* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    165    247     472
    1     0 S   NP   _N1_     1    28.92003    94.94369   -18.52535
    2     1 S   H    _HN1     2     1.02836    42.96239   132.80047
    3     1 S   H    _H1_     3     1.02795    77.89597   -93.65045
    4     1 S   H    _H2_     4     1.02944    88.58545    15.37388
    5     1 S   CT   _CA1     5     1.50108   152.74932   151.26140
    6     5 S   HC   _HA1     6     1.09577   105.23352    46.14909
    7     5 S   CO3  _C1_     7     1.53821   112.09305   -74.02292
    8     7 S   O2Z  _O11     8     1.26363   115.13978   -51.02483
    9     7 S   O2Z  _O12     9     1.26211   114.90930   127.93294
   10     5 S   CT   _CB1    10     1.53081   107.38218   163.93402
   11    10 S   HC   HB11    11     1.09825   109.51842   -49.83654
   12    10 S   HC   HB12    12     1.09814   110.41962    66.77977
   13    10 S   CT   _CG1    13     1.52977   112.53879  -170.82382
   14    13 S   HC   HG11    14     1.09417   110.36300   -60.33079
   15    13 S   HC   HG12    15     1.09643   110.02538    58.72898
   16    13 S   C    _CD1    16     1.51809   112.19720   179.08080
   17    16 S   O    _OE1    17     1.22752   123.16606    -4.57209
   18    16 S   N    _N2_    18     1.38640   111.81674   175.98161
   19    18 S   H    _HN2    19     1.01599   119.04194     1.07956
   20    18 S   CT1  _CA2    20     1.46265   123.30167   178.96940
   21    20 S   HC   _HA2    21     1.09733   109.31019    -0.09487
   22    20 S   C    _C2_    22     1.53469   108.69850  -115.63899
   23    22 S   O    _O2_    23     1.23061   122.29102  -148.43528
   24    20 S   CT   _CB2    32     1.53354   111.64042   121.78411
   25    24 S   HC   HB21    33     1.09309   109.94028    60.04247
   26    24 S   HC   HB22    34     1.09537   110.38976   177.76892
   27    22 S   N    _N3_    24     1.38344   113.69466    39.08268
   28    27 S   H    _HN3    25     1.01605   119.54238    -3.65854
   29    24 S   S    _SG2    35     1.82773   111.45447   -63.41786
   30    27 S   CT   _CA3    26     1.45285   123.12551   176.97489
   31    30 S   HC   HA31    27     1.09552   107.55153   -63.23916
   32    30 S   HC   HA32    28     1.09559   107.91398    53.15959
   33    29 S   CT   _C14    36     1.85931   100.62057   135.12353
   34    33 S   HC   _H7_    37     1.09985   106.10321    49.71908
   35    30 S   CO3  _C3_    29     1.52934   114.15794   175.13744
   36    35 S   O2Z  _O31    30     1.26363   116.07832    -0.27052
   37    35 S   O2Z  _O32    31     1.26435   114.40417   179.77015
   38    33 S   CM   _C13    38     1.53694   109.99283   -68.12850
   39    33 S   CT   _C15    59     1.58867   111.04779   168.67486
   40    39 S   OM   _O39    60     1.32571   108.92045   -72.79406
   41    39 S   HC   _H8_    61     1.09692   106.72702    55.63384
   42    38 S   CM   _C12    39     1.34951   119.93331   -64.80226
   43    42 S   HC   _H16    40     1.09010   117.54797     8.87135
   44    38 S   CT   _C21    86     1.50617   114.48398   124.27411
   45    44 S   HC   _H22    87     1.09422   110.21146   -63.69037
   46    44 S   HC   _H23    88     1.09083   113.60553   176.43806
   47    44 S   HC   _H24    89     1.09461   110.51375    55.68570
   48    42 S   CT   _C11    41     1.49746   129.21922  -158.57279
   49    48 S   HC   _H6_    42     1.09796   107.33270  -173.33232
   50    48 S   CT   _C10    43     1.53234   112.84555    63.29225
   51    50 S   HC   _H5_    44     1.09708   110.65878   -49.46677
   52    50 S   CM   _C23    45     1.49673    97.71703  -158.68910
   53    50 S   CT   _C9_    52     1.54880   116.07788    74.82328
   54    53 S   HC   _H4_    53     1.09714   109.01717   167.45745
   55    52 S   CO4  _C22    46     1.48459   107.96698    27.59205
   56    55 S   O    _O41    47     1.21761   126.95602   166.51096
   57    52 S   CM   _C24    49     1.33539   130.48897  -151.71449
   58    57 S   HC   _H25    50     1.08432   121.42323    -0.54751
   59    57 S   HC   _H26    51     1.08536   121.52064   179.40390
   60    53 S   CT   _C18    54     1.56038   114.99718   -70.15234
   61    60 S   HC   _H9_    55     1.09156   108.15635    74.40181
