* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    152    227     444
    1     0 S   NP   _N1_     1    28.97377    92.66940   -22.54325
    2     1 S   H    _HN1     2     1.02767    99.71013   -77.31317
    3     1 S   H    _H1_     3     1.03217    96.17990    31.94403
    4     1 S   H    _H2_     4     1.02804    17.10272   162.21307
    5     1 S   CT   _CA1     5     1.50092   127.94126   154.30950
    6     5 S   HC   _HA1     6     1.09574   105.22581    63.73530
    7     5 S   CO3  _C1_     7     1.53777   112.48114   -56.41337
    8     7 S   O2Z  _O11     8     1.26327   115.14060   -44.62314
    9     7 S   O2Z  _O12     9     1.26271   114.84933   134.59350
   10     5 S   CT   _CB1    10     1.53033   107.39559  -178.42853
   11    10 S   HC   HB11    11     1.09807   109.35243   -50.96004
   12    10 S   HC   HB12    12     1.09612   110.14948    65.61426
   13    10 S   CT   _CG1    13     1.52950   113.03953  -172.73299
   14    13 S   HC   HG11    14     1.09593   110.23364   -63.09779
   15    13 S   HC   HG12    15     1.09624   110.22087    56.11386
   16    13 S   C    _CD1    16     1.51868   112.08753   176.12627
   17    16 S   O    _OE1    17     1.22722   123.20392   -13.89433
   18    16 S   N    _N2_    18     1.38571   111.82309   167.40623
   19    18 S   H    _HN2    19     1.01575   119.08921     0.81924
   20    18 S   CT1  _CA2    20     1.46108   123.31863   179.68534
   21    20 S   HC   _HA2    21     1.09599   109.36338    -7.03804
   22    20 S   C    _C2_    22     1.53463   108.52273  -122.20551
   23    22 S   O    _O2_    23     1.23024   122.18177  -146.39636
   24    20 S   CT   _CB2    32     1.53311   111.50737   115.40068
   25    24 S   HC   HB21    33     1.09650   109.70684    57.54506
   26    24 S   HC   HB22    34     1.09557   111.14570   175.08681
   27    22 S   N    _N3_    24     1.38497   113.44021    41.14496
   28    27 S   H    _HN3    25     1.01515   118.92183    -0.97739
   29    24 S   S    _SG2    35     1.82822   114.21637   -62.37907
   30    27 S   CT   _CA3    26     1.45444   123.53602   174.69821
   31    30 S   HC   HA31    27     1.09514   109.38105    22.30748
   32    30 S   HC   HA32    28     1.09499   107.11784   139.35234
   33    29 S   CT   _C22    36     1.82371    99.54738   -70.01323
   34    33 S   HC   _H3_    37     1.09500   109.40904   -46.44662
   35    33 S   HC   _H4_    38     1.09326   108.85915    69.31173
   36    30 S   CO3  _C3_    29     1.52914   112.89282  -101.23438
   37    36 S   O2Z  _O31    30     1.26418   115.31593   -46.93910
   38    36 S   O2Z  _O32    31     1.26337   115.04477   133.91199
   39    33 S   CM   _C11    39     1.52068   110.24678  -167.51492
   40    39 S   CMA  _C12    40     1.36641   123.21990   -99.05719
   41    40 S   OM   _O20    41     1.26890   125.41792  -179.75055
   42    39 S   CT   _C21    80     1.51896   114.10959    82.21043
   43    42 S   HC   _H45    81     1.09387   113.31346  -177.81081
   44    42 S   HC   _H46    82     1.09497   110.32677   -57.48626
   45    40 S   OS   _O25    42     1.41981   111.50554     2.52755
   46    42 S   OH   _O24    83     1.42397   109.62095    61.90014
   47    46 S   HO   _H50    84     0.97196   106.80603   178.09258
   48    45 S   CT   _C18    43     1.45322   116.62885  -139.13923
   49    48 S   HC   _H39    44     1.09599   110.77769   -37.27355
   50    48 S   CT   _C14    45     1.56080   104.30313    82.37681
   51    50 S   HC   _H33    46     1.09908   107.66950    64.31614
   52    50 S   HC   _H34    47     1.09840   109.27346   -48.03233
   53    48 S   CT   _C17    62     1.56406   106.28539  -154.31254
   54    53 S   HC   _H38    63     1.09925   107.96600   -64.64191
   55    50 S   CM   _C6_    48     1.51098   117.81035  -169.38194
   56    53 S   CM   _C8_    64     1.51001   117.69406    54.80238
   57    55 S   CM   _C4_    49     1.35041   119.30390  -121.69489
   58    57 S   HC   _H27    50     1.08987   118.42041    -4.93265
   59    56 S   CO4  _C9_    65     1.48024   108.04296   157.19721
   60    59 S   O    _O21    66     1.21784   127.41930   161.88047
   61    56 S   CM   _C10    68     1.33660   133.35619   -20.14272
   62    61 S   HC   _H29    69     1.08173   122.62000    -1.49554
   63    61 S   HC   _H30    70     1.08607   121.54111   178.70035
