* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    172    272     516
    1     0 S   NP   _N1_     1    29.18043    96.68991   -18.91328
    2     1 S   H    _HN1     2     1.02936    77.50179     4.18610
    3     1 S   H    _H1_     3     1.02841    48.41792   130.68505
    4     1 S   H    _H2_     4     1.02782    82.06298  -106.74852
    5     1 S   CT   _CA1     5     1.50256   158.72761   118.84510
    6     5 S   HC   _HA1     6     1.09545   105.07421    69.24808
    7     5 S   CO3  _C1_     7     1.54120   112.54934   -50.75317
    8     7 S   O2Z  _O11     8     1.26489   115.06527   -28.45881
    9     7 S   O2Z  _O12     9     1.26234   115.32739   150.70985
   10     5 S   CT   _CB1    10     1.53225   107.41021  -172.26148
   11    10 S   HC   HB11    11     1.09819   110.14039   -38.85189
   12    10 S   HC   HB12    12     1.09806   110.04451    77.93736
   13    10 S   CT   _CG1    13     1.53034   112.61528  -159.53385
   14    13 S   HC   HG11    14     1.09436   110.67260   -55.35818
   15    13 S   HC   HG12    15     1.09648   109.87913    63.45782
   16    13 S   C    _CD1    16     1.51986   112.41969  -176.20357
   17    16 S   O    _OE1    17     1.22696   123.33527    -6.93986
   18    16 S   N    _N2_    18     1.38590   111.54339   173.41519
   19    18 S   H    _HN2    19     1.01562   118.75717     3.80375
   20    18 S   CT1  _CA2    20     1.46144   123.89197  -178.49286
   21    20 S   HC   _HA2    21     1.09718   109.56698    -3.13675
   22    20 S   C    _C2_    22     1.53519   107.86545  -118.62731
   23    22 S   O    _O2_    23     1.23015   122.31917  -142.34698
   24    20 S   CT   _CB2    32     1.53516   111.40781   119.24846
   25    24 S   HC   HB21    33     1.09557   110.41390    52.76248
   26    24 S   HC   HB22    34     1.09533   110.26900   170.69931
   27    22 S   N    _N3_    24     1.38533   113.41031    44.72852
   28    27 S   H    _HN3    25     1.01507   118.98756    -0.16669
   29    24 S   S    _SG2    35     1.83171   112.36569   -71.22410
   30    27 S   CT   _CA3    26     1.45458   123.45236   175.52311
   31    30 S   HC   HA31    27     1.09520   109.29835    23.55906
   32    30 S   HC   HA32    28     1.09499   107.10749   140.54379
   33    29 S   CT   _C20    36     1.84476   100.41893   125.62593
   34    33 S   HC   _H9_    37     1.09652   106.03060    43.08280
   35    30 S   CO3  _C3_    29     1.52909   113.05320   -99.97783
   36    35 S   O2Z  _O31    30     1.26405   115.35953   -46.12565
   37    35 S   O2Z  _O32    31     1.26350   115.01783   134.81100
   38    33 S   CT   _C7_    38     1.55185   112.28172   -76.22425
   39    38 S   HC   _H4_    39     1.09287   108.45812    44.74391
   40    33 S   CT   _C21    85     1.53083   108.10736   157.63473
   41    40 S   HC   _H29    86     1.09542   112.42997    61.19373
   42    40 S   HC   _H30    87     1.09628   110.93815   -59.54716
   43    40 S   HC   _H31    88     1.09468   110.95223  -178.12591
   44    38 S   CO4  _C8_    40     1.53076   111.31850   -70.87847
   45    44 S   O    _O33    41     1.22767   121.89823    71.37025
   46    38 S   CT   _C6_    70     1.54494   110.64515   160.44510
   47    46 S   HC   _H13    71     1.09812   109.19264   -47.00009
   48    46 S   HC   _H14    72     1.09405   108.06464    67.54081
   49    44 S   OS   _O34    42     1.36858   113.63724  -107.10292
   50    49 S   CT   _C9_    43     1.42810   114.91190  -178.66940
   51    50 S   HC   _H5_    44     1.09823   109.29219    31.85921
   52    50 S   CT   _C10    45     1.51652   112.03458   -88.34184
   53    52 S   HC   _H15    46     1.09447   112.46928    68.58682
   54    52 S   HC   _H16    47     1.09552   111.12764   -51.06618
   55    52 S   CT   _C11    48     1.51430   102.52349  -170.94813
   56    55 S   HC   _H17    49     1.09322   113.59088   155.63400
   57    55 S   HC   _H18    50     1.09510   111.65374   -79.52747
   58    55 S   NP   _N4_    51     1.52014   104.84294    35.03639
   59    58 S   H    _H6_    52     1.02997   108.46005  -131.30488
   60    58 S   CT   _C15    53     1.50525   114.42923   106.40642
   61    60 S   HC   _H21    54     1.09533   106.57631   152.07668
   62    60 S   HC   _H22    55     1.09311   110.26128    33.04870
   63    60 S   CT   _C14    56     1.50994   103.46173   -89.87095
   64    63 S   HC   _H19    57     1.09553   110.96813    78.50459
   65    63 S   HC   _H20    58     1.09458   111.61295  -161.25146
   66    63 S   CT   _C13    59     1.52466   102.83315   -40.84277
   67    66 S   HC   _H8_    60     1.10148   107.13867   -75.00045
