* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    164    246     466
    1     0 S   NP   _N1_     1    28.48769    94.77270   -24.51868
    2     1 S   H    _HN1     2     1.02777   109.77123  -101.73058
    3     1 S   H    _H1_     3     1.02958    83.62582     5.50103
    4     1 S   H    _H2_     4     1.02837    24.52589   168.34283
    5     1 S   CT   _CA1     5     1.50128   127.71683   116.40500
    6     5 S   HC   _HA1     6     1.09574   105.22247    79.61259
    7     5 S   CO3  _C1_     7     1.53791   112.36665   -40.59437
    8     7 S   O2Z  _O11     8     1.26365   114.99695   -43.93850
    9     7 S   O2Z  _O12     9     1.26236   114.93381   135.18674
   10     5 S   CT   _CB1    10     1.53100   107.42479  -162.46910
   11    10 S   HC   HB11    11     1.09826   109.34946   -50.50325
   12    10 S   HC   HB12    12     1.09816   110.41861    66.05707
   13    10 S   CT   _CG1    13     1.53014   112.66546  -171.57531
   14    13 S   HC   HG11    14     1.09596   110.48486   -64.03691
   15    13 S   HC   HG12    15     1.09655   109.93191    55.16628
   16    13 S   C    _CD1    16     1.51833   112.32144   175.54671
   17    16 S   O    _OE1    17     1.22743   123.30746    -0.16313
   18    16 S   N    _N2_    18     1.38565   111.70582   179.73312
   19    18 S   H    _HN2    19     1.01575   118.99217     4.85365
   20    18 S   CT1  _CA2    20     1.45830   122.86106   177.88289
   21    20 S   HC   _HA2    21     1.09683   109.19423    21.32373
   22    20 S   C    _C2_    22     1.52675   106.18437   -96.49502
   23    22 S   O    _O2_    23     1.23021   122.51563   -41.13074
   24    20 S   CT   _CB2    32     1.53233   112.07361   144.64873
   25    24 S   HC   HB21    33     1.09426   110.00083    52.71608
   26    24 S   HC   HB22    34     1.09380   109.63211   171.46355
   27    22 S   N    _N3_    24     1.38402   112.98052   141.12712
   28    27 S   H    _HN3    25     1.01633   120.54793    -2.21911
   29    24 S   S    _SG2    35     1.82749   110.46237   -68.41672
   30    27 S   CT   _CA3    26     1.45392   122.27225   178.71610
   31    30 S   HC   HA31    27     1.09570   107.24116   -66.56325
   32    30 S   HC   HA32    28     1.09561   108.16590    49.76193
   33    29 S   CT   _C12    36     1.85290   101.64668   174.79579
   34    30 S   CO3  _C3_    29     1.52847   114.45237   171.69996
   35    34 S   O2Z  _O31    30     1.26307   116.05956    -9.39375
   36    34 S   O2Z  _O32    31     1.26431   114.43375   170.63636
   37    33 S   CT   _C8_    37     1.55954   108.32227   165.53252
   38    37 S   HC   _H3_    38     1.09967   110.11243   -44.91306
   39    33 S   CT   _C13    84     1.54200   108.39385   -71.78025
   40    39 S   HC   _H16    85     1.09508   111.66175    70.53859
   41    39 S   HC   _H17    86     1.09595   112.12397   -50.32975
   42    39 S   HC   _H18    87     1.09558   111.76008  -170.32663
   43    37 S   CO4  _C9_    39     1.52443   100.77849  -156.27701
   44    43 S   O    _O33    40     1.22484   124.79060  -163.28323
   45    37 S   CT   _C7_    73     1.53422   115.75855    81.47639
   46    45 S   HC   _H12    74     1.09656   109.86576   -45.85683
   47    45 S   HC   _H13    75     1.09388   110.41048    71.23634
   48    43 S   CT   _C10    41     1.50959   112.46490    17.25814
   49    48 S   HC   _H14    42     1.09251   109.80356   128.80595
   50    48 S   HC   _H15    43     1.09344   108.52944  -109.72752
   51    45 S   CM   _C6_    76     1.50502   112.10261  -164.14077
   52    51 S   HC   _H11    77     1.08942   115.09220    64.15577
   53    33 S   CT   _C11    44     1.55069   113.99768    52.05030
   54    53 S   HC   _H4_    45     1.09662   112.06664   -79.49272
   55    51 S   CM   _C5_    78     1.34173   127.93754  -117.03465
   56    55 S   HC   _H10    79     1.08874   117.18010  -179.16890
   57    53 S   OS   _O34    46     1.44441   110.15842    43.01903
   58    55 S   CT   _C4_    80     1.49311   127.88060     1.42917
   59    58 S   HC   _H7_    81     1.09437   109.73625  -118.10495
   60    58 S   HC   _H8_    82     1.09467   109.54944   123.37377
   61    58 S   HC   _H9_    83     1.09171   113.63494     3.00941
   62    57 S   CO4  _C14    47     1.36042   117.02918  -162.34646
   63    62 S   O    _O35    48     1.22230   126.75818    -5.47761
   64    62 S   C3T  _C15    49     1.47961   111.07853   175.78323
