* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    158    224     451
    1     0 S   NP   _N1_     1    29.36325    91.53504   -22.52566
    2     1 S   H    _HN1     2     1.02803    10.33725   174.54576
    3     1 S   H    _H1_     3     1.02762   102.51622   -62.69604
    4     1 S   H    _H2_     4     1.03233   101.04137    48.77292
    5     1 S   CT   _CA1     5     1.50152   121.21636   171.27321
    6     5 S   HC   _HA1     6     1.09587   105.08886    61.15521
    7     5 S   CO3  _C1_     7     1.53890   112.75427   -58.72861
    8     7 S   O2Z  _O11     8     1.26359   115.32395   -41.87504
    9     7 S   O2Z  _O12     9     1.26270   114.82429   137.29195
   10     5 S   CT   _CB1    10     1.53028   107.22940   178.68092
   11    10 S   HC   HB11    11     1.09805   109.06647   -50.98392
   12    10 S   HC   HB12    12     1.09834   110.37339    65.27794
   13    10 S   CT   _CG1    13     1.53148   112.99371  -172.44051
   14    13 S   HC   HG11    14     1.09538   110.06629   -63.05222
   15    13 S   HC   HG12    15     1.09588   110.54297    56.14954
   16    13 S   C    _CD1    16     1.51734   111.22811   175.54983
   17    16 S   O    _OE1    17     1.22795   122.59271   -31.68903
   18    16 S   N    _N2_    18     1.38436   112.71322   149.25591
   19    18 S   H    _HN2    19     1.01565   119.44981     3.40295
   20    18 S   CT1  _CA2    20     1.46178   122.83331  -175.39376
   21    20 S   HC   _HA2    21     1.09606   109.14476    -9.22045
   22    20 S   C    _C2_    22     1.53262   108.94753  -124.65268
   23    22 S   O    _O2_    23     1.23037   122.31201  -148.25110
   24    20 S   CT   _CB2    32     1.53497   111.49612   112.60802
   25    24 S   HC   HB21    33     1.09651   109.53353    63.37692
   26    24 S   HC   HB22    34     1.09561   111.18456  -179.01643
   27    22 S   N    _N3_    24     1.38354   113.49666    39.40337
   28    27 S   H    _HN3    25     1.01653   119.50895    -4.04840
   29    24 S   S    _SG2    35     1.82757   113.73322   -55.78395
   30    27 S   CT   _CA3    26     1.45288   123.02775   176.65397
   31    30 S   HC   HA31    27     1.09557   107.59740   -61.50791
   32    30 S   HC   HA32    28     1.09559   107.84531    54.85859
   33    29 S   CT   _C19    36     1.82282    99.97331   -76.39983
   34    33 S   HC   _H22    37     1.09463   108.09967   -77.92473
   35    33 S   HC   _H23    38     1.09219   110.71749    38.85871
   36    30 S   CO3  _C3_    29     1.52909   114.20882   176.77997
   37    36 S   O2Z  _O31    30     1.26349   116.06327    -1.04211
   38    36 S   O2Z  _O32    31     1.26433   114.40304   179.00142
   39    33 S   CM   _C18    39     1.50105   109.35550   160.31636
   40    39 S   CMA  _C17    40     1.34979   127.53683    98.41091
   41    40 S   OM   _O37    41     1.26288   127.93077     1.12900
   42    40 S   OS   _O36    42     1.42012   109.86127  -178.71336
   43    42 S   CT   _C16    43     1.44219   107.50039    10.27872
   44    43 S   HC   _H5_    44     1.09108   105.95451  -138.15973
   45    39 S   CT   _C15    45     1.50247   120.62011   -82.62424
   46    45 S   HC   _H4_    46     1.09668   110.31206    51.20394
   47    43 S   CM   _C20    78     1.51152   108.70197   102.60891
   48    47 S   HC   _H24    79     1.09044   114.04754   -50.56102
   49    45 S   CT   _C9_    47     1.54894   112.73310   -70.08671
   50    49 S   HC   _H3_    48     1.09538   108.64015    56.95129
   51    47 S   CM   _C21    80     1.34786   128.17651   131.51274
   52    49 S   CT   _C10    49     1.54226   111.51072   176.91777
   53    52 S   HC   _H13    50     1.09660   110.35010   -48.83818
   54    52 S   HC   _H14    51     1.09668   109.69707    67.68228
   55    49 S   OS   _O34    64     1.44657   109.32829   -64.33552
   56    51 S   CT   _C22    81     1.50373   125.24789    -2.17223
   57    56 S   HC   _H25    82     1.09491   110.30644   113.25624
   58    56 S   HC   _H26    83     1.09534   109.99821  -127.30465
   59    56 S   HC   _H27    84     1.09108   113.75560    -7.51982
   60    51 S   CT   _C23    85     1.50836   119.80255   177.71792
   61    60 S   HC   _H28    86     1.09575   111.98691    -0.19584
   62    60 S   HC   _H29    87     1.09466   110.57352   120.25182