   64    55 S   CT   _C19    76     1.50336   115.55889    55.71692
   65    64 S   HC   _H40    77     1.09356   111.00046   -70.28485
   66    64 S   HC   _H41    78     1.09237   113.05063   168.13140
   67    64 S   HC   _H42    79     1.09556   109.87607    49.36952
   68    57 S   CT   _C13    51     1.50972   126.45382   161.29521
   69    68 S   HC   _H31    52     1.09374   112.17947    27.53342
   70    68 S   HC   _H32    53     1.09605   109.06080   145.00296
   71    81 S   OS   _O22    67     1.43895   106.72166   107.10112
   72    68 S   CT   _C15    54     1.55006   109.92051   -94.90506
   73    72 S   HC   _H35    55     1.09834   109.34640   -69.14099
   74    72 S   HC   _H36    56     1.09585   109.79574   175.14239
   75    72 S   CM   _C7_    57     1.52408   110.81598    52.34313
   76    75 S   CM   _C5_    58     1.35143   118.10253   -85.30703
   77    76 S   HC   _H28    59     1.09002   117.96391   -11.10793
   78    75 S   CT   _C20    71     1.50394   116.09804    86.58750
   79    78 S   HC   _H43    72     1.09419   110.60430   -55.39555
   80    78 S   HC   _H44    73     1.09219   112.90938  -177.07671
   81    76 S   CT   _C16    60     1.49737   127.05211   158.55110
   82    81 S   HC   _H37    61     1.09649   111.53173   -10.33171
   83    78 S   OH   _O23    74     1.42315   109.00477    63.80858
   84    83 S   HO   _H49    75     0.97223   106.99157  -179.35837
  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   6   5   4   3
  10   4   3   2   1   1   9  10   3   5   3   2  10   1   1  16
   8  14   5   4  14   7  10   9  12   5   8   3   4   1   1   4
   2   1   1   8   5   4   5  10   4   3   9   7   3   5   3   2
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    42    43    44    46  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    45    48    42    43    44    46    47  
   41    45    48    49    50    53    42    43    44    46  
   45    48    42  
   43    44    46    47    45  
   44    46    47  
   46    47  
   48    49    50    51    52    55    81    53    54    56  
   47  
    0  
   49    50    51    52    55    57    76    81    82    53    54    56    59    71    61    64  
   50    51    52    55    81    53    54    56  
   51    52    55    57    58    68    81    53    54    56    64    65    66    67  
   52    55    57    53    64  
   55    57    53    64  
   54    56    59    60    71    61    62    63    55    75    76    77    81    82  
   56    59    71    61    76    81    82  
   57    58    68    69    70    72    64    65    66    67  
   59    60    71    61    62    63    76    81    82  
   58    68    69    70    72    73    74    75    64    65    66    67  
   68    69    70    72    64  
   60    71    61    62    63    76    81    82  
   71    61    81  
   62    63    71    81  
   63  
    0  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    72    73    74    75    76    78  
   70    72    73    74    75  
   72    73    74    75  
   75    76    77    81    82  
   73    74    75    76    77    81    78    79    80    83  
   74    75    76    78  
   75    76    78  
   76    77    81    82    78    79    80    83    84  
   77    81    82    78    79    80    83  
   81    82    78  
   79    80    83    84    81  
   80    83    84  
   83    84  
   82  
    0  
   84  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.145000   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.184000   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   0.145000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    57   549.000  1.340
   55    64   317.000  1.510
   57    58   340.000  1.080
   57    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    81   317.000  1.510
   81    82   340.000  1.090
   81    53   268.000  1.529
   81    71   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    71   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   320.000  1.410
   83    84   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   320.000  1.410
   46    47   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    45    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    90.00000  110.39200
   40    45    48    90.00000  111.18400
   45    40    41    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    50    50.00000  109.50000
