* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    163    253     478
    1     0 S   NP   _N1_     1    29.19794    95.02196   -25.14373
    2     1 S   H    _HN1     2     1.02782   111.68158  -116.79724
    3     1 S   H    _H1_     3     1.02966    88.16288    -7.83812
    4     1 S   H    _H2_     4     1.02830    19.28519   160.94669
    5     1 S   CT   _CA1     5     1.50130   122.82227   105.38176
    6     5 S   HC   _HA1     6     1.09575   105.25065    76.11326
    7     5 S   CO3  _C1_     7     1.53776   112.33883   -44.11461
    8     7 S   O2Z  _O11     8     1.26357   115.01330   -45.44715
    9     7 S   O2Z  _O12     9     1.26238   114.91495   133.69270
   10     5 S   CT   _CB1    10     1.53059   107.36311  -166.04097
   11    10 S   HC   HB11    11     1.09832   109.27455   -51.18112
   12    10 S   HC   HB12    12     1.09830   110.42674    65.27657
   13    10 S   CT   _CG1    13     1.53053   112.77305  -172.35224
   14    13 S   HC   HG11    14     1.09590   110.44158   -63.51234
   15    13 S   HC   HG12    15     1.09633   110.09856    55.83049
   16    13 S   C    _CD1    16     1.51734   112.01856   176.02743
   17    16 S   O    _OE1    17     1.22779   123.11180    -5.51882
   18    16 S   N    _N2_    18     1.38538   111.99677   174.93322
   19    18 S   H    _HN2    19     1.01574   119.21487     4.16490
   20    18 S   CT1  _CA2    20     1.45742   122.61246  -179.77445
   21    20 S   HC   _HA2    21     1.09290   109.55175    26.50457
   22    20 S   C    _C2_    22     1.52725   105.23333   -90.43133
   23    22 S   O    _O2_    23     1.22975   122.58310   -75.05406
   24    20 S   CT   _CB2    32     1.53098   112.03488   149.79888
   25    24 S   HC   HB21    33     1.09640   110.23513    56.67599
   26    24 S   HC   HB22    34     1.09584   110.57460   174.09867
   27    22 S   N    _N3_    24     1.38507   112.80641   100.97409
   28    27 S   H    _HN3    25     1.01629   120.20435    -0.67984
   29    24 S   S    _SG2    35     1.83048   114.31254   -63.04649
   30    27 S   CT   _CA3    26     1.45305   122.68075  -178.25191
   31    30 S   HC   HA31    27     1.09565   107.68955   -56.90185
   32    30 S   HC   HA32    28     1.09557   107.71328    59.41347
   33    29 S   CT   _C13    36     1.82816   100.02915   -66.68871
   34    33 S   HC   _H7_    37     1.09588   109.20847   -36.31286
   35    30 S   CO3  _C3_    29     1.52926   114.29407  -179.03409
   36    35 S   O2Z  _O31    30     1.26381   116.13433    -7.26409
   37    35 S   O2Z  _O32    31     1.26410   114.44537   172.81220
   38    33 S   CM   _C14    38     1.50003   109.65774  -157.13244
   39    33 S   OS   _O35    53     1.43806   110.02358    82.02447
   40    38 S   CMA  _C15    39     1.34711   130.07541    88.57112
   41    40 S   OM   _O37    40     1.26238   127.72623    -7.08527
   42    40 S   OS   _O36    41     1.42543   109.64919   171.49379
   43    42 S   CT   _C9_    42     1.43394   107.52031    -8.74956
   44    43 S   HC   _H3_    43     1.09498   109.52066   135.47233
   45    43 S   CM   _C8_    44     1.49708   111.42555  -101.47316
   46    45 S   HC   _H18    45     1.08092   123.04773   -58.11203
   47    45 S   CM   _C7_    46     1.34004   112.21785   122.33344
   48    47 S   CT   _C11    47     1.51161   111.79282    -0.26020
   49    48 S   HC   _H5_    48     1.09828   108.38706   109.83606
   50    47 S   CT   _C6_    77     1.49247   126.30561   179.62206
   51    50 S   HC   _H16    78     1.09607   109.35466   112.07245
   52    50 S   HC   _H17    79     1.09549   111.15475    -7.97304
   53    38 S   CT   _C10    49     1.48489   117.08922  -101.87485
   54    53 S   HC   _H4_    50     1.09572   110.97780    74.49736
   55    48 S   CO   _C12    51     1.54353   114.13985  -126.86833
   56    55 S   HC   _H6_    52     1.09882   111.12629    30.20050
