* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    251     487
    1     0 S   NP   _N1_     1    29.82020    98.47535   -18.68197
    2     1 S   H    _HN1     2     1.02831    62.33347   138.81630
    3     1 S   H    _H1_     3     1.02766    82.75124  -106.48327
    4     1 S   H    _H2_     4     1.02942    62.46903     8.81379
    5     1 S   CT   _CA1     5     1.50179   164.91577    73.70589
    6     5 S   HC   _HA1     6     1.09529   105.20557   118.85302
    7     5 S   CO3  _C1_     7     1.54023   112.62435    -1.59520
    8     7 S   O2Z  _O11     8     1.26423   114.94543   -27.07957
    9     7 S   O2Z  _O12     9     1.26235   115.35698   152.53431
   10     5 S   CT   _CB1    10     1.53154   107.54382  -122.16069
   11    10 S   HC   HB11    11     1.09817   110.41013   -36.51285
   12    10 S   HC   HB12    12     1.09812   110.01592    80.37907
   13    10 S   CT   _CG1    13     1.53002   112.37361  -157.06813
   14    13 S   HC   HG11    14     1.09394   110.87802   -53.81701
   15    13 S   HC   HG12    15     1.09619   109.69244    65.26985
   16    13 S   C    _CD1    16     1.51680   112.32608  -173.90471
   17    16 S   O    _OE1    17     1.22761   123.15011     2.12311
   18    16 S   N    _N2_    18     1.38571   111.71472  -178.85022
   19    18 S   H    _HN2    19     1.02011   119.01228     5.26585
   20    18 S   CT1  _CA2    20     1.46015   123.22883  -176.50206
   21    20 S   HC   _HA2    21     1.09744   109.13898   -13.23109
   22    20 S   C    _C2_    22     1.53467   109.19955  -128.87642
   23    22 S   O    _O2_    23     1.23070   122.04819  -150.68959
   24    20 S   CT   _CB2    32     1.53422   111.51983   108.43533
   25    24 S   HC   HB21    33     1.09548   110.07771    58.35383
   26    24 S   HC   HB22    34     1.09532   110.32015   176.19255
   27    22 S   N    _N3_    24     1.38423   113.59025    37.20662
   28    27 S   H    _HN3    25     1.01518   118.88187    -3.34948
   29    24 S   S    _SG2    35     1.83146   112.07467   -65.16610
   30    27 S   CT   _CA3    26     1.45398   123.43638   174.80227
   31    30 S   HC   HA31    27     1.09533   109.06577    27.37314
   32    30 S   HC   HA32    28     1.09495   107.16789   144.30374
   33    29 S   CT   _C11    36     1.84600   100.11144   121.20043
   34    33 S   HC   _H4_    37     1.09616   106.31334   -42.39983
   35    30 S   CO3  _C3_    29     1.52938   113.22875   -96.00395
   36    35 S   O2Z  _O31    30     1.26410   115.51158   -44.36936
   37    35 S   O2Z  _O32    31     1.26391   114.98042   136.57624
   38    33 S   CT   _C12    38     1.54025   110.29856    74.84343
   39    38 S   HC   _H5_    39     1.09913   110.54245   -41.08276
   40    33 S   CT   _C10    67     1.54743   108.83341  -159.35866
   41    40 S   HC   _H18    68     1.09692   109.22518  -159.87424
   42    40 S   HC   _H19    69     1.09549   110.00141   -43.39952
   43    38 S   CO4  _C16    40     1.51305   116.75267    80.04648
   44    43 S   O    _O33    41     1.22134   126.10565   -45.79726
   45    40 S   CT   _C9_    70     1.53889   112.62712    80.91601
   46    45 S   HC   _H3_    71     1.09290   110.93261   -48.11777
   47    43 S   CM   _C15    42     1.47036   111.26171   136.95042
   48    47 S   HC   _H21    43     1.07551   125.44442   172.45980
   49    45 S   CT   _C8_    72     1.53399   112.83323  -172.61483
   50    49 S   HC   _H16    73     1.09792   109.12613   -54.53348
   51    49 S   HC   _H17    74     1.09711   109.06794  -168.59057
   52    45 S   OH   _O36    88     1.43127   107.44590    68.46069
   53    52 S   HO   _H32    89     0.97605   107.76470  -176.04374
   54    47 S   CM   _C14    44     1.33431   106.01532    -7.91492
   55    54 S   HC   _H20    45     1.08261   122.58228  -178.70775
   56    49 S   CT   _C7_    75     1.53135   115.52051    68.63104
   57    56 S   HC   _H14    76     1.09736   107.89109  -178.94501
   58    56 S   HC   _H15    77     1.09541   110.37696   -63.28107
   59    38 S   CT   _C13    46     1.54899   112.44630  -162.74985
   60    59 S   HC   _H6_    47     1.09648   110.96524   -24.70556
   61    56 S   CT   _C6_    78     1.53056   113.23059    60.30901
