* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    166    242     488
    1     0 S   NP   _N1_     1    28.57196    96.87897   -22.44508
    2     1 S   H    _HN1     2     1.02784    97.54618   -84.31153
    3     1 S   H    _H1_     3     1.02951    71.53851    22.58408
    4     1 S   H    _H2_     4     1.02829    42.74446   167.44149
    5     1 S   CT   _CA1     5     1.50115   146.77808   121.84951
    6     5 S   HC   _HA1     6     1.09574   105.20236    90.50989
    7     5 S   CO3  _C1_     7     1.53792   112.41084   -29.71906
    8     7 S   O2Z  _O11     8     1.26372   115.00774   -43.61058
    9     7 S   O2Z  _O12     9     1.26240   114.94327   135.48360
   10     5 S   CT   _CB1    10     1.53078   107.41193  -151.53551
   11    10 S   HC   HB11    11     1.09832   109.37732   -49.90357
   12    10 S   HC   HB12    12     1.09813   110.44872    66.69958
   13    10 S   CT   _CG1    13     1.52987   112.60125  -170.89321
   14    13 S   HC   HG11    14     1.09586   110.59780   -65.13356
   15    13 S   HC   HG12    15     1.09668   109.82323    54.09527
   16    13 S   C    _CD1    16     1.51801   112.24182   174.52955
   17    16 S   O    _OE1    17     1.22736   123.29208     5.35943
   18    16 S   N    _N2_    18     1.38650   111.65492  -174.71517
   19    18 S   H    _HN2    19     1.01580   119.00208     1.58338
   20    18 S   CT1  _CA2    20     1.46176   123.35640   177.95751
   21    20 S   HC   _HA2    21     1.09748   109.32503     1.29422
   22    20 S   C    _C2_    22     1.53529   108.71427  -114.12835
   23    22 S   O    _O2_    23     1.23058   122.29029  -148.69182
   24    20 S   CT   _CB2    32     1.53407   111.66585   123.21799
   25    24 S   HC   HB21    33     1.09411   109.86153    56.61217
   26    24 S   HC   HB22    34     1.09466   109.74814   175.42076
   27    22 S   N    _N3_    24     1.38335   113.69825    38.83455
   28    27 S   H    _HN3    25     1.01591   119.56712    -3.46295
   29    24 S   S    _SG2    35     1.82915   111.15755   -64.34434
   30    27 S   CT   _CA3    26     1.45279   123.18292   177.03786
   31    30 S   HC   HA31    27     1.09550   107.52875   -64.09581
   32    30 S   HC   HA32    28     1.09558   107.95832    52.33019
   33    29 S   CT   _C10    36     1.86874   100.65273  -164.23157
   34    33 S   HC   _H3_    37     1.08962   104.07228    28.43355
   35    30 S   CO3  _C3_    29     1.52948   114.10419   174.32197
   36    35 S   O2Z  _O31    30     1.26374   116.07785    -0.32082
   37    35 S   O2Z  _O32    31     1.26431   114.40710   179.73166
   38    33 S   CT   _C11    38     1.56850   110.79383   144.78799
   39    38 S   HC   _H4_    39     1.08766   107.18871   161.69814
   40    33 S   CT   _C9_    56     1.58561   110.56579   -86.94021
   41    38 S   CT   _C12    40     1.58484   118.58376   -78.54232
   42    41 S   HC   _H5_    41     1.10050   103.73638  -173.43168
   43    40 S   CT   _C22    57     1.54309   113.17259   -56.24958
   44    43 S   HC   _H30    58     1.09379   112.44040    59.58502
   45    43 S   HC   _H31    59     1.09292   111.98629   -63.59058
   46    43 S   HC   _H32    60     1.09717   110.58058   176.55753
   47    40 S   OH   _O37    61     1.43946   107.33287    61.64722
   48    47 S   HO   _H33    62     0.97249   108.33114  -175.72071
   49    38 S   OS   _O35    84     1.45537   109.11949    47.88103
   50    41 S   CT   _C13    42     1.57242   115.80850   -59.72074
   51    50 S   HC   _H6_    43     1.09450   109.04505    62.38600
   52    41 S   CT   _C17    74     1.57611   112.67747    74.97635
   53    52 S   HC   _H20    75     1.09508   108.55280    17.73482
   54    49 S   CO4  _C20    85     1.36220   118.50578   148.44569
   55    54 S   O    _O36    86     1.22294   126.53148    -0.89678
