* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    263     499
    1     0 S   NP   _N1_     1    29.13599    94.85911   -24.11428
    2     1 S   H    _HN1     2     1.02947    85.56242   -13.24772
    3     1 S   H    _H1_     3     1.02825    23.50114   143.06357
    4     1 S   H    _H2_     4     1.02793   107.05003  -121.13391
    5     1 S   CT   _CA1     5     1.50133   129.09225    99.55571
    6     5 S   HC   _HA1     6     1.09565   105.17799    76.32583
    7     5 S   CO3  _C1_     7     1.53818   112.50773   -43.93558
    8     7 S   O2Z  _O11     8     1.26390   115.00900   -39.51037
    9     7 S   O2Z  _O12     9     1.26233   114.96603   139.55426
   10     5 S   CT   _CB1    10     1.53042   107.39280  -165.56629
   11    10 S   HC   HB11    11     1.09841   109.51947   -47.89948
   12    10 S   HC   HB12    12     1.09781   110.32098    68.65750
   13    10 S   CT   _CG1    13     1.53012   112.69037  -168.76846
   14    13 S   HC   HG11    14     1.09569   110.75645   -64.90953
   15    13 S   HC   HG12    15     1.09647   109.75236    54.43875
   16    13 S   C    _CD1    16     1.51729   111.91628   175.18973
   17    16 S   O    _OE1    17     1.22767   123.12878    13.16390
   18    16 S   N    _N2_    18     1.38676   112.01029  -167.50974
   19    18 S   H    _HN2    19     1.01566   119.09934     3.53889
   20    18 S   CT1  _CA2    20     1.46133   123.18606  -179.63096
   21    20 S   HC   _HA2    21     1.09566   108.81988    11.49379
   22    20 S   C    _C2_    22     1.53702   109.88680  -103.92059
   23    22 S   O    _O2_    23     1.23122   121.91686  -152.30485
   24    20 S   CT   _CB2    32     1.53567   111.83669   133.46411
   25    24 S   HC   HB21    33     1.09670   109.36755    67.02381
   26    24 S   HC   HB22    34     1.09519   110.91889  -175.95334
   27    22 S   N    _N3_    24     1.38199   114.20637    35.07235
   28    27 S   H    _HN3    25     1.01519   119.71018    -3.19653
   29    24 S   S    _SG2    35     1.82882   114.63165   -52.02419
   30    27 S   CT   _CA3    26     1.45294   123.28299   177.16517
   31    30 S   HC   HA31    27     1.09548   107.51797   -64.53246
   32    30 S   HC   HA32    28     1.09555   107.99496    51.93168
   33    29 S   CT   _C20    36     1.84234   100.88709   -70.37109
   34    33 S   HC   _H7_    37     1.09429   109.47984    30.67617
   35    30 S   CO3  _C3_    29     1.52980   114.02998   173.91137
   36    35 S   O2Z  _O31    30     1.26387   116.06865    -0.90784
   37    35 S   O2Z  _O32    31     1.26424   114.41988   179.16070
   38    33 S   CT   _C7_    38     1.55202   110.13384   150.26003
   39    38 S   HC   _H4_    39     1.09532   108.67126    57.40944
   40    33 S   CT   _C21    84     1.53229   107.34554   -87.07182
   41    40 S   HC   _H26    85     1.09607   111.65936   -65.38249
   42    40 S   HC   _H27    86     1.09514   111.00592   174.69001
   43    40 S   HC   _H28    87     1.09545   111.75350    56.08468
   44    38 S   CO4  _C8_    40     1.51965   109.05630   176.22374
   45    44 S   O    _O33    41     1.22356   124.74895    69.92272
   46    38 S   CT   _C6_    68     1.54425   113.09548   -64.14997
   47    46 S   HC   _H11    69     1.09882   107.26627   -57.97137
   48    46 S   HC   _H12    70     1.09532   110.43413    56.31524
   49    44 S   OS   _O34    42     1.36040   109.28531  -111.13147
   50    49 S   CT   _C9_    43     1.43822   117.00043  -170.71369
   51    50 S   HC   _H5_    44     1.09595   109.90196    41.62874
   52    50 S   CT   _C10    45     1.52247   110.15683   -83.47041
   53    52 S   HC   _H13    46     1.09594   110.39495   167.59554
   54    52 S   HC   _H14    47     1.09325   113.73557    44.69175
   55    52 S   CT   _C11    48     1.51700   102.17809   -75.01528
   56    55 S   HC   _H15    49     1.09448   110.89260    74.95051
