* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    154    233     452
    1     0 S   NP   _N1_     1    28.86585    95.94793   -24.26889
    2     1 S   H    _HN1     2     1.02797   115.03850  -108.66393
    3     1 S   H    _H1_     3     1.02943    75.57759    -4.78246
    4     1 S   H    _H2_     4     1.02827    31.71172   167.69839
    5     1 S   CT   _CA1     5     1.50133   127.12448   100.11337
    6     5 S   HC   _HA1     6     1.09564   105.14128    90.59241
    7     5 S   CO3  _C1_     7     1.53771   112.62626   -29.65184
    8     7 S   O2Z  _O11     8     1.26390   114.99431   -37.58733
    9     7 S   O2Z  _O12     9     1.26233   114.99420   141.60974
   10     5 S   CT   _CB1    10     1.53060   107.42309  -151.24543
   11    10 S   HC   HB11    11     1.09847   109.44752   -47.45398
   12    10 S   HC   HB12    12     1.09793   110.38875    69.12288
   13    10 S   CT   _CG1    13     1.53052   112.68970  -168.28239
   14    13 S   HC   HG11    14     1.09535   110.93105   -67.82629
   15    13 S   HC   HG12    15     1.09651   109.58520    51.43441
   16    13 S   C    _CD1    16     1.51777   111.64289   172.23312
   17    16 S   O    _OE1    17     1.22788   122.91770    21.32495
   18    16 S   N    _N2_    18     1.38654   112.06296  -159.29823
   19    18 S   H    _HN2    19     1.01558   119.16001     0.79893
   20    18 S   CT1  _CA2    20     1.46251   123.22833   176.39723
   21    20 S   HC   _HA2    21     1.09757   109.18523     3.14049
   22    20 S   C    _C2_    22     1.53570   108.57968  -112.13604
   23    22 S   O    _O2_    23     1.23041   122.32701  -148.56032
   24    20 S   CT   _CB2    32     1.53462   112.06137   124.92892
   25    24 S   HC   HB21    33     1.09547   110.24433    59.25017
   26    24 S   HC   HB22    34     1.09410   109.46944   178.09074
   27    22 S   N    _N3_    24     1.38352   113.64234    38.86133
   28    27 S   H    _HN3    25     1.01567   119.52547    -3.22901
   29    24 S   S    _SG2    35     1.82902   110.77247   -60.85689
   30    27 S   CT   _CA3    26     1.45268   123.36057   177.26319
   31    30 S   HC   HA31    27     1.09545   107.51178   -64.95942
   32    30 S   HC   HA32    28     1.09553   108.00848    51.51544
   33    29 S   CT   _C19    36     1.86464   102.18530  -159.48828
   34    30 S   CO3  _C3_    29     1.52997   113.98776   173.50892
   35    34 S   O2Z  _O31    30     1.26396   116.06628    -0.59479
   36    34 S   O2Z  _O32    31     1.26422   114.42206   179.46551
   37    33 S   CM   _C5_    37     1.51320   108.38843    65.99016
   38    37 S   HC   _H29    38     1.09219   114.44918    27.03603
   39    33 S   CT   _C14    59     1.56699   109.11825  -175.23840
   40    39 S   HC   _H33    60     1.09791   108.31031   167.36415
   41    39 S   HC   _H34    61     1.10019   107.17695    55.40042
   42    33 S   CT   _C23    82     1.54229   107.09328   -58.29874
   43    42 S   HC   _H48    83     1.09700   111.60842   -49.75610
   44    42 S   HC   _H49    84     1.09578   111.64209  -168.14334
   45    42 S   HC   _H50    85     1.09572   112.30036    71.77827
   46    37 S   CMA  _C6_    39     1.35019   128.52724  -160.07354
   47    46 S   OM   _O21    40     1.25909   134.26102     8.15731
   48    46 S   CM   _C4_    41     1.45618   114.93243  -165.93863
   49    48 S   HC   _H28    42     1.09061   113.82219   -92.43266
   50    48 S   CM   _C7_    43     1.35234   126.94767    87.32339
   51    50 S   CT   _C15    44     1.52648   128.31718     3.50297
   52    51 S   HC   _H35    45     1.09746   107.59430  -151.76361
   53    50 S   CT   _C20    78     1.51219   118.30999   179.86583
   54    53 S   HC   _H39    79     1.09509   110.11623   120.45426
   55    53 S   HC   _H40    80     1.09520   112.60293     0.54429
   56    53 S   HC   _H41    81     1.09493   110.41816  -119.62914
   57    51 S   CT   _C17    46     1.55499   122.41141   -27.08429
   58    57 S   HC   _H37    47     1.09028   109.93259    68.62702
   59    51 S   OH   _O25    76     1.43925   106.08579    96.30971
   60    59 S   HO   _H51    77     0.97423   106.87858   -64.49877
   61    57 S   CT   _C16    48     1.53163   115.71914   -61.69677
   62    61 S   HC   _H36    49     1.09242   112.99868    28.67221
