28667
   82    81 S   CA   _C7_    73     1.39166   120.77562     0.11191
   83    82 S   HA   _H35    74     1.08623   120.50061   179.73093
   84    81 S   OH   _O28    77     1.36629   121.05021   180.00000
   85    84 S   HO   _H52    78     0.97237   108.55695    -0.07402
   86    74 S   CA   _C5_    75     1.40232   120.42995   -89.64130
   87    86 S   HA   _H33    76     1.08725   120.38066    -0.89962
  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  12   5   4   3
  17   2   1   1  12   5   9   4   3   8   3   2   1  15  14  11
   4  14   6   5   4   2   1   1  13   6  12   7   8   8   7   4
   7   3   4   1   1   9   4   3   2   9   1   1   8   4   7   3
   6   5   3   2   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    75    48    49    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    47    59    73    75    76    48    49    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    75    48    49    39    40    41    44  
   42    43    46    48    39  
   40    41    44    45    42    46    48    49    75  
   41    44    45    48  
   44    45    48  
   43    46    47    50    75    48    49    53  
   46    47    48  
   45    48  
    0  
   47    50    51    52    57    59    73    75    76    48    49    53    54    55    56  
   50    51    52    57    58    59    75    48    49    61    53    54    55    56  
   49    53    50    57    59    60    62    65    73    75    76  
   59    73    75    76  
   51    52    57    58    59    60    62    75    61    63    53    54    55    56  
   52    57    58    59    61    53  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    62    65    73    75    76    67    61    63    64    70  
   59    60    62    75    61    63  
   60    62    65    66    73    75    76    67    68    69    61    63  
   62    65    73    75    76    67    61  
   63    64    70    71    72    74    62    75  
   65    66    73    75    76    67    68    69  
   64    70    71    72    74    77    86  
   70    71    72    74  
   66    73    75    76    67    68    69  
   73    75    67  
   68    69    73    75  
   69  
    0  
   71    72    74    77    78    79    82    86    87  
   72    74    77    86  
   74    77    86  
   75    76  
   77    78    79    80    81    82    83    86    87  
   76  
    0  
   78    79    80    81    82    86    87    84  
   79    80    81    86  
   80    81    82    83    86    84    85  
   81    82    84  
   82    83    86    87    84    85  
   83    86    87    84    85  
   86    87    84  
   85    86  
    0  
   87  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    46   465.000  1.376
   46    47   549.000  1.340
   46    48   317.000  1.510
   47    50   317.000  1.510
   47    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    62   317.000  1.510
   59    75   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    73   214.000  1.327
   73    75   320.000  1.410
   75    76   340.000  1.090
   75    48   268.000  1.529
   48    49   340.000  1.090
   67    68   340.000  1.080
   67    69   340.000  1.080
   61    63   214.000  1.327
   63    64   570.000  1.229
   63    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   317.000  1.510
   74    77   469.000  1.400
   74    86   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   367.000  1.080
   84    85   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
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  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    75    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    46    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    46    47    70.00000  117.34000
   42    46    48    70.00000  124.00000
   46    42    43    65.00000  137.10300
   46    47    50    70.00000  124.00000
   46    47    53    70.00000  124.00000
   46    48    75    70.00000  112.02700
   46    48    49    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    70.00000  112.02700
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    58.35000  112.70000
   50    57    61    50.00000  109.50000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    62    70.00000  112.02700
   57    59    75    58.35000  112.70000
   57    61    63    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    62    65    65.00000  116.34900
   59    62    67    70.00000  124.00000
   59    75    73    50.00000  109.50000
   59    75    76    37.50000  110.70000
   59    75    48    58.35000  112.70000
   62    59    60    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    73    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   65    73    75    83.00000  116.90000
   73    65    66    83.00000  123.40000
   73    75    76    35.00000  109.50000
   73    75    48    50.00000  109.50000
   75    59    60    37.50000  110.70000
   75    59    62    70.00000  112.02700
   75    48    49    37.50000  110.70000
   48    33    37    70.00000  112.02700
   48    46    47    70.00000  124.00000
   48    75    76    37.50000  110.70000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   61    63    64    83.00000  123.40000