   65    64 S   HC   _H5_    50     1.08674   112.62584    93.38350
   66    64 S   C3T  _C16    51     1.51592   119.60355   -51.21216
   67    66 S   HC   _H6_    52     1.08673   116.80110    -3.74983
   68    64 S   C3T  _C17    53     1.52024   121.33399  -122.13865
   69    66 S   CM   _C20    62     1.46973   119.05883   137.41273
   70    69 S   HC   _H25    63     1.08876   115.26278   -25.83260
   71    68 S   CT   _C18    54     1.50944   119.93788     2.91725
   72    71 S   HC   _H19    55     1.09491   110.32431   -79.97689
   73    71 S   HC   _H20    56     1.09438   110.12863   160.73403
   74    71 S   HC   _H21    57     1.09464   112.51819    40.72565
   75    68 S   CT   _C19    58     1.51020   116.97503  -140.31157
   76    75 S   HC   _H22    59     1.09526   110.13618    90.63216
   77    75 S   HC   _H23    60     1.09503   112.63270   -29.17356
   78    75 S   HC   _H24    61     1.09504   110.31617  -150.01432
   79    69 S   CM   _C21    64     1.34708   127.07471   155.02319
   80    79 S   CT   _C22    65     1.50290   121.30374   179.80719
   81    80 S   HC   _H26    66     1.09489   110.24099   120.17002
   82    80 S   HC   _H27    67     1.09488   110.26235  -120.00569
   83    80 S   HC   _H28    68     1.09506   112.32011     0.09891
   84    79 S   CT   _C23    69     1.50289   123.58400    -0.25023
   85    84 S   HC   _H29    70     1.09496   110.16786   121.35942
   86    84 S   HC   _H30    71     1.09487   110.16068  -119.00452
   87    84 S   HC   _H31    72     1.09324   112.87004     1.28390
  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  13   5   4   3
  19   2   1   1  19   9   9   3   2   1  11   5   9   4   3   6
   4   3   7   3   5   2   5   4   6   3   2   1   1   9   4  15
   6  15   6  11  12   3   7   3   2   1   3   2   1   1   8   7
   3   2   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    53    54    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    53    54    57    62    45    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    53    54    57    45    46    47    51    52    55    39    40    41    42  
   43    44    48    53    45    46    47    51    39  
   40    41    42    43    45    48    53    54    57  
   41    42    53  
   42    53  
   53  
   44    48    49    50    53    54    57    45    46    47    51  
   48    49    50    53    45  
   46    47    51    52    55    56    58    48    53  
   47    51    52    55  
   51    52    55  
   49    50    53    54    57    62  
   50    53    54    57  
   53    54    57  
   52    55    56    58    59    60    61  
   55    56    58  
   54    57    62    63    64  
   57    62  
   56    58    59    60    61  
   58    59    60    61  
   62    63    64    65    66    68  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    71    75    69  
   64    65    66    68  
   65    66    67    68    71    72    73    74    75    76    77    78    69    70    79  
   66    67    68    71    75    69  
   67    68    71    72    73    74    75    76    77    78    69    70    79    80    84  
   68    71    75    69    70    79  
   71    72    73    74    75    76    77    78    69    70    79  
   70    79    80    81    82    83    84    85    86    87    71    75  
   79    80    84  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   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   0.167500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    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    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    57   320.000  1.410
   57    62   214.000  1.327
   62    63   570.000  1.229
   62    64   290.000  1.496
   64    65   340.000  1.088
   64    66   260.000  1.509
   64    68   260.000  1.509
   66    67   340.000  1.088
   66    68   260.000  1.509
   66    69   305.000  1.480
   68    71   275.000  1.510
   68    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    70   340.000  1.080
   69    79   549.000  1.340
   79    80   317.000  1.510
   79    84   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    57    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    51    70.00000  112.02700
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    53    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    53    54    37.50000  110.70000
   48    53    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    57    62    83.00000  116.90000
