* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    158    248     472
    1     0 S   NP   _N1_     1    29.37471    97.41866   -21.56477
    2     1 S   H    _HN1     2     1.02787    85.39151   -79.99301
    3     1 S   H    _H1_     3     1.02960    74.88459    30.39116
    4     1 S   H    _H2_     4     1.02834    48.11757   160.94825
    5     1 S   CT   _CA1     5     1.50109   157.42990   137.32669
    6     5 S   HC   _HA1     6     1.09561   105.30235    77.87219
    7     5 S   CO3  _C1_     7     1.53907   112.34895   -42.57191
    8     7 S   O2Z  _O11     8     1.26352   115.06566   -43.13992
    9     7 S   O2Z  _O12     9     1.26236   114.96461   136.09438
   10     5 S   CT   _CB1    10     1.53086   107.44048  -163.96863
   11    10 S   HC   HB11    11     1.09817   109.74711   -48.20203
   12    10 S   HC   HB12    12     1.09831   110.18949    68.44803
   13    10 S   CT   _CG1    13     1.52978   112.58103  -169.22737
   14    13 S   HC   HG11    14     1.09476   110.31189   -57.15686
   15    13 S   HC   HG12    15     1.09616   110.22946    62.07543
   16    13 S   C    _CD1    16     1.51700   112.18489  -177.20845
   17    16 S   O    _OE1    17     1.22727   123.23380    -8.72828
   18    16 S   N    _N2_    18     1.38489   111.59301   171.12600
   19    18 S   H    _HN2    19     1.01646   119.47883     3.86543
   20    18 S   CT1  _CA2    20     1.46188   123.57284  -174.80925
   21    20 S   HC   _HA2    21     1.09728   109.38506    -7.34510
   22    20 S   C    _C2_    22     1.53343   109.17949  -123.20787
   23    22 S   O    _O2_    23     1.23053   122.33676  -151.82677
   24    20 S   CT   _CB2    32     1.53364   110.47988   114.30737
   25    24 S   HC   HB21    33     1.09500   110.01903    55.00306
   26    24 S   HC   HB22    34     1.09485   110.96167   174.18405
   27    22 S   N    _N3_    24     1.38347   113.64050    35.43753
   28    27 S   H    _HN3    25     1.01632   119.36744    -3.60587
   29    24 S   S    _SG2    35     1.82468   110.92921   -66.19892
   30    27 S   CT   _CA3    26     1.45254   123.15540   177.74832
   31    30 S   HC   HA31    27     1.09545   107.45986   -66.50411
   32    30 S   HC   HA32    28     1.09565   108.01787    49.92972
   33    29 S   CT   _C9_    36     1.82479    99.44034   155.11653
   34    33 S   HC   _H3_    37     1.09475   106.09599    44.95158
   35    30 S   CO3  _C3_    29     1.52928   114.15179   171.94836
   36    35 S   O2Z  _O31    30     1.26361   116.08335    -0.14804
   37    35 S   O2Z  _O32    31     1.26436   114.39773   179.94405
   38    33 S   CM   _C4_    38     1.49724   110.21737   162.57489
   39    33 S   OS   _O19    53     1.43223   114.04267   -70.76169
   40    38 S   CT   _C8_    39     1.49534   119.88522    90.95970
   41    40 S   HC   _H31    40     1.09997   108.22742   149.08346
   42    38 S   CMA  _C5_    81     1.51836   120.38689   -92.78852
   43    42 S   OM   _O17    82     1.26238   120.62438   -62.01155
   44    42 S   OM   _O18    83     1.26234   120.56020   118.35915
   45    40 S   CT   _C6_    41     1.53826   114.75521   -91.25745
   46    45 S   HC   _H27    42     1.09419   113.66430    17.96316
   47    45 S   HC   _H28    43     1.09669   109.72150  -101.32200
   48    45 S   CT   _C7_    44     1.52799   106.38455   139.49753
   49    48 S   HC   _H29    45     1.09490   111.68956   134.28563
   50    48 S   HC   _H30    46     1.09674   109.59002  -106.85308
   51    48 S   CT   _C11    47     1.52902   105.22026    12.68091
   52    51 S   HC   _H34    48     1.09968   108.02457    79.69024
   53    40 S   CT   _C10    49     1.53565   113.33346    30.34891
   54    53 S   HC   _H33    50     1.09914   109.21639    84.06900
   55    51 S   CT   _C18    77     1.51958   112.39350  -161.93015
   56    55 S   HC   _H41    78     1.09406   112.11811    54.76355
   57    55 S   HC   _H42    79     1.09546   110.21657   -64.44797
   58    55 S   HC   _H43    80     1.09447   110.84842   176.40631
   59    53 S   CO   _C16    51     1.54214   113.07363   -36.12062
   60    59 S   HC   _H39    52     1.09603   111.08376   -71.58422
   61    59 S   OS1  _O25    54     1.43407   105.97076   169.46705
   62    61 S   CO1  _C17    55     1.42962   115.02087   158.80484
   63    62 S   HC   _H40    56     1.09648   108.88036   -46.97870