   61    63    70    81.00000  111.40000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    74    70.00000  110.93000
   70    63    64    80.00000  120.40000
   70    74    77    70.00000  120.00000
   70    74    86    70.00000  120.00000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   74    77    78    35.00000  120.00000
   74    77    79    63.00000  120.00000
   74    86    82    63.00000  120.00000
   74    86    87    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    84    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    86    63.00000  120.00000
   81    84    85    35.00000  113.00000
   82    86    87    35.00000  120.00000
   86    74    77    63.00000  120.00000
   86    82    83    35.00000  120.00000
   84    81    82    70.00000  120.00000
   53    47    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
   29    33    48    75   0.44750  1.0 1.0
   29    33    48    75  -0.17800 -1.0 2.0
   29    33    48    75   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    46   7.00000 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -48    46   0.31000  1.0 1.0
   37    33   -48    46   0.14700 -1.0 2.0
   37    33   -48    46   0.07550  1.0 3.0
   37    33    48    75   0.34400  1.0 1.0
   37    33    48    75   0.09450 -1.0 2.0
   37    33    48    75   0.11100  1.0 3.0
   37    33    48    49   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   1.05650  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44   0.53150  1.0 3.0
   37    42    46    47   7.00000 -1.0 2.0
   37    42   -46    48   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    47    50   7.00000 -1.0 2.0
   42    46    47    53   7.00000 -1.0 2.0
   42    46   -48    33   0.09850  1.0 1.0
   42    46   -48    33   0.15250 -1.0 2.0
   42    46   -48    33  -0.50650  1.0 3.0
   42    46    48    75   0.09850  1.0 1.0
   42    46    48    75   0.15250 -1.0 2.0
   42    46    48    75  -0.50650  1.0 3.0
   42    46    48    49   0.00000  1.0 1.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    48   7.00000 -1.0 2.0
   46    47    50    51   0.00000  1.0 1.0
   46    47    50    52   0.00000  1.0 1.0
   46    47    50    57   0.09850  1.0 1.0
   46    47    50    57   0.15250 -1.0 2.0
   46    47    50    57  -0.50650  1.0 3.0
   46    47    53    54   0.00000  1.0 1.0
   46    47    53    55   0.00000  1.0 1.0
   46    47    53    56   0.00000  1.0 1.0
   47    46    48    33   0.09850  1.0 1.0
   47    46    48    33   0.15250 -1.0 2.0
   47    46    48    33  -0.50650  1.0 3.0
   47    46    48    75   0.09850  1.0 1.0
   47    46    48    75   0.15250 -1.0 2.0
   47    46    48    75  -0.50650  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.34400  1.0 1.0
   47    50    57    59   0.09450 -1.0 2.0
   47    50    57    59   0.11100  1.0 3.0
   47    50    57    61   0.61850  1.0 1.0
   47    50    57    61  -0.22750 -1.0 2.0
   47    50    57    61   0.15300  1.0 3.0
   50    47    53    54   0.34800  1.0 3.0
   50    47    53    55   0.34800  1.0 3.0
   50    47    53    56   0.34800  1.0 3.0
   50    57    59    60   0.15000  1.0 3.0
   50    57    59    62   0.34400  1.0 1.0
   50    57    59    62   0.09450 -1.0 2.0
   50    57    59    62   0.11100  1.0 3.0
   50    57    59    75   0.56750  1.0 1.0
   50    57    59    75  -0.07550 -1.0 2.0
   50    57    59    75   0.20000  1.0 3.0
   50    57    61    63  -0.25900  1.0 1.0
   50    57    61    63  -0.47000 -1.0 2.0
   50    57    61    63   0.11750  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    61   0.23400  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    61   0.23400  1.0 3.0
   57    59    62    65   0.09700  1.0 1.0
   57    59    62    65   0.15600 -1.0 2.0
   57    59    62    65  -0.50800  1.0 3.0
   57    59    62    67   0.09850  1.0 1.0
   57    59    62    67   0.15250 -1.0 2.0
   57    59    62    67  -0.50650  1.0 3.0
   57    59    75    73   0.62750  1.0 1.0
   57    59    75    73  -0.30950 -1.0 2.0
   57    59    75    73   0.27300  1.0 3.0
   57    59    75    76   0.15000  1.0 3.0
   57    59    75    48   0.56750  1.0 1.0
   57    59    75    48  -0.07550 -1.0 2.0
   57    59    75    48   0.20000  1.0 3.0
   57    61    63    64   3.00000 -1.0 2.0
   57    61    63    70   1.63150  1.0 1.0
   57    61    63    70   2.92000 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    75   0.15000  1.0 3.0
   58    57    61    63   0.08050  1.0 3.0
   59    57    61    63  -0.25900  1.0 1.0
   59    57    61    63  -0.47000 -1.0 2.0
   59    57    61    63   0.11750  1.0 3.0
   59    62    65    66  -0.64400  1.0 1.0
   59    62    65    66   0.26850 -1.0 2.0
   59    62   -65    73  -0.15000  1.0 1.0
   59    62   -65    73   0.89550 -1.0 2.0
   59    62   -65    73  -0.06900  1.0 3.0
   59    62    67    68   7.00000 -1.0 2.0
   59    62    67    69   7.00000 -1.0 2.0
   59    75    48    33   0.56750  1.0 1.0
   59    75    48    33  -0.07550 -1.0 2.0
   59    75    48    33   0.20000  1.0 3.0
   59    75    48    46   0.34400  1.0 1.0