   57    50 S   OS   _O34    80     1.43626   108.50172  -126.78263
   58    55 S   OS1  _O38    54     1.43309   107.58624   -88.74792
   59    57 S   CO4  _C5_    81     1.36186   116.18929  -156.29762
   60    59 S   O    _O33    82     1.22330   126.47464    -3.02808
   61    58 S   CO1  _C16    55     1.43119   112.55887   173.62772
   62    61 S   HC   _H8_    56     1.09593   108.68002    50.97628
   63    59 S   CT   _C4_    83     1.49832   109.48170   176.79955
   64    63 S   HC   _H13    84     1.09306   109.77511   -60.79913
   65    63 S   HC   _H14    85     1.09378   109.35668  -179.75691
   66    63 S   HC   _H15    86     1.09282   109.86643    61.13185
   67    61 S   CT   _C17    57     1.53217   107.91729   170.18827
   68    67 S   HC   _H9_    58     1.09661   110.11155    55.42893
   69    67 S   CT   _C18    59     1.53131   110.67409   177.23572
   70    69 S   HC   _H10    60     1.09638   110.18818    73.78884
   71    67 S   OH5  _O43    75     1.42915   110.27469   -61.63677
   72    71 S   HO   _H24    76     0.97473   107.82924   -55.46553
   73    69 S   CT   _C19    61     1.53313   111.46143   -49.09380
   74    73 S   HC   _H11    62     1.09710   108.88959   -72.84200
   75    69 S   OH5  _O42    73     1.43053   109.43795  -170.47922
   76    75 S   HO   _H23    74     0.97223   108.06352    62.23664
   77    73 S   CT   _C20    63     1.53331   111.18384    48.36788
   78    77 S   HC   _H12    64     1.09763   111.14910    65.46254
   79    73 S   OH5  _O41    71     1.42599   109.60215   170.53851
   80    79 S   HO   _H22    72     0.97726   107.98169   -62.06191
   81    61 S   OS1  _O39    65     1.42854   111.04782   -69.93230
   82    77 S   CT   _C21    66     1.52916   111.53432  -173.80407
   83    82 S   HC   _H19    67     1.09499   111.00811    68.97475
   84    82 S   HC   _H20    68     1.09402   111.50240   -53.42210
   85    82 S   OH5  _O40    69     1.42519   109.05984  -172.40930
   86    85 S   HO   _H21    70     0.97220   107.02068  -179.18771
  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   7   5   4   3
  13   5   2   1   1  13   9   8   3   8  10   6  11   4  12  11
   6   8   3   2   4   1   6   2   6   8   5   4  13   6   3   2
   1   1  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    53    55    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    43    48    53    54    55    56    39    58  
   38    40    53    55    39  
   36    37  
   37  
    0  
   40    41    42    43    44    45    47    48    49    53    54    55    39  
   58    61    40    47    48    49    53    55    56  
   41    42    43    44    45    48    53    54  
   42    43    53  
   43    44    45    46    47    48    53    54  
   44    45    46    47    48    49    53    54    55    50  
   45    46    47    48    53    54  
   46    47    48    49    53    54    55    50    51    52    57  
   47    48    53    50  
   48    49    53    54    55    56    58    50    51    52    57    59  
   49    53    54    55    56    58    61    50    51    52    57  
   53    54    55    56    58    50  
   51    52    57    59    60    63    53    55  
   52    57    59  
   57    59  
   54    55    56    58  
   55  
   56    58    61    62    67    81  
   58    61  
   59    60    63    64    65    66  
   61    62    67    68    69    77    81    71  
   60    63    64    65    66  
   63    64    65    66  
   62    67    68    69    70    73    77    78    81    82    75    71    72  
   67    68    69    77    81    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    53   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    53   268.000  1.529
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   317.000  1.510
   47    50   317.000  1.510
   48    49   340.000  1.090
   48    53   268.000  1.529
   48    55   250.000  1.527