   57    53    54    35.00000  109.50000
   57    62    63    83.00000  123.40000
   57    62    64    81.00000  111.40000
   62    64    65    40.00000  116.18000
   62    64    66    65.00000  117.18000
   62    64    68    65.00000  117.18000
   64    62    63    75.00000  121.36600
   64    66    67    37.50000  117.20000
   64    66    68    10.00000   60.00500
   64    66    69    60.00000  120.58800
   64    68    66    10.00000   60.00500
   64    68    71    60.00000  120.94000
   64    68    75    60.00000  120.94000
   66    64    65    37.50000  117.20000
   66    68    71    60.00000  120.94000
   66    68    75    60.00000  120.94000
   66    69    70    40.00000  117.24000
   66    69    79    55.00000  125.06700
   68    64    65    37.50000  117.20000
   68    64    66    10.00000   60.00500
   68    66    67    37.50000  117.20000
   68    71    72    45.00000  109.38400
   68    71    73    45.00000  109.38400
   68    71    74    45.00000  109.38400
   68    75    76    45.00000  109.38400
   68    75    77    45.00000  109.38400
   68    75    78    45.00000  109.38400
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    66    67    40.00000  112.45000
   69    66    68    60.00000  120.58800
   69    79    80    70.00000  124.00000
   69    79    84    70.00000  124.00000
   79    69    70    35.00000  120.00000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    79    80    65.00000  117.92700
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    51    52    35.00000  117.00000
   45    51    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    58    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   58    55    56    35.00000  117.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    48   0.60050  1.0 1.0
   33    37   -43    48   0.05600 -1.0 2.0
   33    37   -43    48   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    51   0.34400  1.0 1.0
   33    37    45    51   0.09450 -1.0 2.0
   33    37    45    51   0.11100  1.0 3.0
   33    53    57    62  -0.25900  1.0 1.0
   33    53    57    62  -0.47000 -1.0 2.0
   33    53    57    62   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57   0.62750  1.0 1.0
   37    33    53    57  -0.30950 -1.0 2.0
   37    33    53    57   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43   -48    53   0.60050  1.0 1.0
   37    43   -48    53   0.05600 -1.0 2.0
   37    43   -48    53   0.26150  1.0 3.0
   37    45    51    52   0.00000  1.0 1.0
   37    45    51    55   0.09850  1.0 1.0
   37    45    51    55   0.15250 -1.0 2.0
   37    45    51    55  -0.50650  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   43    37    45    46  -0.11250  1.0 3.0
   43    37    45    47  -0.11250  1.0 3.0
   43    37    45    51  -0.98800  1.0 1.0
   43    37    45    51   0.48800 -1.0 2.0
   43    37    45    51   0.76800  1.0 3.0
   43    48   -53    33  -0.95700  1.0 1.0
   43    48   -53    33  -0.18200 -1.0 2.0
   43    48   -53    33   0.29450  1.0 3.0
   43    48    53    54  -0.11250  1.0 3.0
   43    48    53    57  -0.09450  1.0 1.0
   43    48    53    57  -1.12950 -1.0 2.0
   43    48    53    57   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    53   0.30150 -1.0 2.0
   48    53    57    62  -0.25900  1.0 1.0
   48    53    57    62  -0.47000 -1.0 2.0
   48    53    57    62   0.11750  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    57   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    43  -0.95700  1.0 1.0
   53    33   -37    43  -0.18200 -1.0 2.0
   53    33   -37    43   0.29450  1.0 3.0
   53    33    37    45   0.56750  1.0 1.0
   53    33    37    45  -0.07550 -1.0 2.0
   53    33    37    45   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    42   0.15000  1.0 3.0
   53    57    62    63   3.00000 -1.0 2.0
   53    57    62    64   1.63150  1.0 1.0
   53    57    62    64   2.92000 -1.0 2.0
   54    53    57    62   0.08050  1.0 3.0
   57    62    64    65   0.00000  1.0 1.0
   57    62    64    66   0.36750  1.0 3.0
   57    62    64    68   0.36750  1.0 3.0
   62    64    66    67   0.15000  1.0 3.0
   62    64   -66    68  -0.95700  1.0 1.0
   62    64   -66    68  -0.18200 -1.0 2.0
   62    64   -66    68   0.29450  1.0 3.0
   62    64    66    69  -0.98800  1.0 1.0
   62    64    66    69   0.48800 -1.0 2.0
   62    64    66    69   0.76800  1.0 3.0
   62    64   -68    66  -0.95700  1.0 1.0
   62    64   -68    66  -0.18200 -1.0 2.0
