* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    247     492
    1     0 S   NP   _N1_     1    28.69684    96.30979   -23.87165
    2     1 S   H    _HN1     2     1.02782   105.77072   -86.64893
    3     1 S   H    _H1_     3     1.02951    72.71415    18.11459
    4     1 S   H    _H2_     4     1.02828    37.33656   174.36299
    5     1 S   CT   _CA1     5     1.50117   137.83109   119.64368
    6     5 S   HC   _HA1     6     1.09575   105.20085    91.18135
    7     5 S   CO3  _C1_     7     1.53787   112.43471   -29.02772
    8     7 S   O2Z  _O11     8     1.26368   115.00592   -43.09156
    9     7 S   O2Z  _O12     9     1.26242   114.94217   136.02466
   10     5 S   CT   _CB1    10     1.53084   107.41384  -150.87858
   11    10 S   HC   HB11    11     1.09830   109.34199   -50.16657
   12    10 S   HC   HB12    12     1.09813   110.45405    66.42705
   13    10 S   CT   _CG1    13     1.52984   112.61594  -171.18147
   14    13 S   HC   HG11    14     1.09588   110.57392   -65.43259
   15    13 S   HC   HG12    15     1.09670   109.83362    53.78868
   16    13 S   C    _CD1    16     1.51808   112.28664   174.18634
   17    16 S   O    _OE1    17     1.22726   123.31281     4.42350
   18    16 S   N    _N2_    18     1.38658   111.62727  -175.52630
   19    18 S   H    _HN2    19     1.01580   118.91822     1.73641
   20    18 S   CT1  _CA2    20     1.46194   123.40710   177.72368
   21    20 S   HC   _HA2    21     1.09735   109.38471     1.55985
   22    20 S   C    _C2_    22     1.53534   108.57849  -113.93058
   23    22 S   O    _O2_    23     1.23056   122.29070  -147.77287
   24    20 S   CT   _CB2    32     1.53334   111.54623   123.60043
   25    24 S   HC   HB21    33     1.09491   109.98290    56.25105
   26    24 S   HC   HB22    34     1.09520   110.15275   175.21828
   27    22 S   N    _N3_    24     1.38334   113.69031    39.66990
   28    27 S   H    _HN3    25     1.01592   119.57780    -3.39200
   29    24 S   S    _SG2    35     1.82837   111.50009   -65.23679
   30    27 S   CT   _CA3    26     1.45290   123.18931   177.09384
   31    30 S   HC   HA31    27     1.09550   107.50983   -64.45059
   32    30 S   HC   HA32    28     1.09557   107.97940    51.98012
   33    29 S   CT   _C13    36     1.85106    99.71340   179.02221
   34    33 S   HC   _H4_    37     1.09751   106.21055    32.97384
   35    30 S   CO3  _C3_    29     1.52954   114.09754   173.97133
   36    35 S   O2Z  _O31    30     1.26375   116.06356    -0.86434
   37    35 S   O2Z  _O32    31     1.26430   114.41129   179.19911
   38    33 S   CT   _C14    38     1.54715   107.85323   -83.66459
   39    38 S   HC   _H15    39     1.09814   111.12704   -59.16329
   40    38 S   HC   _H16    40     1.09827   108.04877    54.63528
   41    33 S   CT   _C12    52     1.55127   112.98889   149.50154
   42    41 S   HC   _H14    53     1.09471   107.89208  -162.83475
   43    38 S   NT   _N4_    41     1.47500   112.09381   175.39274
   44    41 S   CT   _C11    54     1.53925   114.50921   -44.57625
   45    44 S   HC   _H12    55     1.09645   111.21968   -44.22685
   46    44 S   HC   _H13    56     1.09494   111.83475    75.68206
   47    43 S   CT   _C15    42     1.47508   112.91552   109.78550
   48    47 S   HC   _H17    43     1.09906   108.61053   153.98945
   49    47 S   HC   _H18    44     1.09712   112.63330    37.75263
   50    44 S   OS   _O34    57     1.44514   110.69056  -166.81440
   51    43 S   CT   _C20    86     1.46778   109.93144  -127.21165
   52    51 S   HC   _H21    87     1.09618   110.59473    58.04392
   53    51 S   HC   _H22    88     1.09610   112.02609   -63.33556
   54    51 S   HC   _H23    89     1.09594   110.71698   175.33914
   55    47 S   CT   _C16    45     1.53025   112.99870   -89.90266
   56    55 S   HC   _H19    46     1.09950   107.57366  -153.42120
   57    55 S   HC   _H20    47     1.09743   110.07263   -41.42471
   58    50 S   CO4  _C10    58     1.36223   117.81632    92.73164
   59    58 S   O    _O33    59     1.22595   125.08694    -3.35468
   60    55 S   CT   _C17    48     1.52575   116.80003    86.61433
   61    60 S   HC   _H5_    49     1.09698   110.28979    66.99607