   63    61 S   CM   _C8_    50     1.49994    99.27751   -86.18626
   64    61 S   CT   _C18    57     1.55786   114.91540   156.90678
   65    64 S   HC   _H38    58     1.09969   107.72914    67.57709
   66    63 S   CO4  _C9_    51     1.47442   108.73822   -26.62564
   67    66 S   O    _O22    52     1.21669   127.35452  -167.51050
   68    63 S   CM   _C10    54     1.33526   128.83057   150.18626
   69    68 S   HC   _H30    55     1.08462   120.71191     1.54015
   70    68 S   HC   _H31    56     1.08495   121.71379  -178.28856
   71    64 S   OS   _O26    62     1.45069   106.81177  -176.21038
   72    57 S   OS   _O24    53     1.45693   107.57063  -177.59385
   73    71 S   CO4  _C13    63     1.36042   118.04573  -148.57014
   74    73 S   O    _O23    64     1.22228   126.20411     4.02273
   75    73 S   CM   _C12    65     1.49399   109.20633  -174.31656
   76    75 S   CM   _C11    66     1.34590   115.77628   155.09991
   77    76 S   HC   _H32    67     1.08936   119.33141     0.19683
   78    75 S   CT   _C22    72     1.49890   118.26393   -25.47816
   79    78 S   HC   _H45    73     1.09506   110.33944   -46.09698
   80    78 S   HC   _H46    74     1.09449   110.62687    73.99270
   81    78 S   HC   _H47    75     1.09273   112.95112  -164.92106
   82    76 S   CT   _C21    68     1.49515   127.27018  -178.12696
   83    82 S   HC   _H42    69     1.09406   109.93166  -112.68471
   84    82 S   HC   _H43    70     1.09442   109.19882   128.89672
   85    82 S   HC   _H44    71     1.09177   113.65967     9.19556
  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
  16   2   1   1  14   5  15   6   5   5   2   1   1   6   3  10
   3  12  15   7   5   2   1   1  13   7   3   1  12   7   9   8
   2   5   2   3   1   1   5   1   9   3  10   9   5   4   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    64    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    61    64    65    39    40    41    71    42    43    44    45  
   35    36  
   36  
    0  
   38    46    47    48    49    50    64    39    40    41    42    43    44    45  
   46    47    48    39    42  
   40    41    71    73    42    43    44    45    46    57    61    62    63    64    65  
   41    71    42    61    64    65  
   71    42    61    64    65  
   43    44    45    46    64  
   44    45  
   45  
    0  
   47    48    49    50    51    53  
   48    49    50  
   49    50    51    52    57    59    53    54    55    56  
   50    51    53  
   51    52    57    58    61    72    59    60    53    54    55    56  
   52    57    58    61    62    63    66    72    64    59    60    53    54    55    56  
   57    58    61    72    59    60    53  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    61    62    63    66    67    72    68    64    65    71    59    60  
   61    62    63    66    72    64    59  
   60    61    72  
    0  
   62    63    66    67    72    68    69    70    64    65    71    73  
   63    66    72    68    64    65    71  
   66    67    72    68    69    70    64    65    71  
   65    71    73    74    75    66    68    72  
   71    73  
   67    72    68    69    70  
   72    68  
   69    70    72  
   70  
    0  
   73    74    75    76    78  
    0  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    48   465.000  1.376
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   320.000  1.410
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    72   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    72   214.000  1.327
   68    69   340.000  1.080
   68    70   340.000  1.080
   64    65   340.000  1.090
   64    39   268.000  1.529
   64    71   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   71    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    65.00000  137.10300
   37    46    48    70.00000  123.01800
   46    37    38    40.00000  120.50800
   46    48    49    40.00000  120.50800
   46    48    50    70.00000  117.34000
   48    46    47    65.00000  137.10300
   48    50    51    70.00000  124.00000
   48    50    53    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    59    90.00000  110.39200
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    61    58.35000  112.70000
   51    57    72    50.00000  109.50000
   51    59    60    55.00000  108.50000