   57    55 S   HC   _H16    50     1.09366   113.89000  -160.09823
   58    55 S   NTX  _N4_    51     1.50690   104.24142   -41.73857
   59    58 S   ONX  _O35    52     1.36713   110.17288   -95.07649
   60    58 S   CT   _C15    53     1.51989   113.47556   139.83046
   61    60 S   HC   _H18    54     1.09440   107.46393   118.95241
   62    60 S   HC   _H19    55     1.09256   109.53568    -0.51358
   63    60 S   CM   _C14    56     1.49149   106.22065  -121.38681
   64    63 S   HC   _H17    57     1.08083   123.30490  -174.49708
   65    63 S   CM   _C13    58     1.33887   111.90344     4.20868
   66    65 S   CT   _C16    59     1.49122   125.95339  -176.02133
   67    66 S   HC   _H20    60     1.09742   111.69141     8.93675
   68    66 S   HC   _H21    61     1.09562   109.24994   125.98160
   69    50 S   CT   _C12    82     1.53412   109.53540   163.83094
   70    69 S   HC   _H6_    83     1.09747   110.52620  -155.87469
   71    66 S   OS   _O36    62     1.43965   113.08009  -115.13545
   72    71 S   CO4  _C17    63     1.36796   116.51644    84.29987
   73    72 S   O    _O37    64     1.22605   125.09792   -14.00899
   74    72 S   CT   _C18    65     1.53683   111.00337   161.70484
   75    74 S   CT   _C5_    66     1.56421   112.97642    58.80746
   76    75 S   HC   _H3_    67     1.09665   109.02434   -43.32444
   77    74 S   CT   _C19    75     1.54524   106.99254   -66.73906
   78    77 S   HC   _H22    76     1.09447   111.12114  -169.56349
   79    77 S   HC   _H23    77     1.09488   111.67230    67.80345
   80    74 S   OH   _O39    80     1.43006   107.63353   178.59138
   81    80 S   HO   _H25    81     0.97400   107.42469    62.80011
   82    75 S   CT   _C4_    71     1.54288   111.94930  -160.06777
   83    82 S   HC   _H8_    72     1.09482   111.18532   -57.18555
   84    82 S   HC   _H9_    73     1.09581   111.03378  -177.31897
   85    82 S   HC   _H10    74     1.09431   111.51031    64.33270
   86    77 S   OH   _O38    78     1.42815   110.09544   -52.43376
   87    86 S   HO   _H24    79     0.97283   106.97027  -178.01999
  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
  14   8   2   1   1  16   8   5   2   1   1  10   3  13   5   4
  10  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3
   7   8   4   3   2   1   6  11   4  13  11   6   7   4   3   3
   1   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    75    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    74    75    76    46    47    48    82    40    41    42    43  
   44    45    49    75    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    75    46    47    48    69  
   49    50    46  
   47    48    82    83    84    85    77    80    49    72    74    75    76  
   48    82    74    75    76  
   82    74    75    76  
   50    51    52    53    54    55    58    65    69    70  
   51    52    53    54    55    56    57    58    59    60    63    65    66    69    70  
   52    53    54    55    58    65    69    70  
   53    54    55    56    57    58    59    60    65    69    70  
   54    55    56    57    58    69  
   55    56    57    58    69  
   56    57    58    59    60    61    62    63    65    69    70  
   57    58    59    60    69  
   58    59    60    69  
   59    60    61    62    63    64    65    66    69    70  
   60    61    62    63    65    69    70  
   61    62    63    64    65    66    69    70  
   62    63    64    65    69  
   63    64    65    69  
   64    65    66    67    68    71    69    70  
   65    66    69  
   66    67    68    71    72    69    70  
   67    68    71    72    73    74    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75    77    80  
   73    74    75    76    82    77    78    79    86    80    81  
   74    75    77    80  
   75    76    82    83    84    85    77    78    79    86    87    80    81  