   56    50 S   CT   _C14    44     1.55613   115.43179   -63.49793
   57    56 S   HC   _H15    45     1.09914   107.10263   -55.39896
   58    56 S   HC   _H16    46     1.09798   110.11244  -168.12360
   59    50 S   OS   _O33    67     1.45628   107.72565   179.82417
   60    52 S   CT   _C18    76     1.53739   111.52916   132.40391
   61    60 S   HC   _H21    77     1.09349   112.20590    63.42555
   62    60 S   HC   _H22    78     1.09533   110.71860   -57.43312
   63    60 S   HC   _H23    79     1.09563   110.52526  -176.31570
   64    52 S   CT   _C19    80     1.53275   115.57342  -102.23542
   65    64 S   HC   _H24    81     1.09331   112.28809   -81.99584
   66    64 S   HC   _H25    82     1.09614   109.88729   159.65397
   67    64 S   HC   _H26    83     1.09121   112.38666    39.84728
   68    54 S   CT   _C21    87     1.49814   109.37111   179.13679
   69    68 S   HC   _H27    88     1.09294   109.79199   -61.08084
   70    68 S   HC   _H28    89     1.09374   109.37117   179.86730
   71    68 S   HC   _H29    90     1.09293   109.82243    60.80588
   72    56 S   CM   _C5_    47     1.50824   117.43377    68.20637
   73    59 S   CO4  _C15    68     1.36376   117.77646  -152.11529
   74    73 S   O    _O34    69     1.22301   126.39973     0.15451
   75    72 S   CM   _C6_    48     1.34581   120.49670    42.76066
   76    75 S   HC   _H10    49     1.08772   118.94087     9.07305
   77    72 S   CT   _C4_    63     1.50518   114.91429  -132.97457
   78    77 S   HC   _H7_    64     1.09535   109.78164   -58.36462
   79    77 S   HC   _H8_    65     1.09298   113.15748  -177.80313
   80    77 S   HC   _H9_    66     1.09456   110.56583    61.05587
   81    73 S   CT   _C16    70     1.49827   109.44982  -179.88131
   82    81 S   HC   _H17    71     1.09293   109.83243   -60.67500
   83    81 S   HC   _H18    72     1.09375   109.36242  -179.71469
   84    81 S   HC   _H19    73     1.09286   109.81623    61.21427
   85    75 S   CT   _C7_    50     1.49502   126.11610  -161.66832
   86    85 S   HC   _H11    51     1.09644   108.93934  -171.69750
   87    85 S   HC   _H12    52     1.09633   109.84610   -56.45352
   88    85 S   CT   _C8_    53     1.54204   112.72594    66.23439
   89    88 S   HC   _H13    54     1.10003   105.03075  -172.70494
   90    88 S   HC   _H14    55     1.09571   110.42541   -59.90559
  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  10   5   4   3
  20   8   2   1   1  19   7  15  21   9   9   4   3   2   5   1
   8  15   7  11   8   5   4  12   5   4   7   7   3   2   1   3
   2   1   1   3   2   1   1  10   5   4  11   5   4   2   1   1
   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    88    40    43    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    85    88    89    90    40    43    44    45    46    47    48    52    49    54  
   38    39    41    88    40    43    47    49  
   36    37  
   37  
    0  
   39    41    42    50    51    56    88    40    43    47    59    52    53    60    64    49    54    55    68  
   41    42    50    40    52    49    54  
   43    44    45    46    47    48    49    41    75    85    86    87    88    89    90  
   42    50    51    56    57    58    72    59    73    52    53    60    61    62    63    64    65    66    67    49    54  
   50    51    56    59    52    53    60    64    49  
   44    45    46    47    48    85    88    89    90  
   45    46    47    88  
   46    47    88  
   47    88  
   48    85    88    89    90  
   88  
   54    55    68    69    70    71    50    52  
   51    56    57    58    72    75    77    59    73    74    81    52    53    60    64  
   56    57    58    72    59    73    52  
   53    60    61    62    63    64    65    66    67    56    59  
   60    61    62    63    64    65    66    67  
   55    68    69    70    71  