   68    66 S   CT   _C16    61     1.51812   112.23920   168.68568
   69    68 S   HC   _H23    62     1.09566   111.25887   -62.23901
   70    68 S   HC   _H24    63     1.09689   109.39307    57.68108
   71    50 S   CT   _C12    83     1.53310   116.40676   152.00970
   72    71 S   HC   _H7_    84     1.09682   109.69725   -88.52683
   73    68 S   OS   _O35    64     1.43125   108.60253   177.36470
   74    73 S   CO4  _C17    65     1.36432   115.53824  -170.84964
   75    74 S   O    _O36    66     1.22475   125.57404    12.38854
   76    74 S   CT   _C18    67     1.53048   110.01686  -165.11382
   77    76 S   CT   _C5_    68     1.56099   110.52826    52.07646
   78    77 S   HC   _H3_    69     1.09636   108.02881   -64.93737
   79    76 S   CT   _C19    77     1.53063   108.46163   -72.64980
   80    79 S   HC   _H25    78     1.09481   111.61115  -166.26242
   81    79 S   HC   _H26    79     1.09502   111.68599    71.48492
   82    79 S   HC   _H27    80     1.09682   110.70308   -48.38346
   83    76 S   OH   _O37    81     1.42734   107.43429   170.60694
   84    83 S   HO   _H28    82     0.97305   108.01597    60.15359
   85    77 S   CT   _C4_    73     1.53784   111.79826   177.79265
   86    85 S   HC   _H10    74     1.09482   111.55437   -62.45837
   87    85 S   HC   _H11    75     1.09352   111.53159   176.94995
   88    85 S   HC   _H12    76     1.09400   111.29091    58.41431
  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  16   8  11   6   5  11   5   4  12   7  10   6   5  10   5
   4   8   6   8   4   3   2   1   6  11   4  12  11   6   6   3
   2   1   2   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    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    77    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    76    77    78    46    47    48    85    40    41    42    43  
   44    45    49    77    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    77    46    47    48    71  
   49    50    46  
   47    48    85    86    87    88    79    83    49    74    76    77    78  
   48    85    76    77    78  
   85    76    77    78  
   50    51    52    53    54    55    58    66    71    72  
   51    52    53    54    55    56    57    58    59    60    63    66    67    68    71    72  
   52    53    54    55    58    66    71    72  
   53    54    55    56    57    58    59    60    66    71    72  
   54    55    56    57    58    71  
   55    56    57    58    71  
   56    57    58    59    60    61    62    63    66    71    72  
   57    58    59    60    71  
   58    59    60    71  
   59    60    61    62    63    64    65    66    67    68    71    72  
   60    61    62    63    66    71    72  
   61    62    63    64    65    66    67    68    71    72  
   62    63    64    65    66    71  
   63    64    65    66    71  
   64    65    66    67    68    69    70    73    71    72  
   65    66    67    68    71  
   66    67    68    71  
   67    68    69    70    73    74    71    72  
   68    69    70    73    71    72  
   69    70    73    74    75    76    71    72  
   70    73    74    71  
   73    74    71  
   72    73  
    0  
   74    75    76    77    79    83  
   75    76    77    78    85    79    80    81    82    83    84  
   76    77    79    83  
   77    78    85    86    87    88    79    80    81    82    83    84  
   78    85    86    87    88    79    80    81    82    83    84  
   85    86    87    88    79    83  
   80    81    82    83    84    85  
   81    82    83  
   82    83  
   83  
   84    85  
    0  
   86    87    88  
   87    88  
   88  
    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   0.150000   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   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   59   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    71   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   367.000  1.471
   58    59   434.000  1.010
   58    60   367.000  1.471
   58    71   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   268.000  1.529
   76    79   268.000  1.529
   76    83   320.000  1.410
   77    78   340.000  1.090
   77    46   268.000  1.529
   77    85   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   71    72   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    77    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    71    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    71    58    80.00000  111.20000
   50    71    66    58.35000  112.70000
   50    71    72    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  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  113.01200
