* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    168    249     488
    1     0 S   NP   _N1_     1    28.80855    96.86598   -24.06390
    2     1 S   H    _HN1     2     1.02828    40.15654   172.33914
    3     1 S   H    _H1_     3     1.02786   106.37722   -89.13076
    4     1 S   H    _H2_     4     1.02949    69.70468    14.84752
    5     1 S   CT   _CA1     5     1.50119   138.49025   113.05227
    6     5 S   HC   _HA1     6     1.09574   105.18460    95.58670
    7     5 S   CO3  _C1_     7     1.53784   112.47512   -24.62736
    8     7 S   O2Z  _O11     8     1.26372   115.00494   -42.17478
    9     7 S   O2Z  _O12     9     1.26243   114.94462   136.93454
   10     5 S   CT   _CB1    10     1.53076   107.41659  -146.44001
   11    10 S   HC   HB11    11     1.09834   109.34745   -49.72838
   12    10 S   HC   HB12    12     1.09813   110.45621    66.87382
   13    10 S   CT   _CG1    13     1.52993   112.61764  -170.70663
   14    13 S   HC   HG11    14     1.09581   110.63925   -66.15599
   15    13 S   HC   HG12    15     1.09672   109.77427    53.07683
   16    13 S   C    _CD1    16     1.51805   112.20882   173.51578
   17    16 S   O    _OE1    17     1.22732   123.28139     7.56084
   18    16 S   N    _N2_    18     1.38659   111.68501  -172.48608
   19    18 S   H    _HN2    19     1.01575   118.92151     1.62895
   20    18 S   CT1  _CA2    20     1.46199   123.39066   177.22286
   21    20 S   HC   _HA2    21     1.09736   109.36700     3.51240
   22    20 S   C    _C2_    22     1.53576   108.57725  -111.96902
   23    22 S   O    _O2_    23     1.23061   122.27994  -147.57678
   24    20 S   CT   _CB2    32     1.53355   111.63211   125.55151
   25    24 S   HC   HB21    33     1.09587   110.04003    56.19425
   26    24 S   HC   HB22    34     1.09408   109.97676   175.18094
   27    22 S   N    _N3_    24     1.38329   113.72340    39.83705
   28    27 S   H    _HN3    25     1.01579   119.59865    -3.23259
   29    24 S   S    _SG2    35     1.82817   111.50775   -64.60830
   30    27 S   CT   _CA3    26     1.45288   123.22551   177.17105
   31    30 S   HC   HA31    27     1.09549   107.50076   -64.82992
   32    30 S   HC   HA32    28     1.09557   107.99768    51.61374
   33    29 S   CT   _C12    36     1.84629    99.79900   175.51319
   34    33 S   HC   _H5_    37     1.09673   106.04784   -38.05409
   35    30 S   CO3  _C3_    29     1.52965   114.07297   173.61810
   36    35 S   O2Z  _O31    30     1.26377   116.06977    -0.70053
   37    35 S   O2Z  _O32    31     1.26428   114.41307   179.35928
   38    33 S   CT   _C11    38     1.54058   109.28848    79.48355
   39    38 S   HC   _H18    39     1.09621   111.11554    61.61691
   40    38 S   HC   _H19    40     1.09689   109.87319   -55.49784
   41    33 S   CT   _C13    62     1.55160   111.16992  -153.88533
   42    41 S   HC   _H6_    63     1.09556   108.58836   177.75633
   43    38 S   C3T  _C10    41     1.49898   112.30227  -176.56157
   44    43 S   HC   _H4_    42     1.08134   113.95741   -80.92468
   45    41 S   CT   _C14    64     1.53690   115.73603   -60.39524
   46    45 S   HC   _H20    65     1.09609   110.30464    66.59897
   47    45 S   HC   _H21    66     1.09497   110.22546   -52.34793
   48    41 S   OH   _O36    88     1.43174   109.58346    62.91391
   49    48 S   HO   _H34    89     0.97226   107.76072    56.00710
   50    43 S   C3T  _C9_    43     1.50747   120.66150    72.73440
   51    50 S   HC   _H3_    44     1.08152   119.62101    -4.13057
   52    45 S   CT   _C15    67     1.53494   111.78526  -173.42377
   53    52 S   HC   _H22    68     1.09642   109.95440   -60.15821
   54    52 S   HC   _H23    69     1.09682   109.49065    57.38461
   55    43 S   O3T  _O33    45     1.43478   114.86694   139.23248
   56    50 S   CT   _C8_    46     1.49538   120.96604  -156.01971
   57    56 S   HC   _H16    47     1.09715   110.13694   -49.62237
   58    56 S   HC   _H17    48     1.09625   109.05335  -166.24116