   63    52 S   CM   _C11    52     1.52140   112.84132  -170.54815
   64    55 S   CO4  _C8_    65     1.35698   118.03154   120.45701
   65    64 S   O    _O33    66     1.22099   127.54310    -0.31216
   66    60 S   OH   _O38    88     1.42217   109.18812  -120.32654
   67    66 S   HO   _H30    89     0.97539   107.06285   146.86190
   68    63 S   CM   _C12    53     1.34787   119.86806  -104.63134
   69    68 S   HC   _H15    54     1.08973   117.84011     0.92577
   70    63 S   CT   _C14    60     1.50428   115.13921    76.61636
   71    70 S   HC   _H19    61     1.09421   110.55123   -66.31473
   72    70 S   HC   _H20    62     1.09520   110.03098    53.37253
   73    70 S   HC   _H21    63     1.09152   113.58784   172.91773
   74    64 S   CM   _C6_    67     1.48275   108.21104   179.42189
   75    68 S   CT   _C13    55     1.49444   128.45236   179.45896
   76    75 S   HC   _H16    56     1.09086   113.96536     0.20174
   77    75 S   HC   _H17    57     1.09466   109.38827  -121.06863
   78    74 S   CM   _C5_    68     1.34439   120.19945  -128.03927
   79    78 S   HC   _H9_    69     1.08900   117.83979  -178.18318
   80    74 S   CT   _C7_    74     1.49896   116.77005    53.69366
   81    80 S   HC   _H10    75     1.09472   110.81266   -67.25936
   82    80 S   HC   _H11    76     1.09472   110.33695    53.03649
   83    80 S   HC   _H12    77     1.09517   111.90502   172.63244
   84    75 S   OH   _O35    58     1.42130   108.36744   120.97396
   85    84 S   HO   _H18    59     0.97226   106.99357   178.24353
   86    78 S   CT   _C4_    70     1.49585   128.01614     3.29610
   87    86 S   HC   _H6_    71     1.09409   109.88792  -112.24959
   88    86 S   HC   _H7_    72     1.09489   109.38669   129.22816
   89    86 S   HC   _H8_    73     1.09247   113.58793     9.56119
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  12   5  11   3
  11   6   9  12   5   4   6   7   3   2   1   4   3   2  10   9
   3   1   1  10   5   4   2   1   1  10   4   3   2   9   5   4
   2   1   1   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    52    55    47  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    47    48    51  
   44    45    46    49    50    52    55    47    48    51    56    60  
   45    46    49    47    48    51  
   46    49    50    52    53    54    63    55    64    47    48    51  
   49    50    52    55    47  
   48    51    56    57    58    59    60    61    62    66    49  
   51    56    60  
   50    52    53    54    63    68    70    55    64    65    74  
   52    53    54    63    55    64  
   56    57    58    59    60    61    62    66    67  
   53    54    63    68    69    75    70    71    72    73    55    64  
   54    63    68    70    55  
   63    68    70    55  
   64    65    74    78    80    63  
   57    58    59    60    61    62    66  
   58    59    60  
   59    60  
   60  
   61    62    66    67  
   62    66    67  
   66    67  
   68    69    75    76    77    84    70    71    72    73  
   65    74    78    79    86    80    81    82    83  
   74    78    80  
   67  
    0  
   69    75    76    77    84    85    70    71    72    73  
   75    76    77    84    70  
   71    72    73    75  
   72    73  
   73  
    0  
   78    79    86    87    88    89    80    81    82    83  
   76    77    84    85  
   77    84    85  
   84    85  
   79    86    87    88    89    80    81    82    83  
   86    87    88    89    80  
   81    82    83    86  
   82    83  
   83  
    0  
   85  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   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  -0.184000   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.145000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   317.000  1.510
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    63   317.000  1.510
   63    68   549.000  1.340
   63    70   317.000  1.510
   68    69   340.000  1.080
   68    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    84   320.000  1.410
   84    85   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   55    64   214.000  1.327
   64    65   570.000  1.229
   64    74   320.000  1.462
   74    78   549.000  1.340