   68    69    70    71  
   57    58    72    75    76    85    77    78    79    80    59    73  
   58    72    75    77    59  
   72    75    77    59  
   73    74    81    82    83    84    72  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   75    76    85    86    87    88    77    78    79    80  
   74    81    82    83    84  
   81    82    83    84  
   76    85    86    87    88    89    90    77    78    79    80  
   85    86    87    88    77  
   78    79    80    85  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    49   320.000  1.410
   41    42   340.000  1.090
   41    50   268.000  1.529
   41    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    72   317.000  1.510
   72    75   549.000  1.340
   72    77   317.000  1.510
   75    76   340.000  1.080
   75    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   59    73   214.000  1.327
   73    74   570.000  1.229
   73    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   52    53   340.000  1.090
   52    60   268.000  1.529
   52    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   49    54   214.000  1.327
   54    55   570.000  1.229
   54    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    49    50.00000  109.50000
   33    40    88    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    50    58.35000  112.70000
   38    41    52    58.35000  112.70000
   38    49    54    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    56    58.35000  112.70000
   41    50    59    50.00000  109.50000
   41    52    53    37.50000  110.70000
   41    52    60    58.35000  112.70000
   41    52    64    58.35000  112.70000
   50    41    42    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    72    70.00000  112.02700
   50    59    73    83.00000  116.90000
   56    50    51    37.50000  110.70000
   56    72    75    70.00000  124.00000
   56    72    77    65.00000  117.92700
   58    56    57    33.00000  107.80000
   72    56    57    35.00000  109.50000
   72    56    58    35.00000  109.50000
   72    75    76    35.00000  120.00000
   72    75    85    70.00000  124.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    85    86    35.00000  109.50000
   75    85    87    35.00000  109.50000
   75    85    88    70.00000  112.02700
   85    75    76    35.00000  117.00000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    40    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    40    43    58.35000  112.70000
   88    40    47    50.00000  109.50000
   90    88    89    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    88    89    37.50000  110.70000
   40    88    90    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   77    72    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   59    73    74    83.00000  123.40000
   59    73    81    81.00000  111.40000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   81    73    74    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   52    41    42    37.50000  110.70000
   52    41    50    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   52    64    65    37.50000  110.70000
   52    64    66    37.50000  110.70000
   52    64    67    37.50000  110.70000
   60    52    53    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    52    53    37.50000  110.70000
   64    52    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   49    38    39    35.00000  109.50000
   49    38    41    50.00000  109.50000
   49    54    55    83.00000  123.40000
   49    54    68    81.00000  111.40000
   54    68    69    35.00000  109.50000
   54    68    70    35.00000  109.50000
   54    68    71    35.00000  109.50000
   68    54    55    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    49   0.56750  1.0 1.0
   29    33    38    49  -0.07550 -1.0 2.0
