* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    163    255     478
    1     0 S   NP   _N1_     1    28.64659    92.86296   -20.70718
    2     1 S   H    _HN1     2     1.02949    96.09592    18.59015
    3     1 S   H    _H1_     3     1.02842    24.74372   137.24705
    4     1 S   H    _H2_     4     1.02793    91.32584   -89.86146
    5     1 S   CT   _CA1     5     1.50102   135.32679   146.21606
    6     5 S   HC   _HA1     6     1.09606   105.17377    55.50316
    7     5 S   CO3  _C1_     7     1.53681   112.09583   -64.21916
    8     7 S   O2Z  _O11     8     1.26389   115.21062   -55.86723
    9     7 S   O2Z  _O12     9     1.26235   114.93936   123.35139
   10     5 S   CT   _CB1    10     1.53133   107.33608   172.75787
   11    10 S   HC   HB11    11     1.09818   108.97135   -54.32673
   12    10 S   HC   HB12    12     1.09811   110.65665    62.09792
   13    10 S   CT   _CG1    13     1.52981   112.64848  -175.58749
   14    13 S   HC   HG11    14     1.09476   110.14069   -67.50660
   15    13 S   HC   HG12    15     1.09658   110.08247    51.57069
   16    13 S   C    _CD1    16     1.51848   112.47734   171.72265
   17    16 S   O    _OE1    17     1.22736   123.21990    -5.13229
   18    16 S   N    _N2_    18     1.38658   111.73134   175.92090
   19    18 S   H    _HN2    19     1.01628   118.95358    -1.25492
   20    18 S   CT1  _CA2    20     1.46278   123.33800   176.83133
   21    20 S   HC   _HA2    21     1.09738   109.35168    -8.44687
   22    20 S   C    _C2_    22     1.53515   108.28035  -123.88394
   23    22 S   O    _O2_    23     1.23028   122.18191  -146.44362
   24    20 S   CT   _CB2    32     1.53335   111.79148   113.77863
   25    24 S   HC   HB21    33     1.09613   109.80093    54.80666
   26    24 S   HC   HB22    34     1.09514   110.55193   173.93680
   27    22 S   N    _N3_    24     1.38490   113.46417    40.92613
   28    27 S   H    _HN3    25     1.01518   118.91584    -0.92111
   29    24 S   S    _SG2    35     1.82518   111.89299   -66.13881
   30    27 S   CT   _CA3    26     1.45465   123.61883   175.25253
   31    30 S   HC   HA31    27     1.09510   109.44074    20.17259
   32    30 S   HC   HA32    28     1.09502   107.06732   137.19580
   33    29 S   CT   _C21    36     1.82814    98.95476   175.00621
   34    33 S   HC   _H3_    37     1.09543   108.46301   -35.01001
   35    33 S   HC   _H4_    38     1.09522   107.93140    81.08202
   36    30 S   CO3  _C3_    29     1.52912   112.98825  -103.45560
   37    36 S   O2Z  _O31    30     1.26412   115.36174   -45.59928
   38    36 S   O2Z  _O32    31     1.26349   115.01660   135.30520
   39    33 S   CT   _C22    39     1.53757   113.67774  -156.75150
   40    39 S   HC   _H49    40     1.09902   108.60782   179.04203
   41    39 S   CO4  _C9_    41     1.52440   109.98150    63.23674
   42    41 S   O    _O21    42     1.22300   125.10178  -109.33885
   43    39 S   CT   _C20    81     1.53115   113.08899   -61.89487
   44    43 S   HC   _H45    82     1.09494   110.66254   -46.01721
   45    43 S   HC   _H46    83     1.09463   112.53741    75.99348
   46    41 S   OS   _O27    43     1.36839   109.17179    69.09137
   47    43 S   OH   _O26    84     1.42484   109.02067  -164.08356
   48    47 S   HO   _H51    85     0.97258   106.99769  -178.33493
   49    46 S   CT   _C17    44     1.45999   117.81642  -170.46663
   50    49 S   HC   _H43    45     1.09426   109.31548   -27.21573
   51    49 S   CT   _C13    46     1.55091   102.36064    91.83143
   52    51 S   HC   _H38    47     1.09870   108.31414   -41.09539
   53    51 S   HC   _H39    48     1.09872   108.09794    70.77152
