* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    164    242     470
    1     0 S   NP   _N1_     1    28.81152    96.76726   -22.35572
    2     1 S   H    _HN1     2     1.02784    96.87342   -91.07469
    3     1 S   H    _H1_     3     1.02952    71.87825    16.04144
    4     1 S   H    _H2_     4     1.02829    42.78086   159.94041
    5     1 S   CT   _CA1     5     1.50099   147.27727   115.77461
    6     5 S   HC   _HA1     6     1.09572   105.22094    89.52244
    7     5 S   CO3  _C1_     7     1.53810   112.53443   -30.73667
    8     7 S   O2Z  _O11     8     1.26367   115.00392   -41.38611
    9     7 S   O2Z  _O12     9     1.26245   114.95900   137.86183
   10     5 S   CT   _CB1    10     1.53094   107.44320  -152.45741
   11    10 S   HC   HB11    11     1.09826   109.45626   -50.03999
   12    10 S   HC   HB12    12     1.09815   110.39155    66.60562
   13    10 S   CT   _CG1    13     1.52949   112.53565  -171.04373
   14    13 S   HC   HG11    14     1.09551   110.43751   -65.08453
   15    13 S   HC   HG12    15     1.09661   109.86597    54.14576
   16    13 S   C    _CD1    16     1.51745   112.37979   174.95313
   17    16 S   O    _OE1    17     1.22724   123.26939     7.76561
   18    16 S   N    _N2_    18     1.38646   111.62995  -172.76269
   19    18 S   H    _HN2    19     1.01522   119.06066     3.11678
   20    18 S   CT1  _CA2    20     1.46079   123.42869   179.02482
   21    20 S   HC   _HA2    21     1.09738   109.31129    -0.41259
   22    20 S   C    _C2_    22     1.53538   108.68535  -115.88261
   23    22 S   O    _O2_    23     1.23054   122.27304  -149.70933
   24    20 S   CT   _CB2    32     1.53459   111.70910   121.51619
   25    24 S   HC   HB21    33     1.09535   110.02646    57.28808
   26    24 S   HC   HB22    34     1.09310   109.36701   176.06543
   27    22 S   N    _N3_    24     1.38323   113.69295    37.77010
   28    27 S   H    _HN3    25     1.01598   119.53860    -3.41868
   29    24 S   S    _SG2    35     1.82959   111.35370   -63.56462
   30    27 S   CT   _CA3    26     1.45280   123.21879   177.16117
   31    30 S   HC   HA31    27     1.09549   107.50999   -64.75015
   32    30 S   HC   HA32    28     1.09557   107.98827    51.69173
   33    29 S   CT   _C17    36     1.86908   101.08319  -174.76011
   34    30 S   CO3  _C3_    29     1.52956   114.07283   173.69852
   35    34 S   O2Z  _O31    30     1.26379   116.06014    -0.32984
   36    34 S   O2Z  _O32    31     1.26428   114.41315   179.73020
   37    33 S   CT   _C13    37     1.52983   108.26034    71.29078
   38    37 S   HC   _H32    38     1.09513   112.53541    50.92682
   39    37 S   HC   _H33    39     1.09651   110.16019   -70.08065
   40    33 S   OS   _O23    69     1.45309   108.86327   -45.28075
   41    37 S   CO4  _C12    40     1.51310   113.16462   172.03671
   42    41 S   O    _O22    41     1.23112   120.49827   149.32641
   43    41 S   CM   _C11    42     1.48823   119.01511   -34.90254
   44    43 S   CM   _C10    43     1.34084   119.05618     9.41056
   45    44 S   HC   _H31    44     1.08887   117.74042  -176.18854
   46    43 S   CT   _C23    79     1.50588   118.26756  -168.36768
   47    46 S   HC   _H51    80     1.09789   109.95057   156.54366
   48    46 S   HC   _H52    81     1.09717   109.74004    40.71686
   49    33 S   CT   _C16    45     1.56223   112.43341  -162.28920
   50    46 S   CT   _C24    82     1.53065   111.86433   -81.98888
   51    50 S   HC   _H53    83     1.09624   110.45155    59.26763
   52    50 S   HC   _H54    84     1.09691   109.98002   -58.58031
   53    49 S   CT   _C15    46     1.54852    99.43184    85.61824
   54    53 S   HC   _H35    47     1.09861   107.41332   -76.46828
   55    49 S   OS   _O26    74     1.43266   116.49553   -28.97576
   56    50 S   CT   _C19    85     1.52083   111.37687  -179.57572
   57    56 S   HC   _H39    86     1.09468   111.00981    60.18693
   58    56 S   HC   _H40    87     1.09467   110.98197   -60.35634
   59    56 S   HC   _H41    88     1.09450   110.25442   179.91607
   60    53 S   CT   _C14    48     1.52962   101.93480    40.23202
   61    60 S   HC   _H34    49     1.09797   109.46661    79.00039
   62    53 S   CT   _C18    70     1.52673   117.36406   164.93272
   63    62 S   HC   _H36    71     1.09458   112.23884   -67.75617
   64    62 S   HC   _H37    72     1.09538   110.33378   172.84316
   65    62 S   HC   _H38    73     1.09469   110.85105    53.62968
   66    55 S   CT   _C22    75     1.42050   117.39289   -70.96805
   67    66 S   HC   _H48    76     1.09393   107.71797   178.34424