   59    52 S   CT   _C16    70     1.53012   111.25884   178.53941
   60    59 S   HC   _H24    71     1.09680   109.57557   -58.57571
   61    59 S   HC   _H25    72     1.09679   109.56178    58.72473
   62    56 S   CT   _C7_    49     1.53083   112.63538    71.53923
   63    62 S   HC   _H14    50     1.09646   109.62771   -60.20270
   64    62 S   HC   _H15    51     1.09698   108.40719  -176.33200
   65    59 S   CT   _C17    73     1.52956   111.31901  -179.91844
   66    65 S   HC   _H26    74     1.09681   109.56611    58.65216
   67    65 S   HC   _H27    75     1.09681   109.56682   -58.63502
   68    62 S   CT   _C6_    52     1.53090   113.27363    62.41082
   69    68 S   HC   _H12    53     1.09663   109.57829    57.93920
   70    68 S   HC   _H13    54     1.09569   110.13236   -59.74699
   71    65 S   CT   _C18    76     1.52960   111.32844  -179.98022
   72    71 S   HC   _H28    77     1.09682   109.55806    58.62368
   73    71 S   HC   _H29    78     1.09681   109.55983   -58.66318
   74    68 S   CT   _C5_    55     1.52888   111.18582   179.39834
   75    74 S   HC   _H10    56     1.09614   109.89245   -59.75938
   76    74 S   HC   _H11    57     1.09638   109.83352    58.02118
   77    71 S   CT   _C19    79     1.52969   111.32984   179.96574
   78    77 S   HC   _H30    80     1.09703   109.54247   -58.46483
   79    77 S   HC   _H31    81     1.09702   109.54269    58.47484
   80    74 S   CT   _C4_    58     1.52029   111.45750   179.01048
   81    80 S   HC   _H7_    59     1.09479   110.97341   -60.38797
   82    80 S   HC   _H8_    60     1.09465   111.00773    60.13355
   83    80 S   HC   _H9_    61     1.09447   110.26286   179.90721
   84    77 S   CT   _C20    82     1.52539   111.41425  -180.00000
   85    84 S   HC   _H32    83     1.09714   109.44568   -58.67463
   86    84 S   HC   _H33    84     1.09714   109.44530    58.63232
   87    84 S   CO3  _C21    85     1.53215   115.25290   179.98022
   88    87 S   O2Z  _O35    86     1.26528   114.02524  -179.95154
   89    87 S   O2Z  _O34    87     1.26134   116.68023     0.05234
  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
  16   8   2   1   1  12   6   5  11   6   8   4  11   6   5   2
   1   9   5   9   5   4   4   9   5   4   9   5   4   9   5   4
   9   5   4   9   5   4   9   5   4   6   5   4   8   5   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    50    55    41    42    45    46    47    52    48    49  
   38    39    40    43    41    42    45    48  
   36    37  
   37  
    0  
   39    40    43    44    50    51    55    56    41    42    45    48  
   40    43    44    50    55    41  
   43    44    50    55    41  
   42    45    46    47    52    53    54    59    48    49    43  
   45    46    47    52    48    49  
   44    50    51    55    56    57    58    62  
   50    51    55    56  
   46    47    52    53    54    59    60    61    65    48    49  
   47    52    53    54    59    48  
   52    53    54    59    48  
   49    52  
    0  
   51    55    56    57    58    62    63    64    68  
   55    56    57    58    62  
   53    54    59    60    61    65    66    67    71  
   54    59    60    61    65  
   59    60    61    65  
   56    57    58    62  
   57    58    62    63    64    68    69    70    74  
   58    62    63    64    68  
   62    63    64    68  
   60    61    65    66    67    71    72    73    77  
   61    65    66    67    71  
   65    66    67    71  
   63    64    68    69    70    74    75    76    80  
   64    68    69    70    74  
   68    69    70    74  
   66    67    71    72    73    77    78    79    84  
   67    71    72    73    77  
   71    72    73    77  
   69    70    74    75    76    80    81    82    83  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79    84    85    86    87  
   73    77    78    79    84  
   77    78    79    84  
   75    76    80    81    82    83  
   76    80    81    82    83  
   80    81    82    83  
   78    79    84    85    86    87    88    89  