   54    49 S   CT   _C15    63     1.55735   107.30977  -145.77953
   55    54 S   HC   _H41    64     1.10000   108.42128   -70.94436
   56    51 S   C3T  _C19    49     1.50994   119.63520  -162.23732
   57    54 S   CM   _C6_    65     1.50954   119.02827    49.81519
   58    56 S   C3T  _C16    50     1.53817   117.12784  -122.70171
   59    58 S   HC   _H42    51     1.08294   119.11019     6.78148
   60    57 S   CO4  _C7_    66     1.48300   108.03439   154.88672
   61    60 S   O    _O20    67     1.21729   127.43286   164.17267
   62    57 S   CM   _C8_    69     1.33663   133.58433   -22.52653
   63    62 S   HC   _H30    70     1.08068   122.96546    -1.56710
   64    62 S   HC   _H31    71     1.08639   121.38005   178.52554
   65    56 S   CO   _C18    76     1.51781   118.99747    44.01879
   66    65 S   HC   _H44    77     1.09476   111.53974   163.22794
   67    58 S   CT   _C12    52     1.49839   121.24547   154.99701
   68    67 S   HC   _H36    53     1.09629   109.26206   160.04243
   69    67 S   HC   _H37    54     1.09537   111.55004    43.26149
   70    83 S   OS   _O22    68     1.44064   106.95048   129.47806
   71    65 S   OH   _O25    78     1.42742   108.45820    46.22462
   72    71 S   HO   _H50    79     0.97487   106.82050   147.66486
   73    56 S   O3T  _O24    80     1.45494   112.31177   174.72407
   74    67 S   CT   _C10    55     1.53890   110.77780   -79.71806
   75    74 S   HC   _H32    56     1.09783   108.67666   -77.66236
   76    74 S   HC   _H33    57     1.09596   110.45986   166.29659
   77    74 S   CM   _C5_    58     1.51381   110.69884    43.49932
   78    77 S   CM   _C4_    59     1.34879   119.47751  -100.63190
   79    78 S   HC   _H29    60     1.08899   118.70084    -6.83845
   80    77 S   CT   _C11    72     1.50910   115.86667    68.96008
   81    80 S   HC   _H34    73     1.09610   112.34056     7.46487
   82    80 S   HC   _H35    74     1.09589   109.04895   124.99887
   83    78 S   CT   _C14    61     1.49589   125.79915   168.19209
   84    83 S   HC   _H40    62     1.09644   111.69408    13.96993
   85    80 S   OS   _O23    75     1.42880   111.55466  -116.19888
  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
  11   5   4   2   1   1  10   7  10   3   5   3   2  10   1   1
  17   8  15   6   5  14   7  13   9  13   6   8   3   4   1   1
  10   5   9   6   5   5   4   1   2  10   4   3   8   7   3   4
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    43    44    45    47  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    49    43    44    45    47    48  
   41    42    46    43    44    45    47  
   42    46    49    50    51    54    43    44    45    47  
   46    49    43  
   44    45    47    48    46  
   45    47    48  
   47    48  
   49    50    51    52    53    56    83    54    55    57  
   48  
    0  
   50    51    52    53    56    58    78    83    84    54    55    57    60    70    62    65    73  
   51    52    53    56    83    54    55    57  
   52    53    56    58    59    67    83    54    55    57    85    65    66    71    73  
   53    56    58    54    65    73  
   56    58    54    65    73  
   55    57    60    61    70    62    63    64    56    77    78    79    83    84  
   57    60    70    62    78    83    84  
   58    59    67    68    69    74    80    85    65    66    71    72    73  
   60    61    70    62    63    64    78    83    84  
   59    67    68    69    74    75    76    77    85    65    66    71    73  
   67    68    69    74    65    73  
   61    70    62    63    64    78    83    84  