   68    66 S   HC   _H49    77     1.09077   111.84867    60.14041
   69    66 S   HC   _H50    78     1.09327   111.41499   -63.81186
   70    60 S   CA   _C7_    50     1.50974   116.32775  -157.10443
   71    70 S   CA   _C4_    51     1.40046   119.27928  -128.86791
   72    71 S   HA   _H28    52     1.08791   120.38417     0.16193
   73    71 S   CA   _C5_    53     1.39645   121.02177  -179.74744
   74    73 S   HA   _H29    54     1.08546   117.66550   179.93744
   75    73 S   CA   _C8_    55     1.39665   120.32560    -0.16071
   76    75 S   CA   _C9_    56     1.40694   119.41314     0.07402
   77    75 S   OS   _O24    64     1.37326   124.60732  -179.78150
   78    70 S   CA   _C6_    57     1.40309   122.22808    51.90631
   79    78 S   HA   _H30    58     1.08530   118.49776     0.74125
   80    76 S   OS   _O25    59     1.37391   115.66628  -179.77445
   81    77 S   CT   _C20    65     1.42219   117.31571    -0.19383
   82    81 S   HC   _H42    66     1.09429   107.73852  -179.90721
   83    81 S   HC   _H43    67     1.09495   111.14203    62.38009
   84    81 S   HC   _H44    68     1.09495   111.14801   -62.19527
   85    80 S   CT   _C21    60     1.42169   117.30025   171.54246
   86    85 S   HC   _H45    61     1.09408   107.77126  -175.10767
   87    85 S   HC   _H46    62     1.09319   110.75108    67.37941
   88    85 S   HC   _H47    63     1.09504   111.41911   -57.08521
  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  11   5   4   3
  18   2   1   1  12   6   5  12   9   3  12  12   4  10   5   4
  14   6   5   4  12   8   6   3   2   1   1  12   4   4   2   1
   1   3   2   1   1   9   8   4   7   3  10   9   6   3   1   4
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    44    49    53    60    40    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    43    44    45    49    53    54    60    61    70    40    62    55    66  
   35    36  
   36  
    0  
   38    39    41    42    43    44    49    53    60    40    55    46  
   39    41    42    43    49    40  
   41    42    43    49    40  
   62    55    41    44    49    53    54    60    61    70    71    78  
   42    43    44    45    49    46    47    48    50  
   43    44    46  
   44    45    49    53    55    46    47    48    50    51    52    56  
   45    49    53    54    60    62    55    66    46    47    48    50  
   49    53    55    46  
   47    48    50    51    52    56    57    58    59    49  
   48    50    51    52    56  
   50    51    52    56  
   53    54    60    61    70    62    63    64    65    55    66    67    68    69  
   51    52    56    57    58    59  
   52    56    57    58    59  
   56    57    58    59  
   54    60    61    70    71    78    62    63    64    65    55    66  
   60    61    70    62    63    64    65    55  
   66    67    68    69    60    62  
   57    58    59  
   58    59  
   59  
    0  
   61    70    71    72    73    76    78    79    62    63    64    65  
   70    71    78    62  
   63    64    65    70  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    78    79    80  
   72    73    74    75    76    78    79    77  
   73    74    75    78  
   74    75    76    78    80    77    81  
   75    76    77  
   76    78    79    80    85    77    81    82    83    84  
   78    79    80    85    86    87    88    77    81  
   81    82    83    84    78    80  
   79    80    85  
   80  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    49   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   549.000  1.340
   43    46   317.000  1.510
   44    45   340.000  1.080
   44    49   317.000  1.510
   49    53   268.000  1.529
   49    55   320.000  1.410
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    62   268.000  1.529
   60    61   340.000  1.090
   60    70   317.000  1.510
   60    40   320.000  1.410
   70    71   469.000  1.400
   70    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   55    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    49    44    70.00000  112.02700
   33    49    53    58.35000  112.70000
   33    49    55    50.00000  109.50000
   33    40    60    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    43    65.00000  118.62400
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    43    44    65.00000  118.96000
   41    43    46    65.00000  116.34900
   43    41    42    80.00000  123.72100
   43    44    45    35.00000  120.00000
   43    44    49    70.00000  124.00000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    50    70.00000  112.02700