   64    62 S   CT   _C14    57     1.53752   106.87339  -164.66350
   65    64 S   HC   _H37    58     1.09589   110.51331    59.25041
   66    64 S   CT   _C12    59     1.52775   110.11517  -178.05057
   67    66 S   HC   _H35    60     1.09590   108.59417   -68.13614
   68    64 S   OH5  _O23    75     1.43200   109.45232   -57.08869
   69    68 S   HO   _H48    76     0.97292   106.73716  -174.18244
   70    66 S   CT   _C13    61     1.53047   111.71762    51.89218
   71    70 S   HC   _H36    62     1.09602   109.77553  -173.12434
   72    66 S   OH5  _O21    73     1.42525   109.73437   174.69710
   73    72 S   HO   _H46    74     0.97287   107.41436   173.07947
   74    70 S   CT   _C15    63     1.53567   109.89465   -51.51287
   75    74 S   HC   _H38    64     1.09762   109.97621   -64.19142
   76    70 S   OH5  _O22    71     1.42825   110.68155    69.77957
   77    76 S   HO   _H47    72     0.97289   107.30089    44.75322
   78    62 S   OS1  _O20    65     1.43146   112.55799    73.99836
   79    74 S   CT   _C19    66     1.52831   111.40378   174.49387
   80    79 S   HC   _H44    67     1.09439   111.09795    47.01553
   81    79 S   HC   _H45    68     1.09479   111.48562   -75.65471
   82    79 S   OH5  _O24    69     1.42244   108.96370   165.49531
   83    82 S   HO   _H49    70     0.97280   107.13291   178.54667
  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   7   5   4   3
  13   5   2   1   1  14   9  18   9   4   1   1  11   6   5  11
   5   4  10   7   9   4   4   2   1   1   6   2   8  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    59    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    53    59    60    39    61    42    43    44  
   38    40    59    39    42  
   36    37  
   37  
    0  
   40    41    45    46    47    48    51    53    54    59    39    42    43    44  
   61    62    42    40    51    53    54    59    60  
   41    45    46    47    48    49    50    51    52    53    54    59    60    61    55    42    43    44  
   45    46    47    48    51    53    54    59    42  
   43    44    45    53  
   44  
    0  
   46    47    48    49    50    51    52    53    54    59    55  
   47    48    49    50    51    53  
   48    49    50    51    53  
   49    50    51    52    53    54    59    55    56    57    58  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    59    60    61    55    56    57    58  
   53    54    59    55    56    57    58  
   54    59    60    61    62    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    78  
   61    62  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    53   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   250.000  1.527
   59    60   340.000  1.090
   59    39   320.000  1.380
   59    61   320.000  1.380
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    59    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    45    70.00000  112.02700
   38    40    53    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   40    53    51    58.35000  112.70000
   40    53    54    37.50000  110.70000
   40    53    59    75.00000  109.43000
   45    40    41    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    75.00000  109.43000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    40    41    37.50000  110.70000
   53    40    45    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    59    60    45.00000  112.01100
   53    59    39    90.00000  108.56700
   53    59    61    90.00000  108.56700
   59    53    54    45.00000  108.72000
   59    61    62    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    59    60    35.00000  109.50000
   61    59    60    35.00000  109.50000
   61    59    39    92.60000  111.55000
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   42    38    40    70.00000  124.00000
   44    42    43    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    59   0.14700  1.0 1.0
   29    33    39    59  -1.16150 -1.0 2.0
   29    33    39    59   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    45   0.46850  1.0 1.0
   33    38    40    45   0.08550 -1.0 2.0
   33    38    40    45   0.09800  1.0 3.0
   33    38    40    53   0.46850  1.0 1.0
   33    38    40    53   0.08550 -1.0 2.0
   33    38    40    53   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    59   0.37050  1.0 3.0
   38    33    39    59  -0.77900  1.0 1.0