   70    62    83  
   63    64    70    83  
   64  
    0  
   66    71    72    73    67    77    80    81    82    85  
   71    72    73    80    85  
   68    69    74    75    76    77    78    80    73  
   69    74    75    76    77    73  
   74    75    76    77    73  
   77    78    79    83    84  
   72    73    80    85  
   85  
   74    85  
   75    76    77    78    79    83    80    81    82    85  
   76    77    78    80  
   77    78    80  
   78    79    83    84    80    81    82    85  
   79    83    84    80    81    82    85  
   83    84    80  
   81    82    85    83  
   82    85  
   85  
   84  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   275.000  1.510
   56    58   260.000  1.509
   56    65   275.000  1.510
   56    73   335.000  1.432
   58    59   340.000  1.088
   58    67   275.000  1.510
   58    73   335.000  1.432
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.510
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    83   317.000  1.510
   83    84   340.000  1.090
   83    54   268.000  1.529
   83    70   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    60   320.000  1.462
   57    62   549.000  1.340
   60    61   570.000  1.229
   60    70   214.000  1.327
   62    63   340.000  1.080
   62    64   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   320.000  1.410
   85    65   320.000  1.380
   65    66   340.000  1.090
   65    71   380.000  1.407
   71    72   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   320.000  1.410
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    46    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    47    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    46    49    83.00000  116.90000
   46    41    42    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    51    50.00000  109.50000
   46    49    54    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    70.00000  112.37300
   49    54    83    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    57    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    58    60.00000  120.94000
   51    56    65    75.00000  109.43000
   51    56    73    80.00000  116.47100
   53    51    52    33.00000  107.80000
   56    51    52    45.00000  109.38400
   56    51    53    45.00000  109.38400
   56    58    59    37.50000  117.20000
   56    58    67    60.00000  120.94000
   56    58    73    15.00000   60.43100
   56    65    85    90.00000  108.56700
   56    65    66    45.00000  112.01100
   56    65    71    90.00000  110.19100
   56    73    58    15.00000   59.14900
   58    67    68    45.00000  109.38400
   58    67    69    45.00000  109.38400
   58    67    74    70.00000  112.37300
   67    58    59    40.00000  115.04500
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    70.00000  112.02700
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    70.00000  124.00000
   74    77    80    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    78    79    35.00000  120.00000
   77    78    83    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    85    85.00000  110.90400
   78    83    84    35.00000  109.50000
   78    83    54    70.00000  112.02700
   78    83    70    85.00000  110.90400
   83    78    79    35.00000  117.00000
   83    54    55    37.50000  110.70000
   83    54    57    70.00000  112.02700
   83    70    60    83.00000  116.90000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    83    84    37.50000  110.70000
   54    57    60    65.00000  116.34900
   54    57    62    70.00000  124.00000
   57    54    55    35.00000  109.50000