   79    84    85    86    87  
   84    85    86    87  
   81    82    83  
   82    83  
   83  
    0  
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   275.000  1.510
   43    44   340.000  1.088
   43    50   260.000  1.509
   43    55   335.000  1.432
   50    51   340.000  1.088
   50    55   335.000  1.432
   50    56   275.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    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
   48    49   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.37300
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    40.00000  115.04500
   38    43    50    60.00000  120.94000
   38    43    55    80.00000  116.47100
   40    38    39    33.00000  107.80000
   43    38    39    45.00000  109.38400
   43    38    40    45.00000  109.38400
   43    50    51    37.50000  117.20000
   43    50    55    15.00000   60.43100
   43    50    56    60.00000  120.94000
   43    55    50    15.00000   59.14900
   50    43    44    37.50000  117.20000
   50    56    57    45.00000  109.38400
   50    56    58    45.00000  109.38400
   50    56    62    70.00000  112.37300
   55    43    44    50.00000  114.27700
   55    43    50    15.00000   60.43100
   55    50    51    50.00000  114.27700
   56    50    51    40.00000  115.04500
   56    50    55    80.00000  116.47100
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    58.35000  112.70000
   41    48    49    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    59    58.35000  112.70000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    65    58.35000  112.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    77    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    84    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    84    85    37.50000  110.70000
   77    84    86    37.50000  110.70000
   77    84    87    70.00000  109.69300
   79    77    78    33.00000  107.80000
   84    77    78    37.50000  110.70000
   84    77    79    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
   48    41    42    35.00000  109.50000
   48    41    45    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    50   0.07850  1.0 1.0
   33    38    43    50  -0.03950 -1.0 2.0
   33    38    43    50   0.67350  1.0 3.0
   33    38    43    55   0.02550  1.0 1.0
   33    38    43    55  -0.02600 -1.0 2.0
   33    38    43    55   1.20400  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    52   0.56750  1.0 1.0
   33    41    45    52  -0.07550 -1.0 2.0
   33    41    45    52   0.20000  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43   -50    55   0.02550  1.0 1.0
   38    43   -50    55  -0.02600 -1.0 2.0
   38    43   -50    55   1.20400  1.0 3.0
   38    43    50    56   0.56750  1.0 1.0
   38    43    50    56  -0.07550 -1.0 2.0
   38    43    50    56   0.20000  1.0 3.0
   38    43   -55    50   0.06250  1.0 1.0
   38    43   -55    50  -0.01100 -1.0 2.0
   38    43   -55    50   0.28050  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   39    38    43    55   0.23400  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   40    38    43    55   0.23400  1.0 3.0
   43    50    56    57   0.15000  1.0 3.0
   43    50    56    58   0.15000  1.0 3.0
   43    50    56    62   0.07850  1.0 1.0
   43    50    56    62  -0.03950 -1.0 2.0
   43    50    56    62   0.67350  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43   -50    55   0.23400  1.0 3.0
   44    43    50    56   0.15000  1.0 3.0
   44    43   -55    50   0.36800  1.0 3.0
   50    56    62    63   0.15000  1.0 3.0
   50    56    62    64   0.15000  1.0 3.0
   50    56    62    68   0.47050  1.0 1.0
   50    56    62    68   0.03900 -1.0 2.0
   50    56    62    68   0.20100  1.0 3.0
   51    50   -55    43   0.36800  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    62   0.15000  1.0 3.0
   55    43   -50    51   0.23400  1.0 3.0
   55    43   -50    56   0.02550  1.0 1.0
   55    43   -50    56  -0.02600 -1.0 2.0
   55    43   -50    56   1.20400  1.0 3.0