   57    51    52    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    70.00000  112.02700
   57    61    64    58.35000  112.70000
   57    72    66    83.00000  116.90000
   61    57    58    37.50000  110.70000
   61    63    66    65.00000  116.34900
   61    63    68    70.00000  124.00000
   61    64    65    37.50000  110.70000
   61    64    39    58.35000  112.70000
   61    64    71    50.00000  109.50000
   63    61    62    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    72    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   72    57    58    35.00000  109.50000
   72    57    61    50.00000  109.50000
   72    66    67    83.00000  123.40000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   64    61    62    37.50000  110.70000
   64    61    63    70.00000  112.02700
   64    39    40    37.50000  110.70000
   64    39    41    37.50000  110.70000
   64    71    73    83.00000  116.90000
   39    33    37    70.00000  112.02700
   39    64    65    37.50000  110.70000
   41    39    40    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    39    50.00000  109.50000
   71    73    74    83.00000  123.40000
   71    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    57    50.00000  109.50000
   53    50    51    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
   42    33    37    70.00000  112.02700
   42    33    39    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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  -0.62250  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    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  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    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    48   7.00000 -1.0 2.0
   37    33    39    64   0.34400  1.0 1.0
   37    33    39    64   0.09450 -1.0 2.0
   37    33    39    64   0.11100  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    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   7.00000 -1.0 2.0
   37    46    48    50   7.00000 -1.0 2.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    48   7.00000 -1.0 2.0
   46    48    50    51   7.00000 -1.0 2.0
   46    48    50    53   7.00000 -1.0 2.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    50    51    52   0.00000  1.0 1.0
   48    50    51    57   0.09850  1.0 1.0
   48    50    51    57   0.15250 -1.0 2.0
   48    50    51    57  -0.50650  1.0 3.0
   48    50    51    59   0.67800  1.0 1.0
   48    50    51    59   0.47050 -1.0 2.0
   48    50    51    59  -0.62500  1.0 3.0
   48    50    53    54   0.00000  1.0 1.0
   48    50    53    55   0.00000  1.0 1.0
   48    50    53    56   0.00000  1.0 1.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    61   0.34400  1.0 1.0
   50    51    57    61   0.09450 -1.0 2.0
   50    51    57    61   0.11100  1.0 3.0
   50    51    57    72   0.61850  1.0 1.0
   50    51    57    72  -0.22750 -1.0 2.0
   50    51    57    72   0.15300  1.0 3.0
   50    51    59    60  -0.07800  1.0 1.0
   50    51    59    60  -0.21500 -1.0 2.0
   50    51    59    60  -0.03150  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    61    62   0.15000  1.0 3.0
   51    57    61    63   0.34400  1.0 1.0
   51    57    61    63   0.09450 -1.0 2.0
   51    57    61    63   0.11100  1.0 3.0
   51    57    61    64   0.56750  1.0 1.0
   51    57    61    64  -0.07550 -1.0 2.0
   51    57    61    64   0.20000  1.0 3.0
   51    57    72    66  -0.25900  1.0 1.0
   51    57    72    66  -0.47000 -1.0 2.0
   51    57    72    66   0.11750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    61   0.15000  1.0 3.0
   52    51    57    72   0.23400  1.0 3.0
   52    51    59    60   0.19450  1.0 3.0
   57    51    59    60  -0.11600  1.0 1.0
   57    51    59    60  -0.09450 -1.0 2.0
   57    51    59    60   0.21250  1.0 3.0
   57    61   -63    66   0.09700  1.0 1.0
   57    61   -63    66   0.15600 -1.0 2.0
   57    61   -63    66  -0.50800  1.0 3.0
   57    61    63    68   0.09850  1.0 1.0
   57    61    63    68   0.15250 -1.0 2.0
   57    61    63    68  -0.50650  1.0 3.0
   57    61    64    65   0.15000  1.0 3.0
   57    61    64    39   0.56750  1.0 1.0
   57    61    64    39  -0.07550 -1.0 2.0
   57    61    64    39   0.20000  1.0 3.0
   57    61    64    71   0.62750  1.0 1.0