   57    60    61    80.00000  123.72100
   57    60    70    90.00000  111.29400
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   70    83    84    35.00000  109.50000
   70    83    54    50.00000  109.50000
   70    60    61    83.00000  123.40000
   62    57    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   80    77    78    70.00000  124.00000
   80    85    65    60.00000  109.50000
   82    80    81    33.00000  107.80000
   85    80    81    35.00000  109.50000
   85    80    82    35.00000  109.50000
   85    65    66    35.00000  109.50000
   85    65    71   110.00000  112.08000
   65    56    58    60.00000  120.94000
   65    71    72    70.00000  107.92000
   71    65    66    60.00000  108.02500
   73    56    58    15.00000   60.43100
   73    56    65    80.00000  116.47100
   73    58    59    50.00000  114.27700
   73    58    67    80.00000  116.47100
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    46   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    47   0.86500  1.0 1.0
   33    39    43    47  -0.17500 -1.0 2.0
   33    39    43    47   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    46    49   1.63150  1.0 1.0
   39    41    46    49   2.92000 -1.0 2.0
   39    43    47    48  -0.11600  1.0 1.0
   39    43    47    48  -0.09450 -1.0 2.0
   39    43    47    48   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    46   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    47  -0.09450  1.0 1.0
   41    39    43    47  -1.12950 -1.0 2.0
   41    39    43    47   0.54000  1.0 3.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51  -0.25900  1.0 1.0
   41    46    49    51  -0.47000 -1.0 2.0
   41    46    49    51   0.11750  1.0 3.0
   41    46    49    54  -0.25900  1.0 1.0
   41    46    49    54  -0.47000 -1.0 2.0
   41    46    49    54   0.11750  1.0 3.0
   42    41    46    49   3.00000 -1.0 2.0
   46    49    51    52   0.23400  1.0 3.0
   46    49    51    53   0.23400  1.0 3.0
   46    49    51    56  -0.26800  1.0 1.0
   46    49    51    56   0.69150 -1.0 2.0
   46    49    51    56  -0.48750  1.0 3.0
   46    49    54    83   0.62750  1.0 1.0
   46    49    54    83  -0.30950 -1.0 2.0
   46    49    54    83   0.27300  1.0 3.0
   46    49    54    55   0.23400  1.0 3.0
   46    49    54    57   0.61850  1.0 1.0
   46    49    54    57  -0.22750 -1.0 2.0
   46    49    54    57   0.15300  1.0 3.0
   49    51    56    58   0.07850  1.0 1.0
   49    51    56    58  -0.03950 -1.0 2.0
   49    51    56    58   0.67350  1.0 3.0
   49    51    56    65   3.97050  1.0 1.0
   49    51    56    73   0.02550  1.0 1.0
   49    51    56    73  -0.02600 -1.0 2.0
   49    51    56    73   1.20400  1.0 3.0
   49    54    57    60   0.09700  1.0 1.0
   49    54    57    60   0.15600 -1.0 2.0
   49    54    57    60  -0.50800  1.0 3.0
   49    54    57    62   0.09850  1.0 1.0
   49    54    57    62   0.15250 -1.0 2.0
   49    54    57    62  -0.50650  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    83   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    83   0.56750  1.0 1.0
   51    49    54    83  -0.07550 -1.0 2.0
   51    49    54    83   0.20000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    57   0.34400  1.0 1.0
   51    49    54    57   0.09450 -1.0 2.0
   51    49    54    57   0.11100  1.0 3.0
   51    56    58    59   0.15000  1.0 3.0
   51    56    58    67   0.56750  1.0 1.0
   51    56    58    67  -0.07550 -1.0 2.0
   51    56    58    67   0.20000  1.0 3.0
   51    56   -58    73   0.02550  1.0 1.0
   51    56   -58    73  -0.02600 -1.0 2.0
   51    56   -58    73   1.20400  1.0 3.0