   55    58    71    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    80.00000  111.20000
   58    71    66    80.00000  111.20000
   58    71    72    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    71    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    73    50.00000  109.50000
   66    71    72    37.50000  110.70000
   68    66    67    37.50000  110.70000
   68    73    74    83.00000  116.90000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    63.00000  111.10000
   74    76    79    63.00000  111.10000
   74    76    83    90.00000  109.61100
   76    74    75    80.00000  120.40000
   76    77    78    37.50000  110.70000
   76    77    46    58.35000  112.70000
   76    77    85    58.35000  112.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   76    83    84    55.00000  108.50000
   77    46    47    37.50000  110.70000
   77    46    48    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    77    78    37.50000  110.70000
   48    46    47    33.00000  107.80000
   85    77    78    37.50000  110.70000
   85    77    46    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   79    76    77    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    77    50.00000  109.50000
   83    76    79    50.00000  109.50000
   71    50    51    37.50000  110.70000
   71    50    52    58.35000  112.70000
   71    58    59    35.00000  109.50000
   71    58    60    75.00000  113.01200
   71    66    67    37.50000  110.70000
   71    66    68    58.35000  112.70000
   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    77   0.56750  1.0 1.0
   33    38    46    77  -0.07550 -1.0 2.0
   33    38    46    77   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    77   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    77  -0.95700  1.0 1.0
   44    38    46    77  -0.18200 -1.0 2.0
   44    38    46    77   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    71  -0.25900  1.0 1.0
   44    49    50    71  -0.47000 -1.0 2.0
   44    49    50    71   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    71    58   1.69300  1.0 1.0
   49    50    71    58  -0.48450 -1.0 2.0
   49    50    71    66   0.62750  1.0 1.0
   49    50    71    66  -0.30950 -1.0 2.0
   49    50    71    66   0.27300  1.0 3.0
   49    50    71    72   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    71    58   0.19200  1.0 3.0
   51    50    71    66   0.15000  1.0 3.0
   51    50    71    72   0.15000  1.0 3.0
   52    50   -71    58   1.36600  1.0 1.0
   52    50   -71    58  -0.11450 -1.0 2.0
   52    50   -71    58   0.24250  1.0 3.0
   52    50    71    66   0.56750  1.0 1.0
   52    50    71    66  -0.07550 -1.0 2.0
   52    50    71    66   0.20000  1.0 3.0
   52    50    71    72   0.15000  1.0 3.0
   52    55    58    59   0.17350  1.0 3.0
   52    55    58    60   0.47100  1.0 1.0
   52    55   -58    71   0.47100  1.0 1.0
   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   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.47100  1.0 1.0
   55    58   -71    50   0.47100  1.0 1.0
   55    58    71    66   0.47100  1.0 1.0
   55    58    71    72   0.15000  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    71   0.15000  1.0 3.0
   57    55    58    59   0.13050  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    71   0.15000  1.0 3.0
   58    60    63    64   0.19200  1.0 3.0
   58    60    63    65   0.19200  1.0 3.0
   58    60   -63    66   1.36600  1.0 1.0
   58    60   -63    66  -0.11450 -1.0 2.0
   58    60   -63    66   0.24250  1.0 3.0
   59    58    60    61   0.13050  1.0 3.0
   59    58    60    62   0.13050  1.0 3.0
   59    58    60    63   0.17350  1.0 3.0
   59    58    71    50   0.17350  1.0 3.0
   59    58    71    66   0.17350  1.0 3.0
   59    58    71    72   0.13050  1.0 3.0
   60    58    71    50   0.47100  1.0 1.0
   60    58   -71    66   0.47100  1.0 1.0
   60    58    71    72   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.56750  1.0 1.0
   60    63    66    68  -0.07550 -1.0 2.0
   60    63    66    68   0.20000  1.0 3.0
   60    63   -66    71   0.56750  1.0 1.0
   60    63   -66    71  -0.07550 -1.0 2.0
   60    63   -66    71   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.15000  1.0 3.0
   63    66    68    73   0.62750  1.0 1.0
   63    66    68    73  -0.30950 -1.0 2.0
   63    66    68    73   0.27300  1.0 3.0
   63    66    71    50   0.56750  1.0 1.0
   63    66    71    50  -0.07550 -1.0 2.0
   63    66    71    50   0.20000  1.0 3.0