   62    61 S   HC   _H12    79     1.09558   110.09094   -64.88270
   63    61 S   HC   _H13    80     1.09660   109.61393    52.92061
   64    59 S   CT   _C17    48     1.53551   110.69654    97.22010
   65    64 S   HC   _H22    49     1.09794   110.61413    71.02643
   66    64 S   HC   _H23    50     1.09718   109.54552   -44.75555
   67    61 S   CT   _C5_    81     1.52868   111.37329   174.28756
   68    67 S   HC   _H10    82     1.09615   109.91328   -59.25590
   69    67 S   HC   _H11    83     1.09620   109.86146    58.55588
   70    64 S   CM   _C18    51     1.50361   113.59452  -166.84093
   71    70 S   HC   _H24    52     1.08776   116.30962   -96.94209
   72    67 S   CT   _C4_    84     1.52056   111.36432   179.65057
   73    72 S   HC   _H7_    85     1.09476   110.99764   -60.27725
   74    72 S   HC   _H8_    86     1.09473   110.99166    60.20086
   75    72 S   HC   _H9_    87     1.09445   110.26927   179.96044
   76    70 S   CM   _C19    53     1.34331   125.53130    86.10391
   77    76 S   HC   _H25    54     1.08792   118.01899   176.95747
   78    76 S   CT   _C20    55     1.50251   125.88509    -5.69643
   79    78 S   HC   _H26    56     1.09709   108.35234  -145.12559
   80    78 S   HC   _H27    57     1.09489   110.30134   -29.87332
   81    78 S   CT   _C21    58     1.52786   112.77055    93.06832
   82    81 S   HC   _H28    59     1.09743   110.01256    61.16573
   83    81 S   HC   _H29    60     1.09745   109.98825   -55.82824
   84    81 S   CT   _C22    61     1.52552   110.61378  -177.24757
   85    84 S   HC   _H30    62     1.09623   110.70754    50.07946
   86    84 S   HC   _H31    63     1.09585   110.80492   -68.92650
   87    84 S   CO3  _C23    64     1.52533   108.72175   170.19276
   88    87 S   O2Z  _O35    65     1.26377   114.79507  -100.46488
   89    87 S   O2Z  _O34    66     1.26249   115.28259    80.06635
  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
  17   8   2   1   1  17   8  12   5   4   8   4  10   6   6   3
  11   6   5   2   1   7   3   9   5   4   7   4   9   5   4   7
   4   3   6   5   4   7   3   3   2   1   1   8   4   9   5   4
   8   5   4   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    43    59    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    54    59    60    64    40    41    42    45    46    49    52  
   38    39    43    59    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    54    55    59    60    64    65    66    70    40    41    42    45  
   43    44    47    54    59    60    64    40  
   41    42    45    46    49    50    51    56    52    53    43    59  
   42    45    46    49    52  
   45    46    49    52  
   44    47    48    54    55    59    60    64  
   47    48    54    59  
   46    49    50    51    56    57    58    61    52    53  
   49    50    51    56    52    53  
   48    54    55    59    60    64  
   54    55    59  
   50    51    56    57    58    61    62    63    67    52    53  
   51    56    57    58    61    52  
   56    57    58    61    52  
   53    56  
    0  
   55    59    60    64    65    66    70  
   59    60    64  
   57    58    61    62    63    67    68    69    72  
   58    61    62    63    67  
   61    62    63    67  
   60    64    65    66    70    71    76  
   64    65    66    70  
   62    63    67    68    69    72    73    74    75  
   63    67    68    69    72  
   67    68    69    72  
   65    66    70    71    76    77    78  
   66    70    71    76  
   70    71    76  
   68    69    72    73    74    75  
   69    72    73    74    75  
   72    73    74    75  
   71    76    77    78    79    80    81  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    43   317.000  1.522
   38    59   268.000  1.529
   43    44   570.000  1.229
   43    47   320.000  1.462
   47    48   340.000  1.080
   47    54   549.000  1.340
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.510
   70    71   340.000  1.080
   70    76   549.000  1.340
   76    77   340.000  1.080
   76    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   52    53   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    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    43    63.00000  111.10000
