* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    159    242     464
    1     0 S   NP   _N1_     1    29.10138    94.19276   -17.52710
    2     1 S   H    _HN1     2     1.02776    72.54023   -64.89730
    3     1 S   H    _H1_     3     1.02972   108.03135    39.22298
    4     1 S   H    _H2_     4     1.02832    37.23183   133.86550
    5     1 S   CT   _CA1     5     1.50125   136.75437  -169.07674
    6     5 S   HC   _HA1     6     1.09575   105.25238    26.31611
    7     5 S   CO3  _C1_     7     1.53803   112.32605   -93.83623
    8     7 S   O2Z  _O11     8     1.26341   115.02729   -44.20434
    9     7 S   O2Z  _O12     9     1.26227   114.86976   134.98863
   10     5 S   CT   _CB1    10     1.53085   107.38293   144.14400
   11    10 S   HC   HB11    11     1.09811   109.30609   -51.19689
   12    10 S   HC   HB12    12     1.09839   110.36320    65.29823
   13    10 S   CT   _CG1    13     1.53033   112.77371  -172.48712
   14    13 S   HC   HG11    14     1.09492   110.01541   -60.95753
   15    13 S   HC   HG12    15     1.09603   110.35848    58.14860
   16    13 S   C    _CD1    16     1.51827   111.94564   178.19355
   17    16 S   O    _OE1    17     1.22767   122.95663   -19.48365
   18    16 S   N    _N2_    18     1.38612   112.00978   161.42386
   19    18 S   H    _HN2    19     1.01565   119.09163     1.98386
   20    18 S   CT1  _CA2    20     1.46329   123.35415  -176.46520
   21    20 S   HC   _HA2    21     1.09735   109.23118   -18.56049
   22    20 S   C    _C2_    22     1.53363   108.25473  -134.36363
   23    22 S   O    _O2_    23     1.23003   122.30722  -145.42576
   24    20 S   CT   _CB2    32     1.53651   111.49950   103.48595
   25    24 S   HC   HB21    33     1.09529   109.58166    55.97321
   26    24 S   HC   HB22    34     1.09467   110.47786   174.86111
   27    22 S   N    _N3_    24     1.38528   113.27884    41.88337
   28    27 S   H    _HN3    25     1.01538   118.90282    -0.42704
   29    24 S   S    _SG2    35     1.82663   111.55989   -65.13626
   30    27 S   CT   _CA3    26     1.45443   123.39425   175.14921
   31    30 S   HC   HA31    27     1.09528   109.16251    25.66254
   32    30 S   HC   HA32    28     1.09493   107.13589   142.65959
   33    29 S   CT   _C23    36     1.84896   100.22191   163.67616
   34    33 S   HC   _H3_    37     1.09605   107.56535   -34.34152
   35    30 S   CO3  _C3_    29     1.52933   113.18576   -97.76061
   36    35 S   O2Z  _O31    30     1.26398   115.44295   -43.51627
   37    35 S   O2Z  _O32    31     1.26361   114.95742   137.43186
   38    33 S   CT   _C21    38     1.53019   107.79821    82.68775
   39    38 S   HC   _H46    39     1.09551   112.04922    64.56463
   40    38 S   HC   _H47    40     1.09554   111.58755   -56.77549
   41    38 S   HC   _H48    41     1.09465   110.86590  -175.09935
   42    33 S   CT   _C24    42     1.55652   110.49704  -152.65157
   43    42 S   CO4  _C14    43     1.53569   110.58692    57.60891
   44    43 S   O    _O24    44     1.22448   124.26029  -113.45658
   45    42 S   CT   _C22    82     1.53388   112.27050   179.73533
   46    45 S   HC   _H49    83     1.09513   111.47889    68.92989
   47    45 S   HC   _H50    84     1.09592   110.70225  -173.47649
   48    45 S   HC   _H51    85     1.09495   111.96387   -53.17109
   49    42 S   OH   _O27    86     1.42841   109.39831   -61.71307
   50    49 S   HO   _H53    87     0.97312   107.99253   178.04896
   51    43 S   OS   _O29    45     1.36489   110.22211    65.61786
   52    51 S   CT   _C16    46     1.44266   117.88510  -174.83590
   53    52 S   HC   _H36    47     1.10054   108.84928    42.50865
   54    52 S   CT   _C15    48     1.53581   111.66333   -76.61272
   55    54 S   HC   _H35    49     1.09634   108.87937    72.83407
   56    54 S   CA   _C7_    50     1.50483   109.84330  -167.43489
   57    54 S   OS   _O28    75     1.44288   110.68423   -49.26102