   62    53 S   OS   _O35    71     1.45357   107.39237    49.05717
   63    48 S   OS   _O40    48     1.43137   112.73227   -56.74244
   64    60 S   CM   _C17    56     1.51559   115.37629   -51.67159
   65    60 S   OH   _O36    69     1.43518   108.05929  -173.32109
   66    65 S   HO   _H18    70     0.97298   107.45371   179.39155
   67    62 S   CO4  _C8_    72     1.35917   118.68198   137.29670
   68    67 S   O    _O34    73     1.22228   127.14840    -1.92295
   69    64 S   CM   _C16    57     1.35309   127.44533   124.89057
   70    69 S   HC   _H17    58     1.09346   117.48338  -179.02261
   71    64 S   CO4  _C19    62     1.49337   115.86735   -54.90248
   72    71 S   O    _O37    63     1.22234   123.62030   -42.53826
   73    67 S   C3T  _C6_    74     1.48328   110.40459   177.16918
   74    71 S   OS   _O38    64     1.36117   110.12331   133.80172
   75    73 S   C3T  _C5_    75     1.51989   119.41431    82.95721
   76    75 S   HC   _H3_    76     1.08202   118.71695  -151.22398
   77    73 S   CT   _C7_    82     1.50012   118.84902   -75.80671
   78    77 S   HC   _H13    83     1.09521   112.05604  -175.52079
   79    77 S   HC   _H14    84     1.09469   110.18249    64.26447
   80    77 S   HC   _H15    85     1.09479   110.30236   -55.22273
   81    74 S   CT   _C20    65     1.43015   115.25699  -177.38087
   82    81 S   HC   _H19    66     1.09326   108.09617  -179.13159
   83    81 S   HC   _H20    67     1.09424   110.22702    62.21903
   84    81 S   HC   _H21    68     1.09423   110.34883   -60.40780
   85    73 S   O3T  _O33    77     1.44259   113.77938   147.87632
   86    75 S   CT   _C4_    78     1.48713   123.01560     0.71601
   87    86 S   HC   _H10    79     1.09450   112.41002    40.41410
   88    86 S   HC   _H11    80     1.09337   110.19326   -80.57787
   89    86 S   HC   _H12    81     1.09447   109.98767   160.39151
  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   9   5   4   3
  15   7   2   1   1  14   9   4   3  13   5   4   2   1   1  12
   6  16   8  10  15   6   5   2   3   1   1  11   6   8   1   8
   3   1  10   4   4   1   6   2  11   4  10   6   5   3   2   1
   3   2   1   1   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    42    69    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    48    64    69    70    39    40    41    44    45    46    47  
   38    42    69    39    40    41    44  
   36    37  
   37  
    0  
   42    43    48    49    50    63    69    39    40    41    44    45    46    47  
   40    41    71    44    42    60    64    69    70  
   41    64    69    70  
   64    69    70  
   43    48    49    50    51    52    55    63    53    44    45    46    47  
   48    49    50    63    44  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    52    55    56    63    57    53    54    60    62  
   50    51    52    55    63    53  
   51    52    55    56    63    57    58    59    53    54    60    61    64    65    62    67  
   52    55    63    57    53    54    60    62  
   55    56    63    57    58    59    53    54    60    62  
   54    60    61    64    69    71    65    66    62    67    68    73    55    57    63  
   60    61    64    65    62    67  
   56    63    57    58    59  
   63    57  
   58    59    63  
   59  
    0  
   61    64    69    70    71    72    74    65    66    62    67  
   64    69    71    65    66    62  
   67    68    73    75    85    77    64    65  
    0  
   69    70    71    72    74    81    65    66  
   66    69    71  
    0  
   68    73    75    76    85    86    77    78    79    80  
   73    75    85    77  
   70    71    72    74  
   71  
   72    74    81    82    83    84  
   74    81  
   75    76    85    86    87    88    89    77    78    79    80  
   81    82    83    84  
   76    85    86    87    88    89    77    78    79    80  
   85    86    87    88    89    77  
   78    79    80    85    86  
   79    80    85  
   80    85  
   85  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    63   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    63   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    62   320.000  1.410
   60    61   340.000  1.090