   33    38    59    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    47    65.00000  118.62400
   38    59    54    70.00000  112.02700
   38    59    60    37.50000  110.70000
   38    59    64    58.35000  112.70000
   43    38    39    35.00000  109.50000
   43    47    48    40.00000  117.72500
   43    47    54    65.00000  118.96000
   47    43    44    80.00000  123.72100
   47    54    55    35.00000  120.00000
   47    54    59    70.00000  124.00000
   54    47    48    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    64    70.00000  112.02700
   59    38    39    37.50000  110.70000
   59    38    43    63.00000  111.10000
   59    54    55    35.00000  117.00000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    70    70.00000  112.02700
   64    59    60    37.50000  110.70000
   64    70    71    35.00000  117.00000
   64    70    76    70.00000  124.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    76    77    35.00000  120.00000
   70    76    78    70.00000  124.00000
   76    70    71    35.00000  120.00000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    70.00000  112.02700
   78    76    77    35.00000  117.00000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    49    58.35000  112.70000
   40    45    52    50.00000  109.50000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    56    58.35000  112.70000
   45    52    53    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    49    50.00000  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    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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    59   0.44750  1.0 1.0
   29    33    38    59  -0.17800 -1.0 2.0
   29    33    38    59   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.65300  1.0 1.0
   33    38    43    47  -0.03850 -1.0 2.0
   33    38    43    47   0.33900  1.0 3.0
   33    38    59    54   0.34400  1.0 1.0
   33    38    59    54   0.09450 -1.0 2.0
   33    38    59    54   0.11100  1.0 3.0
   33    38    59    60   0.15000  1.0 3.0
   33    38    59    64   0.56750  1.0 1.0
   33    38    59    64  -0.07550 -1.0 2.0
   33    38    59    64   0.20000  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    49   0.56750  1.0 1.0
   33    40    45    49  -0.07550 -1.0 2.0
   33    40    45    49   0.20000  1.0 3.0
   33    40    45    52   0.86500  1.0 1.0
   33    40    45    52  -0.17500 -1.0 2.0
   33    40    45    52   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    38    59   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.56750  1.0 1.0
   38    33    40    45  -0.07550 -1.0 2.0
   38    33    40    45   0.20000  1.0 3.0
   38    43    47    48   0.04550  1.0 1.0
   38    43    47    48   0.83000 -1.0 2.0
   38    43    47    48  -0.04000  1.0 3.0
   38    43   -47    54  -0.33500  1.0 1.0
   38    43   -47    54   1.06600 -1.0 2.0
   38    43   -47    54  -0.14000  1.0 3.0
   38    59    64    65   0.15000  1.0 3.0
   38    59    64    66   0.15000  1.0 3.0
   38    59    64    70   0.34400  1.0 1.0
   38    59    64    70   0.09450 -1.0 2.0
   38    59    64    70   0.11100  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   39    38    59    54   0.15000  1.0 3.0
   39    38    59    60   0.15000  1.0 3.0
   39    38    59    64   0.15000  1.0 3.0
   43    38   -59    54  -0.98800  1.0 1.0
   43    38   -59    54   0.48800 -1.0 2.0
   43    38   -59    54   0.76800  1.0 3.0
   43    38    59    60  -0.11250  1.0 3.0
   43    38    59    64  -0.95700  1.0 1.0
   43    38    59    64  -0.18200 -1.0 2.0
   43    38    59    64   0.29450  1.0 3.0
   43    47    54    55   7.00000 -1.0 2.0
   43    47   -54    59   7.00000 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    54   1.00000 -1.0 2.0
   47    54   -59    38   0.09850  1.0 1.0
   47    54   -59    38   0.15250 -1.0 2.0
   47    54   -59    38  -0.50650  1.0 3.0
   47    54    59    60   0.00000  1.0 1.0
   47    54    59    64   0.09850  1.0 1.0
   47    54    59    64   0.15250 -1.0 2.0
   47    54    59    64  -0.50650  1.0 3.0
   48    47    54    55   7.00000 -1.0 2.0