   76    82    83    84    85    77    78    79    86    80    81  
   82    83    84    85    77    80  
   78    79    86    87    80    81    82  
   79    86    87    80  
   86    87    80  
   81    82    86  
    0  
   83    84    85  
   84    85  
   85  
    0  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.003900   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1200   0.397800   2.2900   2.0360   0.003973653   1.685851020
   59   2.9600   0.1700  -0.769500   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.003900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.160500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    69   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   255.000  1.497
   58    59   410.000  1.347
   58    60   255.000  1.497
   58    69   255.000  1.497
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    80   320.000  1.410
   75    76   340.000  1.090
   75    46   268.000  1.529
   75    82   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    86   320.000  1.410
   86    87   553.000  0.945
   80    81   553.000  0.945
   69    70   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    75    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    69    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    69    58    80.00000  107.80000
   50    69    65    70.00000  112.02700
   50    69    70    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  107.80000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59   100.00000  112.40400
   55    58    60    80.00000  109.71000
   55    58    69    80.00000  109.71000
   57    55    56    33.00000  107.80000
   58    55    56    50.00000  105.66800
   58    55    57    50.00000  105.66800
   58    60    61    50.00000  105.66800
   58    60    62    50.00000  105.66800
   58    60    63    75.00000  110.06800
   58    69    65    75.00000  110.06800
   58    69    70    50.00000  105.66800
   60    58    59   100.00000  112.40400
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    69    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    71    85.00000  110.90400
   65    69    70    35.00000  109.50000
   66    71    72    83.00000  116.90000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    63.00000  111.10000
   72    74    77    63.00000  111.10000
   72    74    80    90.00000  109.61100
   74    72    73    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    46    58.35000  112.70000
   74    75    82    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    86    50.00000  109.50000
   74    80    81    55.00000  108.50000
   75    46    47    37.50000  110.70000
   75    46    48    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    75    76    37.50000  110.70000
   48    46    47    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    46    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    74    75    58.35000  112.70000
   77    86    87    55.00000  108.50000
   79    77    78    33.00000  107.80000
   86    77    78    35.00000  109.50000
   86    77    79    35.00000  109.50000
   80    74    75    50.00000  109.50000
   80    74    77    50.00000  109.50000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    58    59   100.00000  112.40400
   69    58    60    80.00000  109.71000
   69    65    66    65.00000  117.92700
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    75   0.56750  1.0 1.0
   33    38    46    75  -0.07550 -1.0 2.0
   33    38    46    75   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    75   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    75  -0.95700  1.0 1.0
   44    38    46    75  -0.18200 -1.0 2.0
   44    38    46    75   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    69  -0.25900  1.0 1.0
   44    49    50    69  -0.47000 -1.0 2.0
   44    49    50    69   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    69    58   1.69300  1.0 1.0