   45    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.02700
   48    53    81    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    70.00000  124.00000
   50    55    64    65.00000  117.92700
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    57    58    35.00000  120.00000
   55    57    68    70.00000  124.00000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    67    35.00000  109.50000
   57    68    69    35.00000  109.50000
   57    68    70    35.00000  109.50000
   57    68    72    70.00000  112.02700
   68    57    58    35.00000  117.00000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    70.00000  112.02700
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    75    76    70.00000  124.00000
   72    75    78    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    76    77    35.00000  120.00000
   75    76    81    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    83    90.00000  110.39200
   76    81    82    35.00000  109.50000
   76    81    53    70.00000  112.02700
   76    81    71    85.00000  110.90400
   81    76    77    35.00000  117.00000
   81    53    54    37.50000  110.70000
   81    53    56    70.00000  112.02700
   81    71    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    81    82    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    71    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   71    81    82    35.00000  109.50000
   71    81    53    50.00000  109.50000
   71    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   78    75    76    70.00000  124.00000
   78    83    84    55.00000  108.50000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   64    55    57    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   42    39    40    70.00000  124.00000
   42    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.18000  1.0 1.0
   33    39    42    46   0.16450 -1.0 2.0
   33    39    42    46   0.04450  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    45    48  -2.26850  1.0 1.0
   39    40    45    48   3.39050 -1.0 2.0
   39    42    46    47  -0.07800  1.0 1.0
   39    42    46    47  -0.21500 -1.0 2.0
   39    42    46    47  -0.03150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    46   0.67800  1.0 1.0
   40    39    42    46   0.47050 -1.0 2.0
   40    39    42    46  -0.62500  1.0 3.0
   40    45    48    49   0.08050  1.0 3.0
   40    45    48    50  -0.46850  1.0 1.0
   40    45    48    50   0.09300 -1.0 2.0
   40    45    48    50  -0.12850  1.0 3.0
   40    45    48    53  -0.46850  1.0 1.0
   40    45    48    53   0.09300 -1.0 2.0
   40    45    48    53  -0.12850  1.0 3.0
   41    40    45    48   2.00000 -1.0 2.0
   45    48    50    51   0.23400  1.0 3.0
   45    48    50    52   0.23400  1.0 3.0
   45    48    50    55   0.61850  1.0 1.0
   45    48    50    55  -0.22750 -1.0 2.0
   45    48    50    55   0.15300  1.0 3.0
   45    48    53    81   0.62750  1.0 1.0
   45    48    53    81  -0.30950 -1.0 2.0
   45    48    53    81   0.27300  1.0 3.0
   45    48    53    54   0.23400  1.0 3.0
   45    48    53    56   0.61850  1.0 1.0
   45    48    53    56  -0.22750 -1.0 2.0
   45    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.09850  1.0 1.0
   48    50    55    57   0.15250 -1.0 2.0
   48    50    55    57  -0.50650  1.0 3.0
   48    50    55    64   0.46850  1.0 1.0
   48    50    55    64   0.08550 -1.0 2.0
   48    50    55    64   0.09800  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    81   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    81   0.56750  1.0 1.0
   50    48    53    81  -0.07550 -1.0 2.0
   50    48    53    81   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   7.00000 -1.0 2.0
   50    55    57    68   7.00000 -1.0 2.0
   50    55    64    65   0.34800  1.0 3.0
   50    55    64    66   0.34800  1.0 3.0
   50    55    64    67   0.34800  1.0 3.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    64   0.34800  1.0 3.0
   52    50    55    57   0.00000  1.0 1.0
   52    50    55    64   0.34800  1.0 3.0
   55    57    68    69   0.00000  1.0 1.0
   55    57    68    70   0.00000  1.0 1.0
   55    57    68    72   0.09850  1.0 1.0
   55    57    68    72   0.15250 -1.0 2.0
   55    57    68    72  -0.50650  1.0 3.0
   57    55    64    65   0.00000  1.0 1.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    67   0.00000  1.0 1.0