   48    47    54    59   7.00000 -1.0 2.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   54    59    64    70   0.31000  1.0 1.0
   54    59    64    70   0.14700 -1.0 2.0
   54    59    64    70   0.07550  1.0 3.0
   55    54    59    38   0.00000  1.0 1.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    64   0.00000  1.0 1.0
   59    38    43    44   0.30150 -1.0 2.0
   59    38   -43    47   0.65300  1.0 1.0
   59    38   -43    47  -0.03850 -1.0 2.0
   59    38   -43    47   0.33900  1.0 3.0
   59    64    70    71   0.00000  1.0 1.0
   59    64    70    76   0.09850  1.0 1.0
   59    64    70    76   0.15250 -1.0 2.0
   59    64    70    76  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    70   0.15000  1.0 3.0
   64    70    76    77   7.00000 -1.0 2.0
   64    70    76    78   7.00000 -1.0 2.0
   65    64    70    71   0.33100  1.0 3.0
   65    64    70    76   0.00000  1.0 1.0
   66    64    70    71   0.33100  1.0 3.0
   66    64    70    76   0.00000  1.0 1.0
   70    76    78    79   0.00000  1.0 1.0
   70    76    78    80   0.00000  1.0 1.0
   70    76    78    81   0.09850  1.0 1.0
   70    76    78    81   0.15250 -1.0 2.0
   70    76    78    81  -0.50650  1.0 3.0
   71    70    76    77   7.00000 -1.0 2.0
   71    70    76    78   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.34400  1.0 1.0
   76    78    81    84   0.09450 -1.0 2.0
   76    78    81    84   0.11100  1.0 3.0
   77    76    78    79   0.33100  1.0 3.0
   77    76    78    80   0.33100  1.0 3.0
   77    76    78    81   0.00000  1.0 1.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87  -1.63150  1.0 1.0
   78    81    84    87  -0.43550 -1.0 2.0
   78    81    84    87   0.24500  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43  -0.95700  1.0 1.0
   40    33    38    43  -0.18200 -1.0 2.0
   40    33    38    43   0.29450  1.0 3.0
   40    33    38    59   0.56750  1.0 1.0
   40    33    38    59  -0.07550 -1.0 2.0
   40    33    38    59   0.20000  1.0 3.0
   40    45    49    50   0.15000  1.0 3.0
   40    45    49    51   0.15000  1.0 3.0
   40    45    49    56   0.56750  1.0 1.0
   40    45    49    56  -0.07550 -1.0 2.0
   40    45    49    56   0.20000  1.0 3.0
   40    45    52    53  -0.11600  1.0 1.0
   40    45    52    53  -0.09450 -1.0 2.0
   40    45    52    53   0.21250  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    49   0.15000  1.0 3.0
   41    40    45    52   0.23400  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    49   0.15000  1.0 3.0
   42    40    45    52   0.23400  1.0 3.0
   45    49    56    57   0.15000  1.0 3.0
   45    49    56    58   0.15000  1.0 3.0
   45    49    56    61   0.56750  1.0 1.0
   45    49    56    61  -0.07550 -1.0 2.0
   45    49    56    61   0.20000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    56   0.15000  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    56    61    62   0.15000  1.0 3.0
   49    56    61    63   0.15000  1.0 3.0
   49    56    61    67   0.56750  1.0 1.0
   49    56    61    67  -0.07550 -1.0 2.0
   49    56    61    67   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    61   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    61   0.15000  1.0 3.0
   56    61    67    68   0.15000  1.0 3.0
   56    61    67    69   0.15000  1.0 3.0
   56    61    67    72   0.56750  1.0 1.0
   56    61    67    72  -0.07550 -1.0 2.0
   56    61    67    72   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    67   0.15000  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67    72    74   0.15000  1.0 3.0
   61    67    72    75   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   63    61    67    72   0.15000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    56   0.86500  1.0 1.0
   52    45    49    56  -0.17500 -1.0 2.0
   52    45    49    56   0.20800  1.0 3.0
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
   38    47    43    44  10.50000 -1.0 2.0
   43    48    47    54   1.10000 -1.0 2.0
   59    55    54    47   1.10000 -1.0 2.0
   64    71    70    76  15.00000 -1.0 2.0
   78    77    76    70  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