   49    50    69    58  -0.48450 -1.0 2.0
   49    50    69    65   0.61850  1.0 1.0
   49    50    69    65  -0.22750 -1.0 2.0
   49    50    69    65   0.15300  1.0 3.0
   49    50    69    70   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    69    58   0.19200  1.0 3.0
   51    50    69    65   0.15000  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   52    50   -69    58   1.36600  1.0 1.0
   52    50   -69    58  -0.11450 -1.0 2.0
   52    50   -69    58   0.24250  1.0 3.0
   52    50    69    65   0.34400  1.0 1.0
   52    50    69    65   0.09450 -1.0 2.0
   52    50    69    65   0.11100  1.0 3.0
   52    50    69    70   0.15000  1.0 3.0
   52    55    58    59   0.14050  1.0 1.0
   52    55    58    59  -0.22350 -1.0 2.0
   52    55    58    59   0.07400  1.0 3.0
   52    55    58    60  -0.14200  1.0 1.0
   52    55    58    60   0.13450 -1.0 2.0
   52    55    58    60   0.34600  1.0 3.0
   52    55   -58    69  -0.14200  1.0 1.0
   52    55   -58    69   0.13450 -1.0 2.0
   52    55   -58    69   0.34600  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.35400  1.0 3.0
   55    58    60    62   0.35400  1.0 3.0
   55    58    60    63   0.08000 -1.0 2.0
   55    58   -69    50  -0.14200  1.0 1.0
   55    58   -69    50   0.13450 -1.0 2.0
   55    58   -69    50   0.34600  1.0 3.0
   55    58    69    65   0.08000 -1.0 2.0
   55    58    69    70   0.35400  1.0 3.0
   56    55    58    59  -0.15150  1.0 3.0
   56    55    58    60   0.35400  1.0 3.0
   56    55    58    69   0.35400  1.0 3.0
   57    55    58    59  -0.15150  1.0 3.0
   57    55    58    60   0.35400  1.0 3.0
   57    55    58    69   0.35400  1.0 3.0
   58    60    63    64   0.00000  1.0 1.0
   58    60   -63    65   0.80850  1.0 1.0
   58    60   -63    65  -0.47300 -1.0 2.0
   58    60   -63    65  -0.52300  1.0 3.0
   59    58    60    61  -0.15150  1.0 3.0
   59    58    60    62  -0.15150  1.0 3.0
   59    58    60    63   0.13850  1.0 1.0
   59    58    60    63  -0.22050 -1.0 2.0
   59    58    60    63   0.10200  1.0 3.0
   59    58    69    50   0.14050  1.0 1.0
   59    58    69    50  -0.22350 -1.0 2.0
   59    58    69    50   0.07400  1.0 3.0
   59    58    69    65   0.13850  1.0 1.0
   59    58    69    65  -0.22050 -1.0 2.0
   59    58    69    65   0.10200  1.0 3.0
   59    58    69    70  -0.15150  1.0 3.0
   60    58    69    50  -0.14200  1.0 1.0
   60    58    69    50   0.13450 -1.0 2.0
   60    58    69    50   0.34600  1.0 3.0
   60    58   -69    65   0.08000 -1.0 2.0
   60    58    69    70   0.35400  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63   -65    69   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    71   0.39000  1.0 1.0
   63    65    66    71  -0.05800 -1.0 2.0
   63    65    66    71  -0.55150  1.0 3.0
   63    65    69    50   0.09850  1.0 1.0
   63    65    69    50   0.15250 -1.0 2.0
   63    65    69    50  -0.50650  1.0 3.0
   63    65   -69    58   0.80850  1.0 1.0
   63    65   -69    58  -0.47300 -1.0 2.0
   63    65   -69    58  -0.52300  1.0 3.0
   63    65    69    70   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    69   7.00000 -1.0 2.0
   65    66    71    72  -0.82050  1.0 1.0
   65    66    71    72   0.00600 -1.0 2.0
   65    66    71    72   0.04400  1.0 3.0
   66    65    69    50   0.46850  1.0 1.0
   66    65    69    50   0.08550 -1.0 2.0
   66    65    69    50   0.09800  1.0 3.0
   66    65    69    58   0.52100  1.0 1.0
   66    65    69    58  -0.20350 -1.0 2.0
   66    65    69    58   0.29750  1.0 3.0
   66    65    69    70   0.34800  1.0 3.0
   66    71    72    73   3.00000 -1.0 2.0
   66    71    72    74   1.63150  1.0 1.0
   66    71    72    74   2.92000 -1.0 2.0
   67    66    71    72   0.08050  1.0 3.0
   68    66    71    72   0.08050  1.0 3.0
   71    72    74    75   0.36750  1.0 3.0