   60    64   317.000  1.510
   60    65   320.000  1.410
   64    69   549.000  1.340
   64    71   320.000  1.462
   69    70   340.000  1.080
   69    39   317.000  1.510
   39    40   570.000  1.307
   39    41   340.000  1.090
   71    72   570.000  1.229
   71    74   214.000  1.327
   74    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   65    66   553.000  0.945
   62    67   214.000  1.327
   67    68   570.000  1.229
   67    73   290.000  1.496
   73    75   260.000  1.509
   73    85   335.000  1.432
   73    77   275.000  1.510
   75    76   340.000  1.088
   75    85   335.000  1.432
   75    86   275.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    69    70.00000  112.02700
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    48    70.00000  124.00000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    63    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.02700
   48    50    53    58.35000  112.70000
   48    63    55    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    52    55    65.00000  116.34900
   50    52    57    70.00000  124.00000
   50    53    54    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    53    62    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    63    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   63    48    49    35.00000  109.50000
   63    48    50    50.00000  109.50000
   63    55    56    83.00000  123.40000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    60    61    37.50000  110.70000
   53    60    64    70.00000  112.02700
   53    60    65    50.00000  109.50000
   53    62    67    83.00000  116.90000
   60    53    54    37.50000  110.70000
   60    64    69    70.00000  124.00000
   60    64    71    65.00000  116.34900
   60    65    66    55.00000  108.50000
   64    60    61    35.00000  109.50000
   64    69    70    35.00000  120.00000
   64    69    39    70.00000  124.00000
   64    71    72    80.00000  123.72100
   64    71    74    90.00000  111.29400
   69    39    40    85.00000  110.90400
   69    39    41    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    69    70    35.00000  117.00000
   41    39    40    45.00000  125.66300
   71    64    69    65.00000  118.96000
   71    74    81    83.00000  116.90000
   74    71    72    83.00000  123.40000
   74    81    82    35.00000  109.50000
   74    81    83    35.00000  109.50000
   74    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    64    90.00000  110.39200
   62    53    54    35.00000  109.50000
   62    53    60    50.00000  109.50000
   62    67    68    83.00000  123.40000
   62    67    73    81.00000  111.40000
   67    73    75    65.00000  117.18000
   67    73    85    80.00000  114.91000
   67    73    77    63.00000  111.10000
   73    67    68    75.00000  121.36600
   73    75    76    37.50000  117.20000
   73    75    85    15.00000   60.43100
   73    75    86    60.00000  120.94000
   73    85    75    15.00000   59.14900
   73    77    78    45.00000  109.38400
   73    77    79    45.00000  109.38400
   73    77    80    45.00000  109.38400
   75    86    87    45.00000  109.38400
   75    86    88    45.00000  109.38400
   75    86    89    45.00000  109.38400
   85    73    75    15.00000   60.43100
   85    75    76    50.00000  114.27700
   86    75    76    40.00000  115.04500
   86    75    85    80.00000  116.47100
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   77    73    75    60.00000  120.94000
   77    73    85    80.00000  116.47100
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.01700  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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    69   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    69   0.31000  1.0 1.0
   38    33    39    69   0.14700 -1.0 2.0
   38    33    39    69   0.07550  1.0 3.0
   38    33    39    40   0.61850  1.0 1.0
   38    33    39    40  -0.22750 -1.0 2.0
   38    33    39    40   0.15300  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    63   0.39000  1.0 1.0
   38    42    48    63  -0.05800 -1.0 2.0
   38    42    48    63  -0.55150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    52   0.31000  1.0 1.0