   58    56 S   CA   _C8_    51     1.39888   121.09197    17.84475
   59    57 S   CO4  _C13    76     1.36093   118.30077   107.07809
   60    59 S   O    _O23    77     1.22271   126.75877    -0.03426
   61    58 S   CA   _C5_    52     1.39987   120.37920  -178.83955
   62    61 S   HA   _H32    53     1.08736   120.03594   178.97645
   63    58 S   OS   _O26    65     1.36897   124.41930    -0.08847
   64    59 S   CT   _C18    78     1.49820   109.31361  -179.58978
   65    64 S   HC   _H37    79     1.09291   109.84465   -60.18689
   66    64 S   HC   _H38    80     1.09375   109.36659  -179.22016
   67    64 S   HC   _H39    81     1.09297   109.76229    61.72452
   68    61 S   CA   _C4_    54     1.39590   120.62886    -0.96652
   69    68 S   HA   _H31    55     1.08698   119.15790  -179.96044
   70    52 S   CT   _C17    66     1.54851   109.26531   159.35700
   71    68 S   CA   _C6_    56     1.39390   119.88451     0.02798
   72    70 S   CT   _C19    67     1.54007   109.05963   -62.95962
   73    72 S   HC   _H40    68     1.09644   110.94318  -175.06406
   74    72 S   HC   _H41    69     1.09414   112.07254    63.77928
   75    72 S   HC   _H42    70     1.09464   110.70330   -57.64903
   76    70 S   CT   _C20    71     1.53834   114.68339    57.34094
   77    76 S   HC   _H43    72     1.09685   110.47375  -173.69034
   78    76 S   HC   _H44    73     1.09387   112.15973    69.37788
   79    76 S   HC   _H45    74     1.09452   111.94823   -53.25734
   80    56 S   CA   _C9_    57     1.40422   121.00819  -162.45047
   81    80 S   OS   _O25    58     1.41524   118.13452    -0.67753
   82    81 S   CO4  _C12    59     1.38947   122.30219   179.92598
   83    82 S   O    _O22    60     1.22587   122.17367   179.65908
   84    82 S   CM   _C11    61     1.47291   116.63777    -0.26541
   85    84 S   HC   _H34    62     1.08418   117.17018  -179.75934
   86    71 S   CM   _C10    63     1.45362   121.82354  -179.80820
   87    86 S   HC   _H33    64     1.08450   118.99845    -0.08847
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1   7   3   2   1  10  12   4   6   3   2   1
   2   1  10  18   8  15   6  13   9  11   5   4   8   4  11   3
   2   1   1   7   3   8   7   7   3   2   1   3   2   1   1   6
   5   5   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    45    46    47    48    49    50  
   38    39    40    41    42    43    45    49  
   36    37  
   37  
    0  
   39    40    41    42    43    45    49  
   40    41    42  
   41    42  
   42  
   43    44    51    52    45    46    47    48    49    50  
   44    51    52    53    54    70    45    46    47    48    49    50  
   51    52    45    49  
   46    47    48    49    50    51  
   47    48    49  
   48    49  
   49  
   50    51  
    0  
   52    53    54    55    56    63    70    72    76    57  
   53    54    55    56    58    80    63    70    72    73    74    75    76    77    78    79    57    59  
   54    55    56    63    70    72    76    57  
   55    56    58    61    71    80    81    63    70    72    76    57    59    60    64  
   56    58    80    70    57    59  
   58    61    62    68    71    80    81    82    86    63    70    57    59  
   59    60    64    65    66    67    58    70    80  
   61    62    68    69    71    80    81    63    70    72    76  
   60    64    65    66    67  
   64    65    66    67  
   62    68    69    71    80    86    63    70  
   68    69    71    63  
   70    72    73    74    75    76    77    78    79    68    80  
   65    66    67  
   66    67  
   67  
    0  
   69    71    80    81    84    86    87  
   71    80    86  
   72    73    74    75    76    77    78    79  
   80    81    82    84    85    86    87  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    86    87  
   82    83    84    85    86  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   317.000  1.522