   51    56    65    85   0.62750  1.0 1.0
   51    56    65    85  -0.30950 -1.0 2.0
   51    56    65    85   0.27300  1.0 3.0
   51    56    65    66   0.15000  1.0 3.0
   51    56    65    71   0.86500  1.0 1.0
   51    56    65    71  -0.17500 -1.0 2.0
   51    56    65    71   0.20800  1.0 3.0
   51    56   -73    58   0.06250  1.0 1.0
   51    56   -73    58  -0.01100 -1.0 2.0
   51    56   -73    58   0.28050  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    65   0.15000  1.0 3.0
   52    51    56    73   0.23400  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    65   0.15000  1.0 3.0
   53    51    56    73   0.23400  1.0 3.0
   56    58    67    68   0.15000  1.0 3.0
   56    58    67    69   0.15000  1.0 3.0
   56    58    67    74   0.07850  1.0 1.0
   56    58    67    74  -0.03950 -1.0 2.0
   56    58    67    74   0.67350  1.0 3.0
   56    65    71    72  -0.11600  1.0 1.0
   56    65    71    72  -0.09450 -1.0 2.0
   56    65    71    72   0.21250  1.0 3.0
   58    56    65    85  -0.26800  1.0 1.0
   58    56    65    85   0.69150 -1.0 2.0
   58    56    65    85  -0.48750  1.0 3.0
   58    56    65    66   0.15000  1.0 3.0
   58    56    65    71   0.86500  1.0 1.0
   58    56    65    71  -0.17500 -1.0 2.0
   58    56    65    71   0.20800  1.0 3.0
   58    67    74    75   0.15000  1.0 3.0
   58    67    74    76   0.15000  1.0 3.0
   58    67    74    77   0.34400  1.0 1.0
   58    67    74    77   0.09450 -1.0 2.0
   58    67    74    77   0.11100  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    74   0.15000  1.0 3.0
   59    58   -73    56   0.36800  1.0 3.0
   67    58   -73    56   0.06250  1.0 1.0
   67    58   -73    56  -0.01100 -1.0 2.0
   67    58   -73    56   0.28050  1.0 3.0
   67    74    77    78   0.09850  1.0 1.0
   67    74    77    78   0.15250 -1.0 2.0
   67    74    77    78  -0.50650  1.0 3.0
   67    74    77    80   0.46850  1.0 1.0
   67    74    77    80   0.08550 -1.0 2.0
   67    74    77    80   0.09800  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77    78    79   7.00000 -1.0 2.0
   74    77    78    83   7.00000 -1.0 2.0
   74    77    80    81   0.34800  1.0 3.0
   74    77    80    82   0.34800  1.0 3.0
   74    77    80    85   0.09700  1.0 1.0
   74    77    80    85   0.15600 -1.0 2.0
   74    77    80    85  -0.50800  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    80   0.34800  1.0 3.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    80   0.34800  1.0 3.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    54   0.09850  1.0 1.0
   77    78    83    54   0.15250 -1.0 2.0
   77    78    83    54  -0.50650  1.0 3.0
   77    78    83    70   0.39000  1.0 1.0
   77    78    83    70  -0.05800 -1.0 2.0
   77    78    83    70  -0.55150  1.0 3.0
   77    80    85    65  -0.77900  1.0 1.0
   77    80    85    65  -0.36900 -1.0 2.0
   77    80    85    65   0.40400  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    85   0.39000  1.0 1.0
   78    77    80    85  -0.05800 -1.0 2.0
   78    77    80    85  -0.55150  1.0 3.0
   78    83    54    49   0.34400  1.0 1.0
   78    83    54    49   0.09450 -1.0 2.0
   78    83    54    49   0.11100  1.0 3.0
   78    83    54    55   0.15000  1.0 3.0
   78    83    54    57   0.31000  1.0 1.0
   78    83    54    57   0.14700 -1.0 2.0
   78    83    54    57   0.07550  1.0 3.0
   78    83    70    60  -0.82050  1.0 1.0
   78    83    70    60   0.00600 -1.0 2.0
   78    83    70    60   0.04400  1.0 3.0
   79    78    83    84   0.33100  1.0 3.0
   79    78    83    54   0.00000  1.0 1.0
   79    78    83    70   0.00000  1.0 1.0