   59    75    48    46   0.09450 -1.0 2.0
   59    75    48    46   0.11100  1.0 3.0
   59    75    48    49   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   60    59    62    67   0.00000  1.0 1.0
   60    59    75    73   0.23400  1.0 3.0
   60    59    75    76   0.15000  1.0 3.0
   60    59    75    48   0.15000  1.0 3.0
   62    59   -75    73   0.61850  1.0 1.0
   62    59   -75    73  -0.22750 -1.0 2.0
   62    59   -75    73   0.15300  1.0 3.0
   62    59    75    76   0.15000  1.0 3.0
   62    59    75    48   0.34400  1.0 1.0
   62    59    75    48   0.09450 -1.0 2.0
   62    59    75    48   0.11100  1.0 3.0
   62    65   -73    75   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   65    73   -75    59  -0.25900  1.0 1.0
   65    73   -75    59  -0.47000 -1.0 2.0
   65    73   -75    59   0.11750  1.0 3.0
   65    73    75    76   0.08050  1.0 3.0
   65    73    75    48  -0.25900  1.0 1.0
   65    73    75    48  -0.47000 -1.0 2.0
   65    73    75    48   0.11750  1.0 3.0
   66    65    73    75   3.00000 -1.0 2.0
   73    75    48    33   0.62750  1.0 1.0
   73    75    48    33  -0.30950 -1.0 2.0
   73    75    48    33   0.27300  1.0 3.0
   73    75    48    46   0.61850  1.0 1.0
   73    75    48    46  -0.22750 -1.0 2.0
   73    75    48    46   0.15300  1.0 3.0
   73    75    48    49   0.23400  1.0 3.0
   75    59   -62    65   0.09700  1.0 1.0
   75    59   -62    65   0.15600 -1.0 2.0
   75    59   -62    65  -0.50800  1.0 3.0
   75    59    62    67   0.09850  1.0 1.0
   75    59    62    67   0.15250 -1.0 2.0
   75    59    62    67  -0.50650  1.0 3.0
   76    75    48    33   0.15000  1.0 3.0
   76    75    48    46   0.15000  1.0 3.0
   76    75    48    49   0.15000  1.0 3.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42   0.09850  1.0 1.0
   48    33   -37    42   0.15250 -1.0 2.0
   48    33   -37    42  -0.50650  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    33    39    44   0.86500  1.0 1.0
   48    33    39    44  -0.17500 -1.0 2.0
   48    33    39    44   0.20800  1.0 3.0
   48    46    47    50   7.00000 -1.0 2.0
   48    46    47    53   7.00000 -1.0 2.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    73  -0.56150  1.0 1.0
   67    62    65    73   2.19150 -1.0 2.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   0.61850  1.0 1.0
   61    57    59    62  -0.22750 -1.0 2.0
   61    57    59    62   0.15300  1.0 3.0
   61    57    59    75   0.62750  1.0 1.0
   61    57    59    75  -0.30950 -1.0 2.0
   61    57    59    75   0.27300  1.0 3.0
   61    63    70    71   0.00000  1.0 1.0
   61    63    70    72   0.00000  1.0 1.0
   61    63    70    74   0.40000  1.0 3.0
   63    70    74    77   0.04300 -1.0 2.0
   63    70    74    86   0.04300 -1.0 2.0
   64    63    70    71   0.00000  1.0 1.0
   64    63    70    72   0.00000  1.0 1.0
   64    63    70    74   0.30150 -1.0 2.0
   70    74    77    78   3.62500 -1.0 2.0
   70    74    77    79   3.62500 -1.0 2.0
   70    74    86    82   3.62500 -1.0 2.0
   70    74    86    87   3.62500 -1.0 2.0
   71    70    74    77   0.00000  1.0 1.0
   71    70    74    86   0.00000  1.0 1.0
   72    70    74    77   0.00000  1.0 1.0
   72    70    74    86   0.00000  1.0 1.0
   74    77    79    80   3.62500 -1.0 2.0
   74    77    79    81   3.62500 -1.0 2.0
   77    74    86    82   3.62500 -1.0 2.0
   77    74    86    87   3.62500 -1.0 2.0
   77    79   -81    82   3.62500 -1.0 2.0
   77    79    81    84   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   3.62500 -1.0 2.0
   79    81    82    86   3.62500 -1.0 2.0
   79    81    84    85   0.84100 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    84   3.62500 -1.0 2.0
   81    82   -86    74   3.62500 -1.0 2.0
   81    82    86    87   3.62500 -1.0 2.0
   82    81    84    85   0.84100 -1.0 2.0
   83    82    86    74   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    74    77    78   3.62500 -1.0 2.0
   86    74   -77    79   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    86   3.62500 -1.0 2.0
   53    47    50    51   0.34800  1.0 3.0
   53    47    50    52   0.34800  1.0 3.0
   53    47    50    57   0.46850  1.0 1.0
   53    47    50    57   0.08550 -1.0 2.0
   53    47    50    57   0.09800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.34400  1.0 1.0
   39    33    48    46   0.09450 -1.0 2.0
   39    33    48    46   0.11100  1.0 3.0
   39    33    48    75   0.56750  1.0 1.0
   39    33    48    75  -0.07550 -1.0 2.0
   39    33    48    75   0.20000  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    48    46    47   1.10000 -1.0 2.0
   50    53    47    46   1.10000 -1.0 2.0
   59    65    62    67   1.10000 -1.0 2.0
   62    73    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   61    70    63    64  10.50000 -1.0 2.0
   77    86    74    70   4.00000 -1.0 2.0
   79    78    77    74   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   82    84    81    79   4.00000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   82    87    86    74   1.10000 -1.0 2.0
END