   42    45   268.000  1.529
   42    49   320.000  1.410
   43    44   570.000  1.229
   43    51   214.000  1.327
   51    52   320.000  1.410
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    70   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    57   320.000  1.410
   56    58   469.000  1.400
   56    80   469.000  1.400
   58    61   469.000  1.400
   58    63   450.000  1.364
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    80   469.000  1.400
   71    86   320.000  1.460
   80    81   450.000  1.364
   81    82   214.000  1.327
   82    83   570.000  1.229
   82    84   320.000  1.462
   84    85   340.000  1.080
   84    86   549.000  1.340
   86    87   340.000  1.080
   63    70   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    63.00000  111.10000
   33    42    45    58.35000  112.70000
   33    42    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    43    44    80.00000  120.40000
   42    43    51    81.00000  111.40000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   42    49    50    55.00000  108.50000
   43    51    52    83.00000  116.90000
   51    43    44    83.00000  123.40000
   51    52    53    35.00000  109.50000
   51    52    54    50.00000  109.50000
   51    52    70    50.00000  109.50000
   52    54    55    37.50000  110.70000
   52    54    56    70.00000  112.17500
   52    54    57    50.00000  109.50000
   52    70    63    50.00000  109.50000
   52    70    72    58.35000  112.70000
   52    70    76    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    56    58    70.00000  120.00000
   54    56    80    70.00000  120.00000
   54    57    59    83.00000  116.90000
   56    54    55    35.00000  109.50000
   56    58    61    63.00000  120.00000
   56    58    63    70.00000  120.00000
   56    80    71    63.00000  120.00000
   56    80    81    70.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    68    63.00000  120.00000
   58    63    70    75.00000  111.00000
   61    68    69    35.00000  120.00000
   61    68    71    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    71    80    63.00000  120.00000
   68    71    86    60.00000  120.93500
   71    68    69    35.00000  120.00000
   71    80    81    70.00000  120.00000
   71    86    84    60.00000  123.20500
   71    86    87    40.00000  117.26300
   80    56    58    63.00000  120.00000
   80    81    82    85.00000  115.98000
   81    82    83    83.00000  123.40000
   81    82    84    90.00000  111.29400
   82    84    85    40.00000  117.72500
   82    84    86    65.00000  118.96000
   84    82    83    80.00000  123.72100
   84    86    87    35.00000  120.00000
   86    71    80    60.00000  120.93500
   86    84    85    35.00000  120.00000
   63    58    61    70.00000  120.00000
   63    70    72    50.00000  109.50000
   63    70    76    50.00000  109.50000
   70    52    53    37.50000  110.70000
   70    52    54    58.35000  112.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    85.00000  111.85700
   57    59    60    83.00000  123.40000
   57    59    64    81.00000  111.40000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   64    59    60    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    42    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    42    43    90.00000  109.61100
   49    42    45    50.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    45   0.44750  1.0 1.0
   29    33    42    45  -0.17800 -1.0 2.0
   29    33    42    45   0.20200  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    42    43    44   0.30150 -1.0 2.0
   33    42    43    51   0.36750  1.0 3.0
   33    42    45    46   0.15000  1.0 3.0
   33    42    45    47   0.15000  1.0 3.0
   33    42    45    48   0.15000  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43  -0.11250  1.0 3.0
   34    33    42    45   0.15000  1.0 3.0
   34    33    42    49   0.23400  1.0 3.0