   29    33    38    49   0.20000  1.0 3.0
   29    33    40    88   0.44750  1.0 1.0
   29    33    40    88  -0.17800 -1.0 2.0
   29    33    40    88   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    41    52   0.56750  1.0 1.0
   33    38    41    52  -0.07550 -1.0 2.0
   33    38    41    52   0.20000  1.0 3.0
   33    38    49    54  -0.25900  1.0 1.0
   33    38    49    54  -0.47000 -1.0 2.0
   33    38    49    54   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    49   0.23400  1.0 3.0
   34    33    40    88   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    88   0.56750  1.0 1.0
   38    33    40    88  -0.07550 -1.0 2.0
   38    33    40    88   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    56   0.56750  1.0 1.0
   38    41    50    56  -0.07550 -1.0 2.0
   38    41    50    56   0.20000  1.0 3.0
   38    41    50    59   0.62750  1.0 1.0
   38    41    50    59  -0.30950 -1.0 2.0
   38    41    50    59   0.27300  1.0 3.0
   38    41    52    53   0.15000  1.0 3.0
   38    41    52    60   0.56750  1.0 1.0
   38    41    52    60  -0.07550 -1.0 2.0
   38    41    52    60   0.20000  1.0 3.0
   38    41    52    64   0.56750  1.0 1.0
   38    41    52    64  -0.07550 -1.0 2.0
   38    41    52    64   0.20000  1.0 3.0
   38    49    54    55   3.00000 -1.0 2.0
   38    49    54    68   1.63150  1.0 1.0
   38    49    54    68   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    41    52   0.15000  1.0 3.0
   39    38    49    54   0.08050  1.0 3.0
   41    38    49    54  -0.25900  1.0 1.0
   41    38    49    54  -0.47000 -1.0 2.0
   41    38    49    54   0.11750  1.0 3.0
   41    50    56    57   0.15000  1.0 3.0
   41    50    56    58   0.15000  1.0 3.0
   41    50    56    72   0.34400  1.0 1.0
   41    50    56    72   0.09450 -1.0 2.0
   41    50    56    72   0.11100  1.0 3.0
   41    50    59    73  -0.25900  1.0 1.0
   41    50    59    73  -0.47000 -1.0 2.0
   41    50    59    73   0.11750  1.0 3.0
   41    52    60    61   0.15000  1.0 3.0
   41    52    60    62   0.15000  1.0 3.0
   41    52    60    63   0.15000  1.0 3.0
   41    52    64    65   0.15000  1.0 3.0
   41    52    64    66   0.15000  1.0 3.0
   41    52    64    67   0.15000  1.0 3.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    56   0.15000  1.0 3.0
   42    41    50    59   0.23400  1.0 3.0
   42    41    52    53   0.15000  1.0 3.0
   42    41    52    60   0.15000  1.0 3.0
   42    41    52    64   0.15000  1.0 3.0
   50    41    52    53   0.15000  1.0 3.0
   50    41    52    60   0.56750  1.0 1.0
   50    41    52    60  -0.07550 -1.0 2.0
   50    41    52    60   0.20000  1.0 3.0
   50    41    52    64   0.56750  1.0 1.0
   50    41    52    64  -0.07550 -1.0 2.0
   50    41    52    64   0.20000  1.0 3.0
   50    56    72    75   0.09850  1.0 1.0
   50    56    72    75   0.15250 -1.0 2.0
   50    56    72    75  -0.50650  1.0 3.0
   50    56    72    77   0.46850  1.0 1.0
   50    56    72    77   0.08550 -1.0 2.0
   50    56    72    77   0.09800  1.0 3.0
   50    59    73    74   3.00000 -1.0 2.0
   50    59    73    81   1.63150  1.0 1.0
   50    59    73    81   2.92000 -1.0 2.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    72   0.15000  1.0 3.0
   51    50    59    73   0.08050  1.0 3.0
   56    50    59    73  -0.25900  1.0 1.0
   56    50    59    73  -0.47000 -1.0 2.0
   56    50    59    73   0.11750  1.0 3.0
   56    72    75    76   7.00000 -1.0 2.0
   56    72    75    85   7.00000 -1.0 2.0
   56    72    77    78   0.34800  1.0 3.0
   56    72    77    79   0.34800  1.0 3.0
   56    72    77    80   0.34800  1.0 3.0
   57    56    72    75   0.00000  1.0 1.0
   57    56    72    77   0.34800  1.0 3.0
   58    56    72    75   0.00000  1.0 1.0
   58    56    72    77   0.34800  1.0 3.0