   83    54   -57    60   0.09700  1.0 1.0
   83    54   -57    60   0.15600 -1.0 2.0
   83    54   -57    60  -0.50800  1.0 3.0
   83    54    57    62   0.09850  1.0 1.0
   83    54    57    62   0.15250 -1.0 2.0
   83    54    57    62  -0.50650  1.0 3.0
   84    83    54    49   0.15000  1.0 3.0
   84    83    54    55   0.15000  1.0 3.0
   84    83    54    57   0.15000  1.0 3.0
   84    83    70    60   0.08050  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    56   0.47050  1.0 1.0
   54    49    51    56   0.03900 -1.0 2.0
   54    49    51    56   0.20100  1.0 3.0
   54    83   -70    60  -0.25900  1.0 1.0
   54    83   -70    60  -0.47000 -1.0 2.0
   54    83   -70    60   0.11750  1.0 3.0
   54    57    60    61  -0.64400  1.0 1.0
   54    57    60    61   0.26850 -1.0 2.0
   54    57   -60    70  -0.15000  1.0 1.0
   54    57   -60    70   0.89550 -1.0 2.0
   54    57   -60    70  -0.06900  1.0 3.0
   54    57    62    63   7.00000 -1.0 2.0
   54    57    62    64   7.00000 -1.0 2.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   57    60   -70    83   2.00000 -1.0 2.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   61    60    70    83   3.00000 -1.0 2.0
   70    83    54    49   0.62750  1.0 1.0
   70    83    54    49  -0.30950 -1.0 2.0
   70    83    54    49   0.27300  1.0 3.0
   70    83    54    55   0.23400  1.0 3.0
   70    83   -54    57   0.61850  1.0 1.0
   70    83   -54    57  -0.22750 -1.0 2.0
   70    83   -54    57   0.15300  1.0 3.0
   62    57    60    61   1.00000 -1.0 2.0
   62    57    60    70  -0.56150  1.0 1.0
   62    57    60    70   2.19150 -1.0 2.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    83   7.00000 -1.0 2.0
   80    85    65    56   0.06250  1.0 1.0
   80    85    65    56  -0.01100 -1.0 2.0
   80    85    65    56   0.28050  1.0 3.0
   80    85    65    66   0.37050  1.0 3.0
   80    85    65    71  -0.70900  1.0 1.0
   80    85    65    71  -1.18000 -1.0 2.0
   80    85    65    71   0.91650  1.0 3.0
   81    80    85    65   0.37050  1.0 3.0
   82    80    85    65   0.37050  1.0 3.0
   85    65    71    72  -0.50000  1.0 1.0
   85    65    71    72  -0.73950 -1.0 2.0
   85    65    71    72   0.17150  1.0 3.0
   65    56    58    59   0.15000  1.0 3.0
   65    56    58    67   3.97050  1.0 1.0
   65    56   -58    73   0.02550  1.0 1.0
   65    56   -58    73  -0.02600 -1.0 2.0
   65    56   -58    73   1.20400  1.0 3.0
   65    56   -73    58   0.06250  1.0 1.0
   65    56   -73    58  -0.01100 -1.0 2.0
   65    56   -73    58   0.28050  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   73    56   -58    59   0.23400  1.0 3.0
   73    56   -58    67   0.02550  1.0 1.0
   73    56   -58    67  -0.02600 -1.0 2.0
   73    56   -58    67   1.20400  1.0 3.0
   73    56    65    85   1.11900  1.0 1.0
   73    56    65    85  -1.16350 -1.0 2.0
   73    56    65    85  -0.34150  1.0 3.0
   73    56    65    66   0.23400  1.0 3.0
   73    56    65    71   3.69350  1.0 1.0
   73    56    65    71  -1.82950 -1.0 2.0
   73    58    67    68   0.23400  1.0 3.0
   73    58    67    69   0.23400  1.0 3.0
   73    58    67    74   0.02550  1.0 1.0
   73    58    67    74  -0.02600 -1.0 2.0
   73    58    67    74   1.20400  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    46   0.36750  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48   0.19450  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   74    80    77    78   1.10000 -1.0 2.0
   83    79    78    77   1.10000 -1.0 2.0
   54    60    57    62   1.10000 -1.0 2.0
   57    70    60    61  10.50000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
END