   62    58 S   CT   _C9_    60     1.53724   111.30614   177.55535
   63    60 S   CO4  _C18    50     1.51725   117.87416   -57.28300
   64    63 S   O    _O35    51     1.23410   119.74144   144.78387
   65    62 S   CT   _C8_    61     1.56216   113.35648    70.39038
   66    65 S   HC   _H3_    62     1.10104   106.47300   162.77882
   67    62 S   CT   _C21    80     1.53079   110.26950   -58.25610
   68    67 S   HC   _H24    81     1.09592   110.75754  -175.69307
   69    67 S   HC   _H25    82     1.09396   112.91968    62.31397
   70    67 S   HC   _H26    83     1.09690   110.55460   -57.88630
   71    62 S   OH   _O38    84     1.43726   106.11349  -171.29175
   72    71 S   HO   _H27    85     0.97236   108.42659   -49.93442
   73    65 S   CT   _C7_    63     1.55596   113.20248   -81.49569
   74    73 S   HC   _H10    64     1.09420   111.36713    32.77548
   75    73 S   HC   _H11    65     1.10013   107.48797   -79.58324
   76    65 S   CT   _C22    76     1.54001   111.45388    49.46925
   77    76 S   HC   _H28    77     1.09248   112.05231   -65.17708
   78    76 S   HC   _H29    78     1.09441   111.53626   173.31716
   79    76 S   HC   _H30    79     1.09461   111.16839    55.17189
   80    73 S   CM   _C6_    66     1.51704   116.67770   158.70663
   81    80 S   CO4  _C19    67     1.49834   117.77642   -98.46097
   82    81 S   O    _O37    68     1.21996   125.77580  -160.03940
   83    80 S   CM   _C5_    70     1.34660   120.56476    84.73865
   84    83 S   HC   _H9_    71     1.08986   117.40679    -0.20748
   85    60 S   OS   _O36    69     1.44204   108.30375  -171.27472
   86    83 S   CT   _C4_    72     1.49471   128.95849  -178.11342
   87    86 S   HC   _H6_    73     1.09372   110.30152   -97.46487
   88    86 S   HC   _H7_    74     1.09543   109.24040   144.03074
   89    86 S   HC   _H8_    75     1.09219   113.20730    25.62136
  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  15   5   4  13   7  11   9   4   3  13   6
   5   7   4   2   1   1   8   5   4  12   4   7   4  16   3   1
  17  10   7   3   2   1   3   1  13   5   4   4   2   1   1   9
   5   2   6   4   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    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    63    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    60    63    64    41    42    44    45    46    50    51  
   38    39    40    43    63    41    42    44  
   36    37  
   37  
    0  
   39    40    43    47    48    49    55    63    41    42    44    51    52    53    54  
   40    43    47    41    51  
   43    47    41    51  
   42    44    45    46    50    58    85    43    55    60    61    63    64  
   44    45    46    50    60    63    64  
   47    48    49    55    56    57    60    51    52    53    54  
   45    46    50    58    59    62    60    63    64  
   46    50    58    63  
   50    58    63  
   48    49    55    56    57    60    61    63    85    51    52    53    54  
   49    55    56    57    60    51  
   55    56    57    60    51  
   58    59    62    65    67    71    63  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    60    61    63    64    81    85  
   57    60    61    63    85  
   60    61    63    85  
   59    62    65    66    73    76    67    68    69    70    71    72  
   62    65    67    71  
   61    63    64    80    81    82    85  
   63    64    81    85  
   65    66    73    74    75    80    76    77    78    79    67    68    69    70    71    72  
   64    81    85  
   85  
   66    73    74    75    80    81    83    76    77    78    79    67    68    69    70    71    72  
   73    74    75    80    76    77    78    79    67    71  
   68    69    70    71    72    73    76  
   69    70    71  
   70    71  
   71  
   72    73    76  
    0  
   74    75    80    81    82    85    83    84    86    76    77    78    79  
   75    80    81    83    76  
   80    81    83    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    85    83    84    86    87    88    89  
   82    85    83    84    86  
   85    83  
   84    86    87    88    89    85  
   86    87    88    89  