   72    75    85    86   0.00000  1.0 1.0
   72    75    85    87   0.00000  1.0 1.0
   72    75    85    88   0.09850  1.0 1.0
   72    75    85    88   0.15250 -1.0 2.0
   72    75    85    88  -0.50650  1.0 3.0
   75    72    77    78   0.00000  1.0 1.0
   75    72    77    79   0.00000  1.0 1.0
   75    72    77    80   0.00000  1.0 1.0
   75    85    88    89   0.15000  1.0 3.0
   75    85    88    90   0.15000  1.0 3.0
   75    85    88    40   0.34400  1.0 1.0
   75    85    88    40   0.09450 -1.0 2.0
   75    85    88    40   0.11100  1.0 3.0
   76    75    85    86   0.33100  1.0 3.0
   76    75    85    87   0.33100  1.0 3.0
   76    75    85    88   0.00000  1.0 1.0
   85    88    40    33   0.56750  1.0 1.0
   85    88    40    33  -0.07550 -1.0 2.0
   85    88    40    33   0.20000  1.0 3.0
   85    88    40    43   0.56750  1.0 1.0
   85    88    40    43  -0.07550 -1.0 2.0
   85    88    40    43   0.20000  1.0 3.0
   85    88    40    47   0.86500  1.0 1.0
   85    88    40    47  -0.17500 -1.0 2.0
   85    88    40    47   0.20800  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    40   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    40   0.15000  1.0 3.0
   88    40    43    44   0.15000  1.0 3.0
   88    40    43    45   0.15000  1.0 3.0
   88    40    43    46   0.15000  1.0 3.0
   88    40    47    48  -0.11600  1.0 1.0
   88    40    47    48  -0.09450 -1.0 2.0
   88    40    47    48   0.21250  1.0 3.0
   89    88    40    33   0.15000  1.0 3.0
   89    88    40    43   0.15000  1.0 3.0
   89    88    40    47   0.23400  1.0 3.0
   90    88    40    33   0.15000  1.0 3.0
   90    88    40    43   0.15000  1.0 3.0
   90    88    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    49   0.62750  1.0 1.0
   40    33    38    49  -0.30950 -1.0 2.0
   40    33    38    49   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   77    72    75    76   7.00000 -1.0 2.0
   77    72    75    85   7.00000 -1.0 2.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    72   0.61850  1.0 1.0
   59    50    56    72  -0.22750 -1.0 2.0
   59    50    56    72   0.15300  1.0 3.0
   59    73    81    82   0.00000  1.0 1.0
   59    73    81    83   0.00000  1.0 1.0
   59    73    81    84   0.00000  1.0 1.0
   74    73    81    82   0.00000  1.0 1.0
   74    73    81    83   0.00000  1.0 1.0
   74    73    81    84   0.00000  1.0 1.0
   52    41    50    51   0.15000  1.0 3.0
   52    41    50    56   0.56750  1.0 1.0
   52    41    50    56  -0.07550 -1.0 2.0
   52    41    50    56   0.20000  1.0 3.0
   52    41    50    59   0.62750  1.0 1.0
   52    41    50    59  -0.30950 -1.0 2.0
   52    41    50    59   0.27300  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    66   0.15000  1.0 3.0
   53    52    64    67   0.15000  1.0 3.0
   60    52    64    65   0.15000  1.0 3.0
   60    52    64    66   0.15000  1.0 3.0
   60    52    64    67   0.15000  1.0 3.0
   64    52    60    61   0.15000  1.0 3.0
   64    52    60    62   0.15000  1.0 3.0
   64    52    60    63   0.15000  1.0 3.0
   49    38    41    42   0.23400  1.0 3.0
   49    38    41    50   0.62750  1.0 1.0
   49    38    41    50  -0.30950 -1.0 2.0
   49    38    41    50   0.27300  1.0 3.0
   49    38    41    52   0.62750  1.0 1.0
   49    38    41    52  -0.30950 -1.0 2.0
   49    38    41    52   0.27300  1.0 3.0
   49    54    68    69   0.00000  1.0 1.0
   49    54    68    70   0.00000  1.0 1.0
   49    54    68    71   0.00000  1.0 1.0
   55    54    68    69   0.00000  1.0 1.0
   55    54    68    70   0.00000  1.0 1.0
   55    54    68    71   0.00000  1.0 1.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   56    77    72    75   1.10000 -1.0 2.0
   85    76    75    72   1.10000 -1.0 2.0
   59    81    73    74  10.50000 -1.0 2.0
   49    68    54    55  10.50000 -1.0 2.0
END