   44    49    53    70.00000  112.02700
   44    49    55    85.00000  110.90400
   49    33    37    58.35000  112.70000
   49    44    45    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    60    58.35000  112.70000
   49    53    62    58.35000  112.70000
   49    55    66    60.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    70    70.00000  112.17500
   53    60    40    50.00000  109.50000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   60    53    54    37.50000  110.70000
   60    70    71    70.00000  120.00000
   60    70    78    70.00000  120.00000
   70    60    61    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    78    76    63.00000  120.00000
   70    78    79    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    79    35.00000  120.00000
   76    80    85    75.00000  111.00000
   78    70    71    63.00000  120.00000
   80    76    78    70.00000  120.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    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
   40    33    37    50.00000  109.50000
   40    33    49    50.00000  109.50000
   40    60    61    35.00000  109.50000
   40    60    70    85.00000  111.85700
   62    53    54    37.50000  110.70000
   62    53    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   55    49    53    50.00000  109.50000
   55    66    67    35.00000  109.50000
   55    66    68    35.00000  109.50000
   55    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   46    43    44    70.00000  124.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   29    33    40    60   0.14700  1.0 1.0
   29    33    40    60  -1.16150 -1.0 2.0
   29    33    40    60   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    43   0.65300  1.0 1.0
   33    37    41    43  -0.03850 -1.0 2.0
   33    37    41    43   0.33900  1.0 3.0
   33    49    53    54   0.15000  1.0 3.0
   33    49   -53    60   0.56750  1.0 1.0
   33    49   -53    60  -0.07550 -1.0 2.0
   33    49   -53    60   0.20000  1.0 3.0
   33    49    53    62   0.56750  1.0 1.0
   33    49    53    62  -0.07550 -1.0 2.0
   33    49    53    62   0.20000  1.0 3.0
   33    49    55    66   0.06250  1.0 1.0
   33    49    55    66  -0.01100 -1.0 2.0
   33    49    55    66   0.28050  1.0 3.0
   37    33    49    44   0.34400  1.0 1.0
   37    33    49    44   0.09450 -1.0 2.0
   37    33    49    44   0.11100  1.0 3.0
   37    33    49    53   0.56750  1.0 1.0
   37    33    49    53  -0.07550 -1.0 2.0
   37    33    49    53   0.20000  1.0 3.0
   37    33    49    55   0.62750  1.0 1.0
   37    33    49    55  -0.30950 -1.0 2.0
   37    33    49    55   0.27300  1.0 3.0
   37    33    40    60   0.06250  1.0 1.0
   37    33    40    60  -0.01100 -1.0 2.0
   37    33    40    60   0.28050  1.0 3.0
   37    41   -43    44  -0.33500  1.0 1.0
   37    41   -43    44   1.06600 -1.0 2.0
   37    41   -43    44  -0.14000  1.0 3.0
   37    41    43    46   0.25700  1.0 1.0
   37    41    43    46   0.66200 -1.0 2.0
   37    41    43    46   0.04450  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    43   0.00000  1.0 1.0
   41    43    44    45   7.00000 -1.0 2.0
   41    43    44    49   7.00000 -1.0 2.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    50   0.09700  1.0 1.0
   41    43    46    50   0.15600 -1.0 2.0
   41    43    46    50  -0.50800  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    46  -0.64400  1.0 1.0
   42    41    43    46   0.26850 -1.0 2.0
   43    44   -49    33   0.09850  1.0 1.0
   43    44   -49    33   0.15250 -1.0 2.0
   43    44   -49    33  -0.50650  1.0 3.0
   43    44    49    53   0.09850  1.0 1.0
   43    44    49    53   0.15250 -1.0 2.0
   43    44    49    53  -0.50650  1.0 3.0
   43    44    49    55   0.39000  1.0 1.0
   43    44    49    55  -0.05800 -1.0 2.0
   43    44    49    55  -0.55150  1.0 3.0
   43    46    50    51   0.15000  1.0 3.0
   43    46    50    52   0.15000  1.0 3.0
   43    46    50    56   0.34400  1.0 1.0
   43    46    50    56   0.09450 -1.0 2.0
   43    46    50    56   0.11100  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    50   0.09850  1.0 1.0
   44    43    46    50   0.15250 -1.0 2.0
   44    43    46    50  -0.50650  1.0 3.0
   44    49    53    54   0.15000  1.0 3.0
   44    49    53    60   0.34400  1.0 1.0
   44    49    53    60   0.09450 -1.0 2.0
   44    49    53    60   0.11100  1.0 3.0
   44    49    53    62   0.34400  1.0 1.0
   44    49    53    62   0.09450 -1.0 2.0
   44    49    53    62   0.11100  1.0 3.0
   44    49    55    66  -0.77900  1.0 1.0