   55    50    56    57   0.23400  1.0 3.0
   55    50    56    58   0.23400  1.0 3.0
   55    50    56    62   0.02550  1.0 1.0
   55    50    56    62  -0.02600 -1.0 2.0
   55    50    56    62   1.20400  1.0 3.0
   56    50   -55    43   0.06250  1.0 1.0
   56    50   -55    43  -0.01100 -1.0 2.0
   56    50   -55    43   0.28050  1.0 3.0
   56    62    68    69   0.15000  1.0 3.0
   56    62    68    70   0.15000  1.0 3.0
   56    62    68    74   0.56750  1.0 1.0
   56    62    68    74  -0.07550 -1.0 2.0
   56    62    68    74   0.20000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    68   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    68   0.15000  1.0 3.0
   62    68    74    75   0.15000  1.0 3.0
   62    68    74    76   0.15000  1.0 3.0
   62    68    74    80   0.56750  1.0 1.0
   62    68    74    80  -0.07550 -1.0 2.0
   62    68    74    80   0.20000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    74   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    74   0.15000  1.0 3.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    83   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80   0.15000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    83   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.47050  1.0 1.0
   41    33    38    43   0.03900 -1.0 2.0
   41    33    38    43   0.20100  1.0 3.0
   41    45    52    53   0.15000  1.0 3.0
   41    45    52    54   0.15000  1.0 3.0
   41    45    52    59   0.56750  1.0 1.0
   41    45    52    59  -0.07550 -1.0 2.0
   41    45    52    59   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    52   0.15000  1.0 3.0
   42    41    48    49   0.19450  1.0 3.0
   45    41    48    49  -0.11600  1.0 1.0
   45    41    48    49  -0.09450 -1.0 2.0
   45    41    48    49   0.21250  1.0 3.0
   45    52    59    60   0.15000  1.0 3.0
   45    52    59    61   0.15000  1.0 3.0
   45    52    59    65   0.56750  1.0 1.0
   45    52    59    65  -0.07550 -1.0 2.0
   45    52    59    65   0.20000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    59   0.15000  1.0 3.0
   47    45    52    53   0.15000  1.0 3.0
   47    45    52    54   0.15000  1.0 3.0
   47    45    52    59   0.15000  1.0 3.0
   52    59    65    66   0.15000  1.0 3.0
   52    59    65    67   0.15000  1.0 3.0
   52    59    65    71   0.56750  1.0 1.0
   52    59    65    71  -0.07550 -1.0 2.0
   52    59    65    71   0.20000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    65   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    65   0.15000  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    77   0.56750  1.0 1.0
   59    65    71    77  -0.07550 -1.0 2.0
   59    65    71    77   0.20000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    71   0.15000  1.0 3.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    84   0.56750  1.0 1.0
   65    71    77    84  -0.07550 -1.0 2.0
   65    71    77    84   0.20000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    77   0.15000  1.0 3.0
   71    77    84    85   0.15000  1.0 3.0
   71    77    84    86   0.15000  1.0 3.0
   71    77    84    87  -1.63150  1.0 1.0
   71    77    84    87  -0.43550 -1.0 2.0
   71    77    84    87   0.24500  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    84   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    84   0.15000  1.0 3.0
   77    84    87    88   0.41150 -1.0 2.0
   77    84    87    89   0.41150 -1.0 2.0
   78    77    84    85   0.15000  1.0 3.0
   78    77    84    86   0.15000  1.0 3.0
   78    77    84    87  -0.11250  1.0 3.0
   79    77    84    85   0.15000  1.0 3.0
   79    77    84    86   0.15000  1.0 3.0
   79    77    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
   48    41    45    46   0.23400  1.0 3.0
   48    41    45    47   0.23400  1.0 3.0
   48    41    45    52   0.86500  1.0 1.0
   48    41    45    52  -0.17500 -1.0 2.0
   48    41    45    52   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
   88    84    87    89  10.50000 -1.0 2.0
END