    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   0.107500   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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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    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   382.000  1.448
   43    47   382.000  1.448
   43    51   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    63   317.000  1.522
   60    85   320.000  1.410
   63    64   570.000  1.229
   63    41   317.000  1.522
   41    42   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    58   214.000  1.327
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    65   268.000  1.529
   62    67   268.000  1.529
   62    71   320.000  1.410
   65    66   340.000  1.090
   65    73   268.000  1.529
   65    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    80   317.000  1.510
   80    81   320.000  1.462
   80    83   549.000  1.340
   81    82   570.000  1.229
   81    85   214.000  1.327
   83    84   340.000  1.080
   83    86   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    56.20000  109.47000
   33    41    63    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    47    51.80000  107.20000
   38    43    51    51.80000  107.20000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    55    56.20000  109.47000
   43    51    52    35.00000  109.50000
   43    51    53    35.00000  109.50000
   43    51    54    35.00000  109.50000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    63    63.00000  111.10000
   55    60    85    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    41    70.00000  116.00000
   60    85    81    83.00000  116.90000
   63    60    61    35.00000  109.50000
   63    41    42    35.00000  109.50000
   63    41    44    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    63    64    80.00000  120.40000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    50    50.00000  109.50000
   44    41    42    37.50000  110.70000
   44    50    58    83.00000  116.90000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    58    59    83.00000  123.40000
   50    58    62    81.00000  111.40000
   58    62    65    63.00000  111.10000
   58    62    67    63.00000  111.10000
   58    62    71    90.00000  109.61100
   62    58    59    80.00000  120.40000
   62    65    66    37.50000  110.70000
   62    65    73    58.35000  112.70000
   62    65    76    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   62    71    72    55.00000  108.50000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    80    70.00000  112.02700
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    37.50000  110.70000
   73    65    66    37.50000  110.70000
   73    80    81    65.00000  116.34900
   73    80    83    70.00000  124.00000
   75    73    74    33.00000  107.80000
   80    73    74    35.00000  109.50000
   80    73    75    35.00000  109.50000
   80    81    82    80.00000  123.72100
   80    81    85    90.00000  111.29400
   80    83    84    35.00000  120.00000
   80    83    86    70.00000  124.00000
   85    60    61    35.00000  109.50000
   85    60    63    90.00000  108.74100
   85    81    82    83.00000  123.40000
   83    80    81    65.00000  118.96000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   86    83    84    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
   76    65    66    37.50000  110.70000
   76    65    73    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    62    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    62    65    50.00000  109.50000
   71    62    67    50.00000  109.50000
   51    43    47    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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   0.56750  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    41    63   0.56750  1.0 1.0
   29    33    41    63  -0.07550 -1.0 2.0
   29    33    41    63   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   33    38    43    47   0.23450  1.0 1.0
   33    38    43    47   0.02050 -1.0 2.0
   33    38    43    47   0.25250  1.0 3.0
   33    38    43    51   0.23450  1.0 1.0
   33    38    43    51   0.02050 -1.0 2.0
   33    38    43    51   0.25250  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    50   0.62750  1.0 1.0