   38    33    42    43  -0.95700  1.0 1.0
   38    33    42    43  -0.18200 -1.0 2.0
   38    33    42    43   0.29450  1.0 3.0
   38    33    42    45   0.56750  1.0 1.0
   38    33    42    45  -0.07550 -1.0 2.0
   38    33    42    45   0.20000  1.0 3.0
   38    33    42    49   0.86500  1.0 1.0
   38    33    42    49  -0.17500 -1.0 2.0
   38    33    42    49   0.20800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    51    52   1.63150  1.0 1.0
   42    43    51    52   2.92000 -1.0 2.0
   43    42    45    46  -0.11250  1.0 3.0
   43    42    45    47  -0.11250  1.0 3.0
   43    42    45    48  -0.11250  1.0 3.0
   43    42    49    50   0.91850  1.0 1.0
   43    42    49    50   0.57950  1.0 3.0
   43    51    52    53   0.08050  1.0 3.0
   43    51    52    54  -0.25900  1.0 1.0
   43    51    52    54  -0.47000 -1.0 2.0
   43    51    52    54   0.11750  1.0 3.0
   43    51    52    70  -0.25900  1.0 1.0
   43    51    52    70  -0.47000 -1.0 2.0
   43    51    52    70   0.11750  1.0 3.0
   44    43    51    52   3.00000 -1.0 2.0
   51    52    54    55   0.23400  1.0 3.0
   51    52    54    56  -0.64350  1.0 1.0
   51    52    54    56  -0.04200 -1.0 2.0
   51    52    54    56   0.19800  1.0 3.0
   51    52    54    57   1.11900  1.0 1.0
   51    52    54    57  -1.16350 -1.0 2.0
   51    52    54    57  -0.34150  1.0 3.0
   51    52    70    63   1.11900  1.0 1.0
   51    52    70    63  -1.16350 -1.0 2.0
   51    52    70    63  -0.34150  1.0 3.0
   51    52    70    72   0.62750  1.0 1.0
   51    52    70    72  -0.30950 -1.0 2.0
   51    52    70    72   0.27300  1.0 3.0
   51    52    70    76   0.62750  1.0 1.0
   51    52    70    76  -0.30950 -1.0 2.0
   51    52    70    76   0.27300  1.0 3.0
   52    54    56    58   0.04150 -1.0 2.0
   52    54    56    80   0.04150 -1.0 2.0
   52    54    57    59  -0.25900  1.0 1.0
   52    54    57    59  -0.47000 -1.0 2.0
   52    54    57    59   0.11750  1.0 3.0
   52    70    72    73   0.15000  1.0 3.0
   52    70    72    74   0.15000  1.0 3.0
   52    70    72    75   0.15000  1.0 3.0
   52    70    76    77   0.15000  1.0 3.0
   52    70    76    78   0.15000  1.0 3.0
   52    70    76    79   0.15000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.43200  1.0 3.0
   53    52    54    57   0.23400  1.0 3.0
   53    52    70    63   0.23400  1.0 3.0
   53    52    70    72   0.15000  1.0 3.0
   53    52    70    76   0.15000  1.0 3.0
   54    52    70    63   0.62750  1.0 1.0
   54    52    70    63  -0.30950 -1.0 2.0
   54    52    70    63   0.27300  1.0 3.0
   54    52    70    72   0.56750  1.0 1.0
   54    52    70    72  -0.07550 -1.0 2.0
   54    52    70    72   0.20000  1.0 3.0
   54    52    70    76   0.56750  1.0 1.0
   54    52    70    76  -0.07550 -1.0 2.0
   54    52    70    76   0.20000  1.0 3.0
   54    56    58    61   3.62500 -1.0 2.0
   54    56   -58    63   3.62500 -1.0 2.0
   54    56    80    71   3.62500 -1.0 2.0
   54    56    80    81   3.62500 -1.0 2.0
   54    57    59    60   3.00000 -1.0 2.0
   54    57    59    64   1.63150  1.0 1.0
   54    57    59    64   2.92000 -1.0 2.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    80   0.00000  1.0 1.0
   55    54    57    59   0.08050  1.0 3.0
   56    54    57    59  -0.43900 -1.0 2.0
   56    54    57    59   0.14100  1.0 3.0
   56    58    61    62   3.62500 -1.0 2.0
   56    58    61    68   3.62500 -1.0 2.0
   56    58    63    70   1.63200 -1.0 2.0
   56    80    81    82   0.01300  1.0 1.0
   56    80    81    82   0.97950 -1.0 2.0
   56    80    81    82  -0.55700  1.0 3.0
   58    56    80    71   3.62500 -1.0 2.0
   58    56    80    81   3.62500 -1.0 2.0
   58    61    68    69   3.62500 -1.0 2.0
   58    61   -68    71   3.62500 -1.0 2.0
   58    63   -70    52  -0.32850  1.0 1.0
   58    63   -70    52  -0.35800 -1.0 2.0
   58    63   -70    52   0.33950  1.0 3.0