   44    49    55    66  -0.36900 -1.0 2.0
   44    49    55    66   0.40400  1.0 3.0
   45    44    49    33   0.00000  1.0 1.0
   45    44    49    53   0.00000  1.0 1.0
   45    44    49    55   0.00000  1.0 1.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    41  -0.95700  1.0 1.0
   49    33   -37    41  -0.18200 -1.0 2.0
   49    33   -37    41   0.29450  1.0 3.0
   49    33   -40    60   0.06250  1.0 1.0
   49    33   -40    60  -0.01100 -1.0 2.0
   49    33   -40    60   0.28050  1.0 3.0
   49    53    60    61   0.15000  1.0 3.0
   49    53    60    70  -0.03700  1.0 1.0
   49    53    60    70   0.37200 -1.0 2.0
   49    53    60    70  -0.47300  1.0 3.0
   49    53   -60    40   0.62750  1.0 1.0
   49    53   -60    40  -0.30950 -1.0 2.0
   49    53   -60    40   0.27300  1.0 3.0
   49    53    62    63   0.15000  1.0 3.0
   49    53    62    64   0.15000  1.0 3.0
   49    53    62    65   0.15000  1.0 3.0
   49    55    66    67   0.37050  1.0 3.0
   49    55    66    68   0.37050  1.0 3.0
   49    55    66    69   0.37050  1.0 3.0
   53    49    55    66   0.06250  1.0 1.0
   53    49    55    66  -0.01100 -1.0 2.0
   53    49    55    66   0.28050  1.0 3.0
   53    60    70    71   0.04150 -1.0 2.0
   53    60    70    78   0.04150 -1.0 2.0
   53    60   -40    33   0.06250  1.0 1.0
   53    60   -40    33  -0.01100 -1.0 2.0
   53    60   -40    33   0.28050  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    70   0.43200  1.0 3.0
   54    53    60    40   0.23400  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   60    53    62    63   0.15000  1.0 3.0
   60    53    62    64   0.15000  1.0 3.0
   60    53    62    65   0.15000  1.0 3.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    78    76   3.62500 -1.0 2.0
   60    70    78    79   3.62500 -1.0 2.0
   61    60    70    71   0.00000  1.0 1.0
   61    60    70    78   0.00000  1.0 1.0
   61    60    40    33   0.37050  1.0 3.0
   70    60    40    33   0.37500  1.0 3.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    78    76   3.62500 -1.0 2.0
   71    70    78    79   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    78   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    70   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76    80    85   1.63200 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    80    85    86   0.08050  1.0 3.0
   76    80    85    87   0.08050  1.0 3.0
   76    80    85    88   0.08050  1.0 3.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    73   3.62500 -1.0 2.0
   78    76    80    85   1.63200 -1.0 2.0
   80    76    78    70   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    49    44   0.61850  1.0 1.0
   40    33    49    44  -0.22750 -1.0 2.0
   40    33    49    44   0.15300  1.0 3.0
   40    33   -49    53   0.62750  1.0 1.0
   40    33   -49    53  -0.30950 -1.0 2.0
   40    33   -49    53   0.27300  1.0 3.0
   40    33    49    55   1.11900  1.0 1.0
   40    33    49    55  -1.16350 -1.0 2.0
   40    33    49    55  -0.34150  1.0 3.0
   40    60    70    71   0.64500  1.0 1.0
   40    60    70    71   0.14800 -1.0 2.0
   40    60    70    71   0.20650  1.0 3.0
   40    60    70    78   0.64500  1.0 1.0
   40    60    70    78   0.14800 -1.0 2.0
   40    60    70    78   0.20650  1.0 3.0
   62    53    60    61   0.15000  1.0 3.0
   62    53    60    70  -0.03700  1.0 1.0
   62    53    60    70   0.37200 -1.0 2.0
   62    53    60    70  -0.47300  1.0 3.0
   62    53    60    40   0.62750  1.0 1.0
   62    53    60    40  -0.30950 -1.0 2.0
   62    53    60    40   0.27300  1.0 3.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    60   0.62750  1.0 1.0
   55    49    53    60  -0.30950 -1.0 2.0
   55    49    53    60   0.27300  1.0 3.0
   55    49    53    62   0.62750  1.0 1.0
   55    49    53    62  -0.30950 -1.0 2.0
   55    49    53    62   0.27300  1.0 3.0
   46    43    44    45   7.00000 -1.0 2.0
   46    43    44    49   7.00000 -1.0 2.0
   46    50    56    57   0.15000  1.0 3.0
   46    50    56    58   0.15000  1.0 3.0
   46    50    56    59   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    56   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    56   0.15000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    59   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   37    43    41    42  10.50000 -1.0 2.0
   41    46    43    44   1.10000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   71    78    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   76    79    78    70   1.10000 -1.0 2.0
END