   42    48    50    52   0.14700 -1.0 2.0
   42    48    50    52   0.07550  1.0 3.0
   42    48    50    53   0.34400  1.0 1.0
   42    48    50    53   0.09450 -1.0 2.0
   42    48    50    53   0.11100  1.0 3.0
   42    48    63    55  -0.82050  1.0 1.0
   42    48    63    55   0.00600 -1.0 2.0
   42    48    63    55   0.04400  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    63   0.00000  1.0 1.0
   48    50   -52    55   0.09700  1.0 1.0
   48    50   -52    55   0.15600 -1.0 2.0
   48    50   -52    55  -0.50800  1.0 3.0
   48    50    52    57   0.09850  1.0 1.0
   48    50    52    57   0.15250 -1.0 2.0
   48    50    52    57  -0.50650  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    60   0.56750  1.0 1.0
   48    50    53    60  -0.07550 -1.0 2.0
   48    50    53    60   0.20000  1.0 3.0
   48    50    53    62   0.62750  1.0 1.0
   48    50    53    62  -0.30950 -1.0 2.0
   48    50    53    62   0.27300  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    63    55   0.08050  1.0 3.0
   50    48   -63    55  -0.25900  1.0 1.0
   50    48   -63    55  -0.47000 -1.0 2.0
   50    48   -63    55   0.11750  1.0 3.0
   50    52    55    56  -0.64400  1.0 1.0
   50    52    55    56   0.26850 -1.0 2.0
   50    52   -55    63  -0.15000  1.0 1.0
   50    52   -55    63   0.89550 -1.0 2.0
   50    52   -55    63  -0.06900  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    59   7.00000 -1.0 2.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    64   0.34400  1.0 1.0
   50    53    60    64   0.09450 -1.0 2.0
   50    53    60    64   0.11100  1.0 3.0
   50    53    60    65   0.86500  1.0 1.0
   50    53    60    65  -0.17500 -1.0 2.0
   50    53    60    65   0.20800  1.0 3.0
   50    53    62    67  -0.25900  1.0 1.0
   50    53    62    67  -0.47000 -1.0 2.0
   50    53    62    67   0.11750  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    53    62   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    60   0.34400  1.0 1.0
   52    50    53    60   0.09450 -1.0 2.0
   52    50    53    60   0.11100  1.0 3.0
   52    50    53    62   0.61850  1.0 1.0
   52    50    53    62  -0.22750 -1.0 2.0
   52    50    53    62   0.15300  1.0 3.0
   52    55   -63    48   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   56    55    63    48   3.00000 -1.0 2.0
   63    48    50    51   0.23400  1.0 3.0
   63    48   -50    52   0.61850  1.0 1.0
   63    48   -50    52  -0.22750 -1.0 2.0
   63    48   -50    52   0.15300  1.0 3.0
   63    48    50    53   0.62750  1.0 1.0
   63    48    50    53  -0.30950 -1.0 2.0
   63    48    50    53   0.27300  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    63  -0.56150  1.0 1.0
   57    52    55    63   2.19150 -1.0 2.0
   53    50    52    55   0.09700  1.0 1.0
   53    50    52    55   0.15600 -1.0 2.0
   53    50    52    55  -0.50800  1.0 3.0
   53    50    52    57   0.09850  1.0 1.0
   53    50    52    57   0.15250 -1.0 2.0
   53    50    52    57  -0.50650  1.0 3.0
   53    60    64    69   0.09850  1.0 1.0
   53    60    64    69   0.15250 -1.0 2.0
   53    60    64    69  -0.50650  1.0 3.0
   53    60    64    71   0.09700  1.0 1.0
   53    60    64    71   0.15600 -1.0 2.0
   53    60    64    71  -0.50800  1.0 3.0
   53    60    65    66  -0.11600  1.0 1.0
   53    60    65    66  -0.09450 -1.0 2.0
   53    60    65    66   0.21250  1.0 3.0
   53    62    67    68   3.00000 -1.0 2.0
   53    62    67    73   1.63150  1.0 1.0
   53    62    67    73   2.92000 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    64   0.15000  1.0 3.0
   54    53    60    65   0.23400  1.0 3.0
   54    53    62    67   0.08050  1.0 3.0
   60    53    62    67  -0.25900  1.0 1.0
   60    53    62    67  -0.47000 -1.0 2.0
   60    53    62    67   0.11750  1.0 3.0
   60    64    69    70   7.00000 -1.0 2.0
   60    64    69    39   7.00000 -1.0 2.0
   60    64    71    72  -0.64400  1.0 1.0
   60    64    71    72   0.26850 -1.0 2.0
   60    64    71    74  -0.15000  1.0 1.0
   60    64    71    74   0.89550 -1.0 2.0
   60    64    71    74  -0.06900  1.0 3.0
   61    60    64    69   0.00000  1.0 1.0