   53    54   340.000  1.090
   55    56   340.000  1.090
   55    39   320.000  1.380
   55    58   320.000  1.380
   58    61   370.000  1.399
   61    62   360.000  1.097
   61    67   255.000  1.525
   61    81   370.000  1.399
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   320.000  1.410
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    53    65.00000  117.92700
   33    39    55    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   38    53    43    70.00000  112.02700
   38    53    48    70.00000  112.02700
   38    53    54    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    53    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    47    70.00000  124.00000
   43    53    48    58.35000  112.70000
   43    53    54    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    47    48    70.00000  124.00000
   45    47    50    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    48    49    35.00000  109.50000
   47    48    53    70.00000  112.02700
   47    48    55    70.00000  112.02700
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    85.00000  110.90400
   48    53    54    37.50000  110.70000
   48    55    56    45.00000  112.01100
   48    55    39    90.00000  108.56700
   48    55    58    90.00000  108.56700
   53    38    40    70.00000  124.00000
   53    43    44    37.50000  110.70000
   53    43    45    70.00000  112.02700
   53    48    49    37.50000  110.70000
   55    48    49    45.00000  108.72000
   55    48    53    75.00000  109.43000
   55    58    61    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    55    56    35.00000  109.50000
   58    55    56    35.00000  109.50000
   58    55    39    92.60000  111.55000
   58    61    62    60.00000  105.75400
   58    61    67    90.00000  109.70700
   58    61    81   110.00000  113.16000
   61    67    68    45.00000  109.54000
   61    67    69    70.00000  111.10000
   61    67    71    90.00000  109.42000
   61    81    77    90.00000  112.10700
   67    61    62    45.00000  111.65000
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    90.00000  111.45300
   67    71    72    65.00000  108.53500
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    61    62    60.00000  105.75400
   81    61    67    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    67    68    60.00000  109.39000
   71    67    69    90.00000  111.45300
   50    47    48    65.00000  117.92700
   50    57    59    83.00000  116.90000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    59    60    83.00000  123.40000
   57    59    63    81.00000  111.40000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   63    59    60    80.00000  120.40000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    53   0.30250  1.0 1.0
   29    33    38    53  -0.14950 -1.0 2.0
   29    33    38    53   0.36900  1.0 3.0
   29    33    39    55   0.14700  1.0 1.0
   29    33    39    55  -1.16150 -1.0 2.0
   29    33    39    55   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    38    53    43   0.46850  1.0 1.0
   33    38    53    43   0.08550 -1.0 2.0
   33    38    53    43   0.09800  1.0 3.0
   33    38    53    48   0.46850  1.0 1.0
   33    38    53    48   0.08550 -1.0 2.0
   33    38    53    48   0.09800  1.0 3.0
   33    38    53    54   0.34800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    53   0.34800  1.0 3.0
   34    33    39    55   0.37050  1.0 3.0
   38    33    39    55  -0.77900  1.0 1.0
   38    33    39    55  -0.36900 -1.0 2.0
   38    33    39    55   0.40400  1.0 3.0
   38    40   -42    43  -2.26850  1.0 1.0
   38    40   -42    43   3.39050 -1.0 2.0
   40    38   -53    43   0.09850  1.0 1.0
   40    38   -53    43   0.15250 -1.0 2.0
   40    38   -53    43  -0.50650  1.0 3.0
   40    38    53    48   0.09850  1.0 1.0