   33    41    44    50  -0.30950 -1.0 2.0
   33    41    44    50   0.27300  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    63  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   38    33    41    63  -0.95700  1.0 1.0
   38    33    41    63  -0.18200 -1.0 2.0
   38    33    41    63   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    43    47    48   0.28000  1.0 3.0
   38    43    47    49   0.28000  1.0 3.0
   38    43    47    55   0.23450  1.0 1.0
   38    43    47    55   0.02050 -1.0 2.0
   38    43    47    55   0.25250  1.0 3.0
   38    43    51    52   0.28000  1.0 3.0
   38    43    51    53   0.28000  1.0 3.0
   38    43    51    54   0.28000  1.0 3.0
   39    38    43    47   0.28000  1.0 3.0
   39    38    43    51   0.28000  1.0 3.0
   40    38    43    47   0.28000  1.0 3.0
   40    38    43    51   0.28000  1.0 3.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    57   0.15000  1.0 3.0
   43    47    55    60   1.53400  1.0 1.0
   43    47    55    60  -0.09950 -1.0 2.0
   43    47    55    60   0.05700  1.0 3.0
   47    43    51    52   0.28000  1.0 3.0
   47    43    51    53   0.28000  1.0 3.0
   47    43    51    54   0.28000  1.0 3.0
   47    55    60    61   0.15000  1.0 3.0
   47    55    60    63  -0.95700  1.0 1.0
   47    55    60    63  -0.18200 -1.0 2.0
   47    55    60    63   0.29450  1.0 3.0
   47    55    60    85   0.62750  1.0 1.0
   47    55    60    85  -0.30950 -1.0 2.0
   47    55    60    85   0.27300  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    60   0.15000  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   49    47    55    60   0.15000  1.0 3.0
   55    60    63    64   0.30150 -1.0 2.0
   55    60    63    41   0.60050  1.0 1.0
   55    60    63    41   0.05600 -1.0 2.0
   55    60    63    41   0.26150  1.0 3.0
   55    60    85    81  -0.25900  1.0 1.0
   55    60    85    81  -0.47000 -1.0 2.0
   55    60    85    81   0.11750  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63  -0.11250  1.0 3.0
   56    55    60    85   0.23400  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    63  -0.11250  1.0 3.0
   57    55    60    85   0.23400  1.0 3.0
   60    63    41    33   0.60050  1.0 1.0
   60    63    41    33   0.05600 -1.0 2.0
   60    63    41    33   0.26150  1.0 3.0
   60    63    41    42   0.00000  1.0 1.0
   60    63    41    44   0.60050  1.0 1.0
   60    63    41    44   0.05600 -1.0 2.0
   60    63    41    44   0.26150  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    41   0.00000  1.0 1.0
   61    60    85    81   0.08050  1.0 3.0
   63    60    85    81  -1.80650  1.0 1.0
   63    60    85    81   0.63900 -1.0 2.0
   63    60    85    81   0.03650  1.0 3.0
   63    41    44    45  -0.11250  1.0 3.0
   63    41    44    46  -0.11250  1.0 3.0
   63    41    44    50  -0.09450  1.0 1.0
   63    41    44    50  -1.12950 -1.0 2.0
   63    41    44    50   0.54000  1.0 3.0
   64    63    41    33   0.30150 -1.0 2.0
   64    63    41    42   0.00000  1.0 1.0
   64    63    41    44   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.53400  1.0 1.0
   41    33    38    43  -0.09950 -1.0 2.0
   41    33    38    43   0.05700  1.0 3.0
   41    44    50    58  -0.25900  1.0 1.0
   41    44    50    58  -0.47000 -1.0 2.0
   41    44    50    58   0.11750  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    50   0.23400  1.0 3.0
   44    50    58    59   3.00000 -1.0 2.0
   44    50    58    62   1.63150  1.0 1.0
   44    50    58    62   2.92000 -1.0 2.0
   45    44    50    58   0.08050  1.0 3.0
   46    44    50    58   0.08050  1.0 3.0
   50    58    62    65   0.36750  1.0 3.0
   50    58    62    67   0.36750  1.0 3.0
   50    58    62    71   0.30750  1.0 1.0
   50    58    62    71   1.13850 -1.0 2.0
   50    58    62    71   0.38850  1.0 3.0
   58    62    65    66  -0.11250  1.0 3.0
   58    62    65    73  -0.95700  1.0 1.0
   58    62    65    73  -0.18200 -1.0 2.0
   58    62    65    73   0.29450  1.0 3.0
   58    62    65    76  -0.95700  1.0 1.0
   58    62    65    76  -0.18200 -1.0 2.0
   58    62    65    76   0.29450  1.0 3.0
   58    62    67    68  -0.11250  1.0 3.0