   74    80   317.000  1.510
   78    79   340.000  1.080
   78    86   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    56   317.000  1.510
   51    60   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    67   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    85.00000  110.90400
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    48    35.00000  117.00000
   43    47    51    70.00000  124.00000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    58.35000  112.70000
   45    49    55    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    63    70.00000  112.02700
   49    55    64    83.00000  116.90000
   52    49    50    37.50000  110.70000
   52    63    68    70.00000  124.00000
   52    63    70    65.00000  117.92700
   54    52    53    33.00000  107.80000
   63    52    53    35.00000  109.50000
   63    52    54    35.00000  109.50000
   63    68    69    35.00000  120.00000
   63    68    75    70.00000  124.00000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    84    90.00000  110.39200
   75    68    69    35.00000  117.00000
   75    84    85    55.00000  108.50000
   77    75    76    33.00000  107.80000
   84    75    76    35.00000  109.50000
   84    75    77    35.00000  109.50000
   70    63    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    52    50.00000  109.50000
   55    64    65    83.00000  123.40000
   55    64    74    90.00000  111.29400
   64    74    78    65.00000  118.96000
   64    74    80    65.00000  116.34900
   74    64    65    80.00000  123.72100
   74    78    79    35.00000  120.00000
   74    78    86    70.00000  124.00000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    88    35.00000  109.50000
   78    86    89    35.00000  109.50000
   86    78    79    35.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   80    74    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    70.00000  112.02700
   47    51    56    70.00000  124.00000
   47    51    60    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    59    35.00000  109.50000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    66    90.00000  110.39200
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    51    56    65.00000  117.92700
   60    66    67    55.00000  108.50000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    52   0.34400  1.0 1.0
   39    45    49    52   0.09450 -1.0 2.0
   39    45    49    52   0.11100  1.0 3.0
   39    45    49    55   0.61850  1.0 1.0
   39    45    49    55  -0.22750 -1.0 2.0
   39    45    49    55   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.48150  1.0 1.0
   40    42    43    47   0.09250 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    48   0.00000  1.0 1.0
   42    43    47    51   0.39000  1.0 1.0
   42    43    47    51  -0.05800 -1.0 2.0
   42    43    47    51  -0.55150  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    52   0.56750  1.0 1.0
   43    45    49    52  -0.07550 -1.0 2.0
   43    45    49    52   0.20000  1.0 3.0
   43    45    49    55   0.62750  1.0 1.0
   43    45    49    55  -0.30950 -1.0 2.0
   43    45    49    55   0.27300  1.0 3.0
   43    47    51    56   7.00000 -1.0 2.0
   43    47    51    60   7.00000 -1.0 2.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    51   0.00000  1.0 1.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    51   0.09850  1.0 1.0
   45    43    47    51   0.15250 -1.0 2.0
   45    43    47    51  -0.50650  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   45    49    52    63   0.34400  1.0 1.0
   45    49    52    63   0.09450 -1.0 2.0
   45    49    52    63   0.11100  1.0 3.0
   45    49    55    64  -0.25900  1.0 1.0
   45    49    55    64  -0.47000 -1.0 2.0
   45    49    55    64   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   49    52    63    68   0.09850  1.0 1.0
   49    52    63    68   0.15250 -1.0 2.0
   49    52    63    68  -0.50650  1.0 3.0
   49    52    63    70   0.46850  1.0 1.0
   49    52    63    70   0.08550 -1.0 2.0
   49    52    63    70   0.09800  1.0 3.0
   49    55    64    65   3.00000 -1.0 2.0
   49    55    64    74   2.00000 -1.0 2.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    63   0.15000  1.0 3.0