   71    72    74    77   0.36750  1.0 3.0
   71    72    74    80   0.30750  1.0 1.0
   71    72    74    80   1.13850 -1.0 2.0
   71    72    74    80   0.38850  1.0 3.0
   72    74    75    76  -0.11250  1.0 3.0
   72    74    75    46  -0.95700  1.0 1.0
   72    74    75    46  -0.18200 -1.0 2.0
   72    74    75    46   0.29450  1.0 3.0
   72    74    75    82  -0.95700  1.0 1.0
   72    74    75    82  -0.18200 -1.0 2.0
   72    74    75    82   0.29450  1.0 3.0
   72    74    77    78  -0.11250  1.0 3.0
   72    74    77    79  -0.11250  1.0 3.0
   72    74    77    86  -0.09450  1.0 1.0
   72    74    77    86  -1.12950 -1.0 2.0
   72    74    77    86   0.54000  1.0 3.0
   72    74    80    81   0.91850  1.0 1.0
   72    74    80    81   0.57950  1.0 3.0
   73    72    74    75   0.30150 -1.0 2.0
   73    72    74    77   0.30150 -1.0 2.0
   73    72    74    80   0.30150 -1.0 2.0
   74    75    46    38   0.56750  1.0 1.0
   74    75    46    38  -0.07550 -1.0 2.0
   74    75    46    38   0.20000  1.0 3.0
   74    75    46    47   0.15000  1.0 3.0
   74    75    46    48   0.15000  1.0 3.0
   74    75    82    83   0.15000  1.0 3.0
   74    75    82    84   0.15000  1.0 3.0
   74    75    82    85   0.15000  1.0 3.0
   74    77    86    87  -0.11600  1.0 1.0
   74    77    86    87  -0.09450 -1.0 2.0
   74    77    86    87   0.21250  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    86   0.86500  1.0 1.0
   75    74    77    86  -0.17500 -1.0 2.0
   75    74    77    86   0.20800  1.0 3.0
   75    74    80    81  -0.11600  1.0 1.0
   75    74    80    81  -0.09450 -1.0 2.0
   75    74    80    81   0.21250  1.0 3.0
   76    75    46    38   0.15000  1.0 3.0
   76    75    46    47   0.15000  1.0 3.0
   76    75    46    48   0.15000  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    85   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    75    82    83   0.15000  1.0 3.0
   46    75    82    84   0.15000  1.0 3.0
   46    75    82    85   0.15000  1.0 3.0
   82    75    46    38   0.56750  1.0 1.0
   82    75    46    38  -0.07550 -1.0 2.0
   82    75    46    38   0.20000  1.0 3.0
   82    75    46    47   0.15000  1.0 3.0
   82    75    46    48   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    46   0.56750  1.0 1.0
   77    74    75    46  -0.07550 -1.0 2.0
   77    74    75    46   0.20000  1.0 3.0
   77    74    75    82   0.56750  1.0 1.0
   77    74    75    82  -0.07550 -1.0 2.0
   77    74    75    82   0.20000  1.0 3.0
   77    74    80    81  -0.11600  1.0 1.0
   77    74    80    81  -0.09450 -1.0 2.0
   77    74    80    81   0.21250  1.0 3.0
   78    77    86    87   0.19450  1.0 3.0
   79    77    86    87   0.19450  1.0 3.0
   80    74    75    76   0.23400  1.0 3.0
   80    74    75    46   0.86500  1.0 1.0
   80    74    75    46  -0.17500 -1.0 2.0
   80    74    75    46   0.20800  1.0 3.0
   80    74    75    82   0.86500  1.0 1.0
   80    74    75    82  -0.17500 -1.0 2.0
   80    74    75    82   0.20800  1.0 3.0
   80    74    77    78   0.23400  1.0 3.0
   80    74    77    79   0.23400  1.0 3.0
   80    74    77    86   3.75450  1.0 1.0
   69    50    52    53   0.15000  1.0 3.0
   69    50    52    54   0.15000  1.0 3.0
   69    50   -52    55   0.56750  1.0 1.0
   69    50   -52    55  -0.07550 -1.0 2.0
   69    50   -52    55   0.20000  1.0 3.0
   69    58    60    61   0.35400  1.0 3.0
   69    58    60    62   0.35400  1.0 3.0
   69    58   -60    63   0.08000 -1.0 2.0
   69    65    66    67   0.34800  1.0 3.0
   69    65    66    68   0.34800  1.0 3.0
   69    65    66    71   0.09700  1.0 1.0
   69    65    66    71   0.15600 -1.0 2.0
   69    65    66    71  -0.50800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   60    64    63    65   1.10000 -1.0 2.0
   66    69    65    63   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
END