   58    62    67    69  -0.11250  1.0 3.0
   58    62    67    70  -0.11250  1.0 3.0
   58    62    71    72   0.91850  1.0 1.0
   58    62    71    72   0.57950  1.0 3.0
   59    58    62    65   0.30150 -1.0 2.0
   59    58    62    67   0.30150 -1.0 2.0
   59    58    62    71   0.30150 -1.0 2.0
   62    65    73    74   0.15000  1.0 3.0
   62    65    73    75   0.15000  1.0 3.0
   62    65    73    80   0.34400  1.0 1.0
   62    65    73    80   0.09450 -1.0 2.0
   62    65    73    80   0.11100  1.0 3.0
   62    65    76    77   0.15000  1.0 3.0
   62    65    76    78   0.15000  1.0 3.0
   62    65    76    79   0.15000  1.0 3.0
   65    62    67    68   0.15000  1.0 3.0
   65    62    67    69   0.15000  1.0 3.0
   65    62    67    70   0.15000  1.0 3.0
   65    62    71    72  -0.11600  1.0 1.0
   65    62    71    72  -0.09450 -1.0 2.0
   65    62    71    72   0.21250  1.0 3.0
   65    73    80    81   0.09700  1.0 1.0
   65    73    80    81   0.15600 -1.0 2.0
   65    73    80    81  -0.50800  1.0 3.0
   65    73    80    83   0.09850  1.0 1.0
   65    73    80    83   0.15250 -1.0 2.0
   65    73    80    83  -0.50650  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    80   0.15000  1.0 3.0
   66    65    76    77   0.15000  1.0 3.0
   66    65    76    78   0.15000  1.0 3.0
   66    65    76    79   0.15000  1.0 3.0
   73    65    76    77   0.15000  1.0 3.0
   73    65    76    78   0.15000  1.0 3.0
   73    65    76    79   0.15000  1.0 3.0
   73    80    81    82  -0.64400  1.0 1.0
   73    80    81    82   0.26850 -1.0 2.0
   73    80    81    85  -0.15000  1.0 1.0
   73    80    81    85   0.89550 -1.0 2.0
   73    80    81    85  -0.06900  1.0 3.0
   73    80    83    84   7.00000 -1.0 2.0
   73    80    83    86   7.00000 -1.0 2.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    83   0.00000  1.0 1.0
   75    73    80    81   0.15000  1.0 3.0
   75    73    80    83   0.00000  1.0 1.0
   80    81    85    60   2.00000 -1.0 2.0
   80    83    86    87   0.00000  1.0 1.0
   80    83    86    88   0.00000  1.0 1.0
   80    83    86    89   0.00000  1.0 1.0
   81    80    83    84   7.00000 -1.0 2.0
   81    80    83    86   7.00000 -1.0 2.0
   82    81    85    60   3.00000 -1.0 2.0
   85    60    63    64   0.30150 -1.0 2.0
   85    60    63    41   0.55300  1.0 1.0
   85    60    63    41   1.25850 -1.0 2.0
   85    60    63    41  -0.23600  1.0 3.0
   83    80    81    82   1.00000 -1.0 2.0
   83    80    81    85  -0.56150  1.0 1.0
   83    80    81    85   2.19150 -1.0 2.0
   84    83    86    87   0.33100  1.0 3.0
   84    83    86    88   0.33100  1.0 3.0
   84    83    86    89   0.33100  1.0 3.0
   76    65    73    74   0.15000  1.0 3.0
   76    65    73    75   0.15000  1.0 3.0
   76    65    73    80   0.34400  1.0 1.0
   76    65    73    80   0.09450 -1.0 2.0
   76    65    73    80   0.11100  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    73   0.56750  1.0 1.0
   67    62    65    73  -0.07550 -1.0 2.0
   67    62    65    73   0.20000  1.0 3.0
   67    62    65    76   0.56750  1.0 1.0
   67    62    65    76  -0.07550 -1.0 2.0
   67    62    65    76   0.20000  1.0 3.0
   67    62    71    72  -0.11600  1.0 1.0
   67    62    71    72  -0.09450 -1.0 2.0
   67    62    71    72   0.21250  1.0 3.0
   71    62    65    66   0.23400  1.0 3.0
   71    62    65    73   0.86500  1.0 1.0
   71    62    65    73  -0.17500 -1.0 2.0
   71    62    65    73   0.20800  1.0 3.0
   71    62    65    76   0.86500  1.0 1.0
   71    62    65    76  -0.17500 -1.0 2.0
   71    62    65    76   0.20800  1.0 3.0
   71    62    67    68   0.23400  1.0 3.0
   71    62    67    69   0.23400  1.0 3.0
   71    62    67    70   0.23400  1.0 3.0
   51    43    47    48   0.28000  1.0 3.0
   51    43    47    49   0.28000  1.0 3.0
   51    43    47    55   0.23450  1.0 1.0
   51    43    47    55   0.02050 -1.0 2.0
   51    43    47    55   0.25250  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
   60    41    63    64  10.50000 -1.0 2.0
   50    62    58    59  10.50000 -1.0 2.0
   73    81    80    83   1.10000 -1.0 2.0
   80    85    81    82  10.50000 -1.0 2.0
   86    84    83    80   1.10000 -1.0 2.0
END