   61    60    64    71   0.15000  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   64    60    65    66  -0.07800  1.0 1.0
   64    60    65    66  -0.21500 -1.0 2.0
   64    60    65    66  -0.03150  1.0 3.0
   64    69    39    33   0.09850  1.0 1.0
   64    69    39    33   0.15250 -1.0 2.0
   64    69    39    33  -0.50650  1.0 3.0
   64    69    39    40   0.39000  1.0 1.0
   64    69    39    40  -0.05800 -1.0 2.0
   64    69    39    40  -0.55150  1.0 3.0
   64    69    39    41   0.00000  1.0 1.0
   64    71    74    81   2.00000 -1.0 2.0
   69    64    71    72   1.00000 -1.0 2.0
   69    64    71    74  -0.56150  1.0 1.0
   69    64    71    74   2.19150 -1.0 2.0
   70    69    39    33   0.00000  1.0 1.0
   70    69    39    40   0.00000  1.0 1.0
   70    69    39    41   0.33100  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   71    64    69    70   7.00000 -1.0 2.0
   71    64    69    39   7.00000 -1.0 2.0
   71    74    81    82   0.08050  1.0 3.0
   71    74    81    83   0.08050  1.0 3.0
   71    74    81    84   0.08050  1.0 3.0
   72    71    74    81   3.00000 -1.0 2.0
   65    60    64    69   0.67800  1.0 1.0
   65    60    64    69   0.47050 -1.0 2.0
   65    60    64    69  -0.62500  1.0 3.0
   65    60    64    71   0.09700  1.0 1.0
   65    60    64    71   0.15600 -1.0 2.0
   65    60    64    71  -0.50800  1.0 3.0
   62    53    60    61   0.23400  1.0 3.0
   62    53    60    64   0.61850  1.0 1.0
   62    53    60    64  -0.22750 -1.0 2.0
   62    53    60    64   0.15300  1.0 3.0
   62    53    60    65   3.69350  1.0 1.0
   62    53    60    65  -1.82950 -1.0 2.0
   62    67    73    75   0.36750  1.0 3.0
   62    67    73    85   0.40000  1.0 3.0
   62    67    73    77   0.36750  1.0 3.0
   67    73    75    76   0.15000  1.0 3.0
   67    73   -75    85  -0.09450  1.0 1.0
   67    73   -75    85  -1.12950 -1.0 2.0
   67    73   -75    85   0.54000  1.0 3.0
   67    73    75    86  -0.95700  1.0 1.0
   67    73    75    86  -0.18200 -1.0 2.0
   67    73    75    86   0.29450  1.0 3.0
   67    73   -85    75  -1.11000  1.0 1.0
   67    73   -85    75   0.50250 -1.0 2.0
   67    73   -85    75   0.47450  1.0 3.0
   67    73    77    78  -0.11250  1.0 3.0
   67    73    77    79  -0.11250  1.0 3.0
   67    73    77    80  -0.11250  1.0 3.0
   68    67    73    75   0.30150 -1.0 2.0
   68    67    73    85   0.30150 -1.0 2.0
   68    67    73    77   0.30150 -1.0 2.0
   73    75    86    87   0.15000  1.0 3.0
   73    75    86    88   0.15000  1.0 3.0
   73    75    86    89   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   76    75   -85    73   0.36800  1.0 3.0
   76    75    86    87   0.15000  1.0 3.0
   76    75    86    88   0.15000  1.0 3.0
   76    75    86    89   0.15000  1.0 3.0
   85    73   -75    76   0.23400  1.0 3.0
   85    73   -75    86   0.02550  1.0 1.0
   85    73   -75    86  -0.02600 -1.0 2.0
   85    73   -75    86   1.20400  1.0 3.0
   85    73    77    78   0.23400  1.0 3.0
   85    73    77    79   0.23400  1.0 3.0
   85    73    77    80   0.23400  1.0 3.0
   85    75    86    87   0.23400  1.0 3.0
   85    75    86    88   0.23400  1.0 3.0
   85    75    86    89   0.23400  1.0 3.0
   86    75   -85    73   0.06250  1.0 1.0
   86    75   -85    73  -0.01100 -1.0 2.0
   86    75   -85    73   0.28050  1.0 3.0
   77    73    75    76   0.15000  1.0 3.0
   77    73   -75    85   0.02550  1.0 1.0
   77    73   -75    85  -0.02600 -1.0 2.0
   77    73   -75    85   1.20400  1.0 3.0
   77    73    75    86   0.56750  1.0 1.0
   77    73    75    86  -0.07550 -1.0 2.0
   77    73    75    86   0.20000  1.0 3.0
   77    73   -85    75   0.06250  1.0 1.0
   77    73   -85    75  -0.01100 -1.0 2.0
   77    73   -85    75   0.28050  1.0 3.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    48   7.00000 -1.0 2.0
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    44    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   50    55    52    57   1.10000 -1.0 2.0
   52    63    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   60    71    64    69   1.10000 -1.0 2.0
   39    70    69    64   1.10000 -1.0 2.0
   64    74    71    72  10.50000 -1.0 2.0
   62    73    67    68  10.50000 -1.0 2.0
END