   57    68    72    73   0.15000  1.0 3.0
   57    68    72    74   0.15000  1.0 3.0
   57    68    72    75   0.31000  1.0 1.0
   57    68    72    75   0.14700 -1.0 2.0
   57    68    72    75   0.07550  1.0 3.0
   58    57    68    69   0.33100  1.0 3.0
   58    57    68    70   0.33100  1.0 3.0
   58    57    68    72   0.00000  1.0 1.0
   68    72    75    76   0.09850  1.0 1.0
   68    72    75    76   0.15250 -1.0 2.0
   68    72    75    76  -0.50650  1.0 3.0
   68    72    75    78   0.46850  1.0 1.0
   68    72    75    78   0.08550 -1.0 2.0
   68    72    75    78   0.09800  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    75   0.15000  1.0 3.0
   72    75    76    77   7.00000 -1.0 2.0
   72    75    76    81   7.00000 -1.0 2.0
   72    75    78    79   0.34800  1.0 3.0
   72    75    78    80   0.34800  1.0 3.0
   72    75    78    83   0.18000  1.0 1.0
   72    75    78    83   0.16450 -1.0 2.0
   72    75    78    83   0.04450  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    78   0.34800  1.0 3.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    78   0.34800  1.0 3.0
   75    76    81    82   0.00000  1.0 1.0
   75    76    81    53   0.09850  1.0 1.0
   75    76    81    53   0.15250 -1.0 2.0
   75    76    81    53  -0.50650  1.0 3.0
   75    76    81    71   0.39000  1.0 1.0
   75    76    81    71  -0.05800 -1.0 2.0
   75    76    81    71  -0.55150  1.0 3.0
   75    78    83    84  -0.07800  1.0 1.0
   75    78    83    84  -0.21500 -1.0 2.0
   75    78    83    84  -0.03150  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    83   0.67800  1.0 1.0
   76    75    78    83   0.47050 -1.0 2.0
   76    75    78    83  -0.62500  1.0 3.0
   76    81    53    48   0.34400  1.0 1.0
   76    81    53    48   0.09450 -1.0 2.0
   76    81    53    48   0.11100  1.0 3.0
   76    81    53    54   0.15000  1.0 3.0
   76    81    53    56   0.31000  1.0 1.0
   76    81    53    56   0.14700 -1.0 2.0
   76    81    53    56   0.07550  1.0 3.0
   76    81    71    59  -0.82050  1.0 1.0
   76    81    71    59   0.00600 -1.0 2.0
   76    81    71    59   0.04400  1.0 3.0
   77    76    81    82   0.33100  1.0 3.0
   77    76    81    53   0.00000  1.0 1.0
   77    76    81    71   0.00000  1.0 1.0
   81    53   -56    59   0.09700  1.0 1.0
   81    53   -56    59   0.15600 -1.0 2.0
   81    53   -56    59  -0.50800  1.0 3.0
   81    53    56    61   0.09850  1.0 1.0
   81    53    56    61   0.15250 -1.0 2.0
   81    53    56    61  -0.50650  1.0 3.0
   82    81    53    48   0.15000  1.0 3.0
   82    81    53    54   0.15000  1.0 3.0
   82    81    53    56   0.15000  1.0 3.0
   82    81    71    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.34400  1.0 1.0
   53    48    50    55   0.09450 -1.0 2.0
   53    48    50    55   0.11100  1.0 3.0
   53    81   -71    59  -0.25900  1.0 1.0
   53    81   -71    59  -0.47000 -1.0 2.0
   53    81   -71    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    71  -0.15000  1.0 1.0
   53    56   -59    71   0.89550 -1.0 2.0
   53    56   -59    71  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -71    81   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    71    81   3.00000 -1.0 2.0
   71    81    53    48   0.62750  1.0 1.0
   71    81    53    48  -0.30950 -1.0 2.0
   71    81    53    48   0.27300  1.0 3.0
   71    81    53    54   0.23400  1.0 3.0
   71    81   -53    56   0.61850  1.0 1.0
   71    81   -53    56  -0.22750 -1.0 2.0
   71    81   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    71  -0.56150  1.0 1.0
   61    56    59    71   2.19150 -1.0 2.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    81   7.00000 -1.0 2.0
   79    78    83    84   0.19450  1.0 3.0
   80    78    83    84   0.19450  1.0 3.0
   64    55    57    58   7.00000 -1.0 2.0
   64    55    57    68   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47   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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    45    40    39  15.00000 -1.0 2.0
   50    64    55    57   1.10000 -1.0 2.0
   68    58    57    55   1.10000 -1.0 2.0
   72    78    75    76   1.10000 -1.0 2.0
   81    77    76    75   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    71    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