   40    38    53    48   0.15250 -1.0 2.0
   40    38    53    48  -0.50650  1.0 3.0
   40    38    53    54   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    53  -0.46850  1.0 1.0
   40    42   -43    53   0.09300 -1.0 2.0
   40    42   -43    53  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.39000  1.0 1.0
   42    43    45    47  -0.05800 -1.0 2.0
   42    43    45    47  -0.55150  1.0 3.0
   42    43   -53    38   0.61850  1.0 1.0
   42    43   -53    38  -0.22750 -1.0 2.0
   42    43   -53    38   0.15300  1.0 3.0
   42    43    53    48   0.62750  1.0 1.0
   42    43    53    48  -0.30950 -1.0 2.0
   42    43    53    48   0.27300  1.0 3.0
   42    43    53    54   0.23400  1.0 3.0
   43    45   -47    48   7.00000 -1.0 2.0
   43    45    47    50   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    53    38   0.15000  1.0 3.0
   44    43    53    48   0.15000  1.0 3.0
   44    43    53    54   0.15000  1.0 3.0
   45    43    53    38   0.31000  1.0 1.0
   45    43    53    38   0.14700 -1.0 2.0
   45    43    53    38   0.07550  1.0 3.0
   45    43   -53    48   0.34400  1.0 1.0
   45    43   -53    48   0.09450 -1.0 2.0
   45    43   -53    48   0.11100  1.0 3.0
   45    43    53    54   0.15000  1.0 3.0
   45    47    48    49   0.00000  1.0 1.0
   45    47   -48    53   0.09850  1.0 1.0
   45    47   -48    53   0.15250 -1.0 2.0
   45    47   -48    53  -0.50650  1.0 3.0
   45    47    48    55   0.09850  1.0 1.0
   45    47    48    55   0.15250 -1.0 2.0
   45    47    48    55  -0.50650  1.0 3.0
   45    47    50    51   0.00000  1.0 1.0
   45    47    50    52   0.00000  1.0 1.0
   45    47    50    57   0.39000  1.0 1.0
   45    47    50    57  -0.05800 -1.0 2.0
   45    47    50    57  -0.55150  1.0 3.0
   46    45    47    48   7.00000 -1.0 2.0
   46    45    47    50   7.00000 -1.0 2.0
   47    48    53    38   0.31000  1.0 1.0
   47    48    53    38   0.14700 -1.0 2.0
   47    48    53    38   0.07550  1.0 3.0
   47    48   -53    43   0.34400  1.0 1.0
   47    48   -53    43   0.09450 -1.0 2.0
   47    48   -53    43   0.11100  1.0 3.0
   47    48    53    54   0.15000  1.0 3.0
   47    48    55    56   0.15000  1.0 3.0
   47    48    55    39   0.61850  1.0 1.0
   47    48    55    39  -0.22750 -1.0 2.0
   47    48    55    39   0.15300  1.0 3.0
   47    48    55    58   0.61850  1.0 1.0
   47    48    55    58  -0.22750 -1.0 2.0
   47    48    55    58   0.15300  1.0 3.0
   47    50    57    59  -0.82050  1.0 1.0
   47    50    57    59   0.00600 -1.0 2.0
   47    50    57    59   0.04400  1.0 3.0
   48    47    50    51   0.34800  1.0 3.0
   48    47    50    52   0.34800  1.0 3.0
   48    47    50    57   0.09700  1.0 1.0
   48    47    50    57   0.15600 -1.0 2.0
   48    47    50    57  -0.50800  1.0 3.0
   48    55   -39    33   0.06250  1.0 1.0
   48    55   -39    33  -0.01100 -1.0 2.0
   48    55   -39    33   0.28050  1.0 3.0
   48    55    58    61   0.06250  1.0 1.0
   48    55    58    61  -0.01100 -1.0 2.0
   48    55    58    61   0.28050  1.0 3.0
   49    48    53    38   0.15000  1.0 3.0
   49    48    53    43   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    39   0.23400  1.0 3.0
   49    48    55    58   0.23400  1.0 3.0
   53    38    40    41   7.00000 -1.0 2.0
   53    38   -40    42   7.00000 -1.0 2.0
   53    43    45    46   0.00000  1.0 1.0
   53    43   -45    47   0.09850  1.0 1.0
   53    43   -45    47   0.15250 -1.0 2.0
   53    43   -45    47  -0.50650  1.0 3.0
   53    48    55    56   0.15000  1.0 3.0
   53    48    55    39   0.62750  1.0 1.0
   53    48    55    39  -0.30950 -1.0 2.0
   53    48    55    39   0.27300  1.0 3.0
   53    48    55    58   0.62750  1.0 1.0
   53    48    55    58  -0.30950 -1.0 2.0
   53    48    55    58   0.27300  1.0 3.0
   55    48   -53    38   0.34400  1.0 1.0
   55    48   -53    38   0.09450 -1.0 2.0