   62    64   -68    66   0.29450  1.0 3.0
   62    64    68    71  -0.95700  1.0 1.0
   62    64    68    71  -0.18200 -1.0 2.0
   62    64    68    71   0.29450  1.0 3.0
   62    64    68    75  -0.95700  1.0 1.0
   62    64    68    75  -0.18200 -1.0 2.0
   62    64    68    75   0.29450  1.0 3.0
   63    62    64    65   0.50000  1.0 3.0
   63    62    64    66   0.30150 -1.0 2.0
   63    62    64    68   0.30150 -1.0 2.0
   64    66   -68    71   0.07850  1.0 1.0
   64    66   -68    71  -0.03950 -1.0 2.0
   64    66   -68    71   0.67350  1.0 3.0
   64    66   -68    75   0.07850  1.0 1.0
   64    66   -68    75  -0.03950 -1.0 2.0
   64    66   -68    75   0.67350  1.0 3.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    79   0.09850  1.0 1.0
   64    66    69    79   0.15250 -1.0 2.0
   64    66    69    79  -0.50650  1.0 3.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    74   0.15000  1.0 3.0
   64    68    75    76   0.15000  1.0 3.0
   64    68    75    77   0.15000  1.0 3.0
   64    68    75    78   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64   -66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64   -68    66   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    68    75   0.15000  1.0 3.0
   66    64   -68    71   0.07850  1.0 1.0
   66    64   -68    71  -0.03950 -1.0 2.0
   66    64   -68    71   0.67350  1.0 3.0
   66    64   -68    75   0.07850  1.0 1.0
   66    64   -68    75  -0.03950 -1.0 2.0
   66    64   -68    75   0.67350  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68    71    74   0.15000  1.0 3.0
   66    68    75    76   0.15000  1.0 3.0
   66    68    75    77   0.15000  1.0 3.0
   66    68    75    78   0.15000  1.0 3.0
   66    69    79    80   7.00000 -1.0 2.0
   66    69    79    84   7.00000 -1.0 2.0
   67    66   -68    64   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    75   0.15000  1.0 3.0
   67    66    69    70   0.33100  1.0 3.0
   67    66    69    79   0.00000  1.0 1.0
   68    64   -66    67   0.15000  1.0 3.0
   68    64   -66    69   0.34400  1.0 1.0
   68    64   -66    69   0.09450 -1.0 2.0
   68    64   -66    69   0.11100  1.0 3.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    79   0.09850  1.0 1.0
   68    66    69    79   0.15250 -1.0 2.0
   68    66    69    79  -0.50650  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
   69    66   -68    64   0.34400  1.0 1.0
   69    66   -68    64   0.09450 -1.0 2.0
   69    66   -68    64   0.11100  1.0 3.0
   69    66    68    71   0.34400  1.0 1.0
   69    66    68    71   0.09450 -1.0 2.0
   69    66    68    71   0.11100  1.0 3.0
   69    66    68    75   0.34400  1.0 1.0
   69    66    68    75   0.09450 -1.0 2.0
   69    66    68    75   0.11100  1.0 3.0
   69    79    80    81   0.00000  1.0 1.0
   69    79    80    82   0.00000  1.0 1.0
   69    79    80    83   0.00000  1.0 1.0
   69    79    84    85   0.00000  1.0 1.0
   69    79    84    86   0.00000  1.0 1.0
   69    79    84    87   0.00000  1.0 1.0
   70    69    79    80   7.00000 -1.0 2.0
   70    69    79    84   7.00000 -1.0 2.0
   80    79    84    85   0.34800  1.0 3.0
   80    79    84    86   0.34800  1.0 3.0
   80    79    84    87   0.34800  1.0 3.0
   84    79    80    81   0.34800  1.0 3.0
   84    79    80    82   0.34800  1.0 3.0
   84    79    80    83   0.34800  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   0.60050  1.0 1.0
   45    37    43    48   0.05600 -1.0 2.0
   45    37    43    48   0.26150  1.0 3.0
   45    51    55    56   7.00000 -1.0 2.0
   45    51    55    58   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    55   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    55   0.00000  1.0 1.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55    58    61   0.00000  1.0 1.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    58   7.00000 -1.0 2.0
   56    55    58    59   0.33100  1.0 3.0
   56    55    58    60   0.33100  1.0 3.0
   56    55    58    61   0.33100  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    57   0.62750  1.0 1.0
   39    33    53    57  -0.30950 -1.0 2.0
   39    33    53    57   0.27300  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   57    64    62    63  10.50000 -1.0 2.0
   66    70    69    79  15.00000 -1.0 2.0
   80    84    79    69  15.00000 -1.0 2.0
   45    52    51    55  15.00000 -1.0 2.0
   58    56    55    51  15.00000 -1.0 2.0
END