   50    49    55    64   0.08050  1.0 3.0
   52    49    55    64  -0.25900  1.0 1.0
   52    49    55    64  -0.47000 -1.0 2.0
   52    49    55    64   0.11750  1.0 3.0
   52    63    68    69   7.00000 -1.0 2.0
   52    63    68    75   7.00000 -1.0 2.0
   52    63    70    71   0.34800  1.0 3.0
   52    63    70    72   0.34800  1.0 3.0
   52    63    70    73   0.34800  1.0 3.0
   53    52    63    68   0.00000  1.0 1.0
   53    52    63    70   0.34800  1.0 3.0
   54    52    63    68   0.00000  1.0 1.0
   54    52    63    70   0.34800  1.0 3.0
   63    68    75    76   0.00000  1.0 1.0
   63    68    75    77   0.00000  1.0 1.0
   63    68    75    84   0.67800  1.0 1.0
   63    68    75    84   0.47050 -1.0 2.0
   63    68    75    84  -0.62500  1.0 3.0
   68    63    70    71   0.00000  1.0 1.0
   68    63    70    72   0.00000  1.0 1.0
   68    63    70    73   0.00000  1.0 1.0
   68    75    84    85  -0.07800  1.0 1.0
   68    75    84    85  -0.21500 -1.0 2.0
   68    75    84    85  -0.03150  1.0 3.0
   69    68    75    76   0.33100  1.0 3.0
   69    68    75    77   0.33100  1.0 3.0
   69    68    75    84   0.00000  1.0 1.0
   76    75    84    85   0.19450  1.0 3.0
   77    75    84    85   0.19450  1.0 3.0
   70    63    68    69   7.00000 -1.0 2.0
   70    63    68    75   7.00000 -1.0 2.0
   55    49    52    53   0.23400  1.0 3.0
   55    49    52    54   0.23400  1.0 3.0
   55    49    52    63   0.61850  1.0 1.0
   55    49    52    63  -0.22750 -1.0 2.0
   55    49    52    63   0.15300  1.0 3.0
   55    64    74    78  -0.56150  1.0 1.0
   55    64    74    78   2.19150 -1.0 2.0
   55    64    74    80  -0.15000  1.0 1.0
   55    64    74    80   0.89550 -1.0 2.0
   55    64    74    80  -0.06900  1.0 3.0
   64    74    78    79   7.00000 -1.0 2.0
   64    74    78    86   7.00000 -1.0 2.0
   64    74    80    81   0.15000  1.0 3.0
   64    74    80    82   0.15000  1.0 3.0
   64    74    80    83   0.15000  1.0 3.0
   65    64    74    78   1.00000 -1.0 2.0
   65    64    74    80  -0.64400  1.0 1.0
   65    64    74    80   0.26850 -1.0 2.0
   74    78    86    87   0.00000  1.0 1.0
   74    78    86    88   0.00000  1.0 1.0
   74    78    86    89   0.00000  1.0 1.0
   78    74    80    81   0.00000  1.0 1.0
   78    74    80    82   0.00000  1.0 1.0
   78    74    80    83   0.00000  1.0 1.0
   79    78    86    87   0.33100  1.0 3.0
   79    78    86    88   0.33100  1.0 3.0
   79    78    86    89   0.33100  1.0 3.0
   80    74    78    79   7.00000 -1.0 2.0
   80    74    78    86   7.00000 -1.0 2.0
   47    43    45    39   0.31000  1.0 1.0
   47    43    45    39   0.14700 -1.0 2.0
   47    43    45    39   0.07550  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.34400  1.0 1.0
   47    43    45    49   0.09450 -1.0 2.0
   47    43    45    49   0.11100  1.0 3.0
   47    51    56    57   0.00000  1.0 1.0
   47    51    56    58   0.00000  1.0 1.0
   47    51    56    59   0.00000  1.0 1.0
   47    51    60    61   0.00000  1.0 1.0
   47    51    60    62   0.00000  1.0 1.0
   47    51    60    66   0.67800  1.0 1.0
   47    51    60    66   0.47050 -1.0 2.0
   47    51    60    66  -0.62500  1.0 3.0
   48    47    51    56   7.00000 -1.0 2.0
   48    47    51    60   7.00000 -1.0 2.0
   51    60    66    67  -0.07800  1.0 1.0
   51    60    66    67  -0.21500 -1.0 2.0
   51    60    66    67  -0.03150  1.0 3.0
   56    51    60    61   0.34800  1.0 3.0
   56    51    60    62   0.34800  1.0 3.0
   56    51    60    66   0.18000  1.0 1.0
   56    51    60    66   0.16450 -1.0 2.0
   56    51    60    66   0.04450  1.0 3.0
   60    51    56    57   0.34800  1.0 3.0
   60    51    56    58   0.34800  1.0 3.0
   60    51    56    59   0.34800  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   62    60    66    67   0.19450  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
   37    30    36    38  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    70    63    68  15.00000 -1.0 2.0
   75    69    68    63  15.00000 -1.0 2.0
   55    74    64    65  10.50000 -1.0 2.0
   64    80    74    78  15.00000 -1.0 2.0
   86    79    78    74  15.00000 -1.0 2.0
   43    48    47    51  15.00000 -1.0 2.0
   56    60    51    47  15.00000 -1.0 2.0
END