   55    48   -53    38   0.11100  1.0 3.0
   55    48    53    43   3.97050  1.0 1.0
   55    48    53    54   0.15000  1.0 3.0
   55    58    61    62   0.37050  1.0 3.0
   55    58    61    67   0.06250  1.0 1.0
   55    58    61    67  -0.01100 -1.0 2.0
   55    58    61    67   0.28050  1.0 3.0
   55    58    61    81  -0.12700  1.0 1.0
   55    58    61    81  -1.16200 -1.0 2.0
   55    58    61    81   0.58800  1.0 3.0
   56    55    39    33   0.37050  1.0 3.0
   56    55    58    61   0.37050  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33   -38    53   0.09700  1.0 1.0
   39    33   -38    53   0.15600 -1.0 2.0
   39    33   -38    53  -0.50800  1.0 3.0
   39    55    58    61  -0.53350  1.0 1.0
   39    55    58    61  -0.78350 -1.0 2.0
   39    55    58    61   0.33750  1.0 3.0
   58    55    39    33  -0.81800  1.0 1.0
   58    61    67    68   0.23400  1.0 3.0
   58    61    67    69   0.62750  1.0 1.0
   58    61    67    69  -0.30950 -1.0 2.0
   58    61    67    69   0.27300  1.0 3.0
   58    61    67    71   1.51850  1.0 1.0
   58    61    81    77  -0.70400  1.0 1.0
   58    61    81    77  -0.90350 -1.0 2.0
   61    67    69    70   0.15000  1.0 3.0
   61    67    69    73   0.56750  1.0 1.0
   61    67    69    73  -0.07550 -1.0 2.0
   61    67    69    73   0.20000  1.0 3.0
   61    67    69    75  -0.47750  1.0 1.0
   61    67    71    72   0.29150  1.0 1.0
   61    67    71    72  -0.28350 -1.0 2.0
   61    67    71    72   0.43600  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    71   0.23400  1.0 3.0
   62    61    81    77   0.37050  1.0 3.0
   67    61    81    77   0.06250  1.0 1.0
   67    61    81    77  -0.01100 -1.0 2.0
   67    61    81    77   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.56750  1.0 1.0
   67    69   -73    77  -0.07550 -1.0 2.0
   67    69   -73    77   0.20000  1.0 3.0
   67    69    73    79  -0.47750  1.0 1.0
   67    69    75    76   0.29150  1.0 1.0
   67    69    75    76  -0.28350 -1.0 2.0
   67    69    75    76   0.43600  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72   0.29150  1.0 1.0
   69    67    71    72  -0.28350 -1.0 2.0
   69    67    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    61   0.06250  1.0 1.0
   73    77   -81    61  -0.01100 -1.0 2.0
   73    77   -81    61   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    61   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    61    67    68   0.23400  1.0 3.0
   81    61   -67    69   0.62750  1.0 1.0
   81    61   -67    69  -0.30950 -1.0 2.0
   81    61   -67    69   0.27300  1.0 3.0
   81    61    67    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    61   0.06250  1.0 1.0
   82    77    81    61  -0.01100 -1.0 2.0
   82    77    81    61   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73  -0.47750  1.0 1.0
   71    67    69    75   3.77950  1.0 1.0
   50    47    48    49   0.34800  1.0 3.0
   50    47    48    53   0.46850  1.0 1.0
   50    47    48    53   0.08550 -1.0 2.0
   50    47    48    53   0.09800  1.0 3.0
   50    47    48    55   0.46850  1.0 1.0
   50    47    48    55   0.08550 -1.0 2.0
   50    47    48    55   0.09800  1.0 3.0
   50    57    59    60   3.00000 -1.0 2.0
   50    57    59    63   1.63150  1.0 1.0
   50    57    59    63   2.92000 -1.0 2.0
   51    50    57    59   0.08050  1.0 3.0
   52    50    57    59   0.08050  1.0 3.0
   57    59    63    64   0.00000  1.0 1.0
   57    59    63    65   0.00000  1.0 1.0
   57    59    63    66   0.00000  1.0 1.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    66   0.00000  1.0 1.0
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
   33    53    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   43    46    45    47   1.10000 -1.0 2.0
   48    50    47    45   1.10000 -1.0 2.0
   57    63    59    60  10.50000 -1.0 2.0
END