   63    66   -71    58   1.36600  1.0 1.0
   63    66   -71    58  -0.11450 -1.0 2.0
   63    66   -71    58   0.24250  1.0 3.0
   63    66    71    72   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    71   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    71   0.15000  1.0 3.0
   66    68    73    74  -0.25900  1.0 1.0
   66    68    73    74  -0.47000 -1.0 2.0
   66    68    73    74   0.11750  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.23400  1.0 3.0
   67    66    71    50   0.15000  1.0 3.0
   67    66    71    58   0.19200  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   68    66    71    50   0.56750  1.0 1.0
   68    66    71    50  -0.07550 -1.0 2.0
   68    66    71    50   0.20000  1.0 3.0
   68    66    71    58   1.36600  1.0 1.0
   68    66    71    58  -0.11450 -1.0 2.0
   68    66    71    58   0.24250  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    73    74    75   3.00000 -1.0 2.0
   68    73    74    76   1.63150  1.0 1.0
   68    73    74    76   2.92000 -1.0 2.0
   69    68    73    74   0.08050  1.0 3.0
   70    68    73    74   0.08050  1.0 3.0
   73    74    76    77   0.36750  1.0 3.0
   73    74    76    79   0.36750  1.0 3.0
   73    74    76    83   0.30750  1.0 1.0
   73    74    76    83   1.13850 -1.0 2.0
   73    74    76    83   0.38850  1.0 3.0
   74    76    77    78  -0.11250  1.0 3.0
   74    76    77    46  -0.95700  1.0 1.0
   74    76    77    46  -0.18200 -1.0 2.0
   74    76    77    46   0.29450  1.0 3.0
   74    76    77    85  -0.95700  1.0 1.0
   74    76    77    85  -0.18200 -1.0 2.0
   74    76    77    85   0.29450  1.0 3.0
   74    76    79    80  -0.11250  1.0 3.0
   74    76    79    81  -0.11250  1.0 3.0
   74    76    79    82  -0.11250  1.0 3.0
   74    76    83    84   0.91850  1.0 1.0
   74    76    83    84   0.57950  1.0 3.0
   75    74    76    77   0.30150 -1.0 2.0
   75    74    76    79   0.30150 -1.0 2.0
   75    74    76    83   0.30150 -1.0 2.0
   76    77    46    38   0.56750  1.0 1.0
   76    77    46    38  -0.07550 -1.0 2.0
   76    77    46    38   0.20000  1.0 3.0
   76    77    46    47   0.15000  1.0 3.0
   76    77    46    48   0.15000  1.0 3.0
   76    77    85    86   0.15000  1.0 3.0
   76    77    85    87   0.15000  1.0 3.0
   76    77    85    88   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   77    76    83    84  -0.11600  1.0 1.0
   77    76    83    84  -0.09450 -1.0 2.0
   77    76    83    84   0.21250  1.0 3.0
   78    77    46    38   0.15000  1.0 3.0
   78    77    46    47   0.15000  1.0 3.0
   78    77    46    48   0.15000  1.0 3.0
   78    77    85    86   0.15000  1.0 3.0
   78    77    85    87   0.15000  1.0 3.0
   78    77    85    88   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    77    85    86   0.15000  1.0 3.0
   46    77    85    87   0.15000  1.0 3.0
   46    77    85    88   0.15000  1.0 3.0
   85    77    46    38   0.56750  1.0 1.0
   85    77    46    38  -0.07550 -1.0 2.0
   85    77    46    38   0.20000  1.0 3.0
   85    77    46    47   0.15000  1.0 3.0
   85    77    46    48   0.15000  1.0 3.0
   79    76    77    78   0.15000  1.0 3.0
   79    76    77    46   0.56750  1.0 1.0
   79    76    77    46  -0.07550 -1.0 2.0
   79    76    77    46   0.20000  1.0 3.0
   79    76    77    85   0.56750  1.0 1.0
   79    76    77    85  -0.07550 -1.0 2.0
   79    76    77    85   0.20000  1.0 3.0
   79    76    83    84  -0.11600  1.0 1.0
   79    76    83    84  -0.09450 -1.0 2.0
   79    76    83    84   0.21250  1.0 3.0
   83    76    77    78   0.23400  1.0 3.0
   83    76    77    46   0.86500  1.0 1.0
   83    76    77    46  -0.17500 -1.0 2.0
   83    76    77    46   0.20800  1.0 3.0
   83    76    77    85   0.86500  1.0 1.0
   83    76    77    85  -0.17500 -1.0 2.0
   83    76    77    85   0.20800  1.0 3.0
   83    76    79    80   0.23400  1.0 3.0
   83    76    79    81   0.23400  1.0 3.0
   83    76    79    82   0.23400  1.0 3.0
   71    50    52    53   0.15000  1.0 3.0
   71    50    52    54   0.15000  1.0 3.0
   71    50   -52    55   0.56750  1.0 1.0
   71    50   -52    55  -0.07550 -1.0 2.0
   71    50   -52    55   0.20000  1.0 3.0
   71    58    60    61   0.15000  1.0 3.0
   71    58    60    62   0.15000  1.0 3.0
   71    58   -60    63   0.47100  1.0 1.0
   71    66    68    69   0.15000  1.0 3.0
   71    66    68    70   0.15000  1.0 3.0
   71    66    68    73   0.62750  1.0 1.0
   71    66    68    73  -0.30950 -1.0 2.0
   71    66    68    73   0.27300  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
   73    76    74    75  10.50000 -1.0 2.0
END