   38    33    39    59  -0.36900 -1.0 2.0
   38    33    39    59   0.40400  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    48   0.34400  1.0 1.0
   38    40    45    48   0.09450 -1.0 2.0
   38    40    45    48   0.11100  1.0 3.0
   38    40    53    51   0.34400  1.0 1.0
   38    40    53    51   0.09450 -1.0 2.0
   38    40    53    51   0.11100  1.0 3.0
   38    40    53    54   0.15000  1.0 3.0
   38    40   -53    59   0.34400  1.0 1.0
   38    40   -53    59   0.09450 -1.0 2.0
   38    40   -53    59   0.11100  1.0 3.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    44   7.00000 -1.0 2.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.15000  1.0 3.0
   40    45   -48    51   0.56750  1.0 1.0
   40    45   -48    51  -0.07550 -1.0 2.0
   40    45   -48    51   0.20000  1.0 3.0
   40    53    59    60   0.15000  1.0 3.0
   40    53    59    39   0.62750  1.0 1.0
   40    53    59    39  -0.30950 -1.0 2.0
   40    53    59    39   0.27300  1.0 3.0
   40    53    59    61   0.62750  1.0 1.0
   40    53    59    61  -0.30950 -1.0 2.0
   40    53    59    61   0.27300  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    53    51   0.15000  1.0 3.0
   41    40    53    54   0.15000  1.0 3.0
   41    40    53    59   0.15000  1.0 3.0
   45    40   -53    51   0.56750  1.0 1.0
   45    40   -53    51  -0.07550 -1.0 2.0
   45    40   -53    51   0.20000  1.0 3.0
   45    40    53    54   0.15000  1.0 3.0
   45    40    53    59   3.97050  1.0 1.0
   45    48    51    52   0.15000  1.0 3.0
   45    48   -51    53   0.56750  1.0 1.0
   45    48   -51    53  -0.07550 -1.0 2.0
   45    48   -51    53   0.20000  1.0 3.0
   45    48    51    55   0.56750  1.0 1.0
   45    48    51    55  -0.07550 -1.0 2.0
   45    48    51    55   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51   -53    40   0.56750  1.0 1.0
   48    51   -53    40  -0.07550 -1.0 2.0
   48    51   -53    40   0.20000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    59   3.97050  1.0 1.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51    55    58   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    55   0.15000  1.0 3.0
   51    53    59    60   0.15000  1.0 3.0
   51    53    59    39   0.62750  1.0 1.0
   51    53    59    39  -0.30950 -1.0 2.0
   51    53    59    39   0.27300  1.0 3.0
   51    53    59    61   0.62750  1.0 1.0
   51    53    59    61  -0.30950 -1.0 2.0
   51    53    59    61   0.27300  1.0 3.0
   52    51    53    40   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    40    45    46   0.15000  1.0 3.0
   53    40    45    47   0.15000  1.0 3.0
   53    40   -45    48   0.56750  1.0 1.0
   53    40   -45    48  -0.07550 -1.0 2.0
   53    40   -45    48   0.20000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59   -39    33   0.06250  1.0 1.0
   53    59   -39    33  -0.01100 -1.0 2.0
   53    59   -39    33   0.28050  1.0 3.0
   53    59    61    62   0.06250  1.0 1.0
   53    59    61    62  -0.01100 -1.0 2.0
   53    59    61    62   0.28050  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    39   0.23400  1.0 3.0
   54    53    59    61   0.23400  1.0 3.0
   59    61    62    63   0.37050  1.0 3.0
   59    61    62    64   0.06250  1.0 1.0
   59    61    62    64  -0.01100 -1.0 2.0
   59    61    62    64   0.28050  1.0 3.0
   59    61    62    78  -0.12700  1.0 1.0
   59    61    62    78  -1.16200 -1.0 2.0
   59    61    62    78   0.58800  1.0 3.0
   60    59    39    33   0.37050  1.0 3.0
   60    59    61    62   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    59    61    62  -0.53350  1.0 1.0
   39    59    61    62  -0.78350 -1.0 2.0
   39    59    61    62   0.33750  1.0 3.0
   61    59    39    33  -0.81800  1.0 1.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   55    51    53    40   0.56750  1.0 1.0
   55    51    53    40  -0.07550 -1.0 2.0
   55    51    53    40   0.20000  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   3.97050  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45   0.09850  1.0 1.0
   42    38    40    45   0.15250 -1.0 2.0
   42    38    40    45  -0.50650  1.0 3.0
   42    38    40    53   0.09850  1.0 1.0
   42    38    40    53   0.15250 -1.0 2.0
   42    38    40    53  -0.50650  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    42   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