   57    61    64    71  -0.30950 -1.0 2.0
   57    61    64    71   0.27300  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   58    57    72    66   0.08050  1.0 3.0
   61    57   -72    66  -0.25900  1.0 1.0
   61    57   -72    66  -0.47000 -1.0 2.0
   61    57   -72    66   0.11750  1.0 3.0
   61    63    66    67  -0.64400  1.0 1.0
   61    63    66    67   0.26850 -1.0 2.0
   61    63   -66    72  -0.15000  1.0 1.0
   61    63   -66    72   0.89550 -1.0 2.0
   61    63   -66    72  -0.06900  1.0 3.0
   61    63    68    69   7.00000 -1.0 2.0
   61    63    68    70   7.00000 -1.0 2.0
   61    64    39    33   0.56750  1.0 1.0
   61    64    39    33  -0.07550 -1.0 2.0
   61    64    39    33   0.20000  1.0 3.0
   61    64    39    40   0.15000  1.0 3.0
   61    64    39    41   0.15000  1.0 3.0
   61    64    71    73  -0.25900  1.0 1.0
   61    64    71    73  -0.47000 -1.0 2.0
   61    64    71    73   0.11750  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    68   0.00000  1.0 1.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    39   0.15000  1.0 3.0
   62    61    64    71   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    39   0.34400  1.0 1.0
   63    61    64    39   0.09450 -1.0 2.0
   63    61    64    39   0.11100  1.0 3.0
   63    61    64    71   0.61850  1.0 1.0
   63    61    64    71  -0.22750 -1.0 2.0
   63    61    64    71   0.15300  1.0 3.0
   63    66   -72    57   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   67    66    72    57   3.00000 -1.0 2.0
   72    57    61    62   0.23400  1.0 3.0
   72    57   -61    63   0.61850  1.0 1.0
   72    57   -61    63  -0.22750 -1.0 2.0
   72    57   -61    63   0.15300  1.0 3.0
   72    57    61    64   0.62750  1.0 1.0
   72    57    61    64  -0.30950 -1.0 2.0
   72    57    61    64   0.27300  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    72  -0.56150  1.0 1.0
   68    63    66    72   2.19150 -1.0 2.0
   64    61    63    66   0.09700  1.0 1.0
   64    61    63    66   0.15600 -1.0 2.0
   64    61    63    66  -0.50800  1.0 3.0
   64    61    63    68   0.09850  1.0 1.0
   64    61    63    68   0.15250 -1.0 2.0
   64    61    63    68  -0.50650  1.0 3.0
   64    71    73    74   3.00000 -1.0 2.0
   64    71    73    75   2.00000 -1.0 2.0
   65    64    39    33   0.15000  1.0 3.0
   65    64    39    40   0.15000  1.0 3.0
   65    64    39    41   0.15000  1.0 3.0
   65    64    71    73   0.08050  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    45   0.15000  1.0 3.0
   39    64    71    73  -0.25900  1.0 1.0
   39    64    71    73  -0.47000 -1.0 2.0
   39    64    71    73   0.11750  1.0 3.0
   71    64    39    33   0.62750  1.0 1.0
   71    64    39    33  -0.30950 -1.0 2.0
   71    64    39    33   0.27300  1.0 3.0
   71    64    39    40   0.23400  1.0 3.0
   71    64    39    41   0.23400  1.0 3.0
   71    73    75    76  -0.56150  1.0 1.0
   71    73    75    76   2.19150 -1.0 2.0
   71    73    75    78  -0.15000  1.0 1.0
   71    73    75    78   0.89550 -1.0 2.0
   71    73    75    78  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    84   0.00000  1.0 1.0
   75    76    82    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    61   0.86500  1.0 1.0
   59    51    57    61  -0.17500 -1.0 2.0
   59    51    57    61   0.20800  1.0 3.0
   59    51    57    72   3.69350  1.0 1.0
   59    51    57    72  -1.82950 -1.0 2.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    59   0.18000  1.0 1.0
   53    50    51    59   0.16450 -1.0 2.0
   53    50    51    59   0.04450  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    46   0.09850  1.0 1.0
   42    33    37    46   0.15250 -1.0 2.0
   42    33    37    46  -0.50650  1.0 3.0
   42    33    39    64   0.56750  1.0 1.0
   42    33    39    64  -0.07550 -1.0 2.0
   42    33    39    64   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  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    46   1.10000 -1.0 2.0
   48    47    46    37   1.10000 -1.0 2.0
   46    49    48    50   1.10000 -1.0 2.0
   51    53    50    48   1.10000 -1.0 2.0
   61    66    63    68   1.10000 -1.0 2.0
   63    72    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   71    75    73    74  10.50000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