   58    63    70    72  -0.32850  1.0 1.0
   58    63    70    72  -0.35800 -1.0 2.0
   58    63    70    72   0.33950  1.0 3.0
   58    63    70    76  -0.32850  1.0 1.0
   58    63    70    76  -0.35800 -1.0 2.0
   58    63    70    76   0.33950  1.0 3.0
   61    58    63    70   1.63200 -1.0 2.0
   61    68    71    80   3.62500 -1.0 2.0
   61    68    71    86   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    71   3.62500 -1.0 2.0
   68    71   -80    56   3.62500 -1.0 2.0
   68    71    80    81   3.62500 -1.0 2.0
   68    71    86    84   0.15800  1.0 1.0
   68    71    86    84   1.85350 -1.0 2.0
   68    71    86    84  -0.48700  1.0 3.0
   68    71    86    87   0.56550  1.0 3.0
   69    68    71    80   3.62500 -1.0 2.0
   69    68    71    86   3.62500 -1.0 2.0
   71    80    81    82   0.01300  1.0 1.0
   71    80    81    82   0.97950 -1.0 2.0
   71    80    81    82  -0.55700  1.0 3.0
   80    56   -58    61   3.62500 -1.0 2.0
   80    56    58    63   3.62500 -1.0 2.0
   80    71    86    84   0.15800  1.0 1.0
   80    71    86    84   1.85350 -1.0 2.0
   80    71    86    84  -0.48700  1.0 3.0
   80    71    86    87   0.56550  1.0 3.0
   80    81    82    83   3.00000 -1.0 2.0
   80    81   -82    84   2.00000 -1.0 2.0
   81    82    84    85   1.63100 -1.0 2.0
   81    82    84    86  -0.56150  1.0 1.0
   81    82    84    86   2.19150 -1.0 2.0
   82    84   -86    71   7.00000 -1.0 2.0
   82    84    86    87   7.00000 -1.0 2.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   1.00000 -1.0 2.0
   85    84    86    71   7.00000 -1.0 2.0
   85    84    86    87   7.00000 -1.0 2.0
   86    71    80    56   3.62500 -1.0 2.0
   86    71   -80    81   3.62500 -1.0 2.0
   63    58    61    62   3.62500 -1.0 2.0
   63    58    61    68   3.62500 -1.0 2.0
   63    70    72    73   0.23400  1.0 3.0
   63    70    72    74   0.23400  1.0 3.0
   63    70    72    75   0.23400  1.0 3.0
   63    70    76    77   0.23400  1.0 3.0
   63    70    76    78   0.23400  1.0 3.0
   63    70    76    79   0.23400  1.0 3.0
   70    52    54    55   0.15000  1.0 3.0
   70    52   -54    56  -0.03700  1.0 1.0
   70    52   -54    56   0.37200 -1.0 2.0
   70    52   -54    56  -0.47300  1.0 3.0
   70    52    54    57   0.62750  1.0 1.0
   70    52    54    57  -0.30950 -1.0 2.0
   70    52    54    57   0.27300  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   57    54    56    58   0.64500  1.0 1.0
   57    54    56    58   0.14800 -1.0 2.0
   57    54    56    58   0.20650  1.0 3.0
   57    54    56    80   0.64500  1.0 1.0
   57    54    56    80   0.14800 -1.0 2.0
   57    54    56    80   0.20650  1.0 3.0
   57    59    64    65   0.00000  1.0 1.0
   57    59    64    66   0.00000  1.0 1.0
   57    59    64    67   0.00000  1.0 1.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    67   0.00000  1.0 1.0
   45    42    43    44   0.30150 -1.0 2.0
   45    42    43    51   0.36750  1.0 3.0
   45    42    49    50  -0.11600  1.0 1.0
   45    42    49    50  -0.09450 -1.0 2.0
   45    42    49    50   0.21250  1.0 3.0
   49    42    43    44   0.30150 -1.0 2.0
   49    42    43    51   0.30750  1.0 1.0
   49    42    43    51   1.13850 -1.0 2.0
   49    42    43    51   0.38850  1.0 3.0
   49    42    45    46   0.23400  1.0 3.0
   49    42    45    47   0.23400  1.0 3.0
   49    42    45    48   0.23400  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
   37    30    35    36  10.50000 -1.0 2.0
   42    51    43    44  10.50000 -1.0 2.0
   58    80    56    54   4.00000 -1.0 2.0
   61    63    58    56   4.00000 -1.0 2.0
   68    62    61    58   1.10000 -1.0 2.0
   71    69    68    61   1.10000 -1.0 2.0
   80    86    71    68   4.00000 -1.0 2.0
   71    81    80    56   4.00000 -1.0 2.0
   81    84    82    83  10.50000 -1.0 2.0
   82    85    84    86   1.10000 -1.0 2.0
   71    87    86    84   1.10000 -1.0 2.0
   57    64    59    60  10.50000 -1.0 2.0
END
