* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    154    227     452
    1     0 S   NP   _N1_     1    29.21568    94.56732   -25.66266
    2     1 S   H    _HN1     2     1.02825    29.87372  -173.93046
    3     1 S   H    _H1_     3     1.02794   118.78400   -98.55606
    4     1 S   H    _H2_     4     1.02946    77.20271     5.59822
    5     1 S   CT   _CA1     5     1.50135   122.63588   111.78815
    6     5 S   HC   _HA1     6     1.09575   105.14001    90.02466
    7     5 S   CO3  _C1_     7     1.53757   112.54203   -30.12615
    8     7 S   O2Z  _O11     8     1.26373   114.99443   -40.70451
    9     7 S   O2Z  _O12     9     1.26242   114.94415   138.31294
   10     5 S   CT   _CB1    10     1.53059   107.40483  -152.02062
   11    10 S   HC   HB11    11     1.09845   109.26272   -49.54236
   12    10 S   HC   HB12    12     1.09810   110.49059    67.03481
   13    10 S   CT   _CG1    13     1.53028   112.67171  -170.50237
   14    13 S   HC   HG11    14     1.09565   110.75020   -68.80513
   15    13 S   HC   HG12    15     1.09672   109.67856    50.45737
   16    13 S   C    _CD1    16     1.51796   111.94258   170.90318
   17    16 S   O    _OE1    17     1.22748   123.14118    13.74682
   18    16 S   N    _N2_    18     1.38662   111.83771  -166.16133
   19    18 S   H    _HN2    19     1.01565   119.02820     0.39267
   20    18 S   CT1  _CA2    20     1.46167   123.29032   175.64801
   21    20 S   HC   _HA2    21     1.09754   109.24037     7.49782
   22    20 S   C    _C2_    22     1.53732   108.95208  -108.01424
   23    22 S   O    _O2_    23     1.23087   122.19197  -150.99709
   24    20 S   CT   _CB2    32     1.53324   111.84387   129.53989
   25    24 S   HC   HB21    33     1.09591   110.21009    57.53700
   26    24 S   HC   HB22    34     1.09399   109.75302   176.33104
   27    22 S   N    _N3_    24     1.38261   113.94765    36.56414
   28    27 S   H    _HN3    25     1.01539   119.58160    -3.68201
   29    24 S   S    _SG2    35     1.82631   111.75613   -63.15628
   30    27 S   CT   _CA3    26     1.45265   123.38441   176.39891
   31    30 S   HC   HA31    27     1.09552   107.70494   -59.22803
   32    30 S   HC   HA32    28     1.09544   107.80517    57.24022
   33    29 S   CT   _C19    36     1.85944    99.54176  -176.29784
   34    33 S   HC   _H3_    37     1.09953   106.02816   -33.64382
   35    30 S   CO3  _C3_    29     1.52972   113.95422   179.04489
   36    35 S   O2Z  _O31    30     1.26392   116.04795    -1.92061
   37    35 S   O2Z  _O32    31     1.26416   114.43343   178.14385
   38    33 S   CT   _C18    38     1.55627   108.32772    81.77635
   39    38 S   HC   _H26    39     1.09765   109.43546  -170.94744
   40    38 S   HC   _H27    40     1.09735   109.79525   -57.03743
   41    33 S   CT   _C20    76     1.57871   111.42749  -151.38715
   42    41 S   OM   _O35    77     1.32813   107.14400   176.16028
   43    41 S   HC   _H4_    78     1.09940   106.29026   -55.02527
   44    38 S   CM   _C17    41     1.50700   115.29390    67.92873
   45    44 S   HC   _H25    42     1.08772   116.39416    68.94818
   46    41 S   CT   _C21    79     1.56651   111.59335    59.96477
   47    46 S   HC   _H28    80     1.09547   110.21260   -53.22607
   48    46 S   HC   _H29    81     1.10035   110.29522    62.78811
   49    44 S   CM   _C16    43     1.34140   123.58916  -111.27197
   50    49 S   HC   _H24    44     1.08725   119.41798     0.64011
   51    46 S   CT   _C22    82     1.53648   114.72946  -174.48335
   52    51 S   HC   _H30    83     1.09794   108.00543  -173.99090
   53    51 S   HC   _H31    84     1.09646   110.36935   -58.35744
   54    49 S   CM   _C15    45     1.44560   123.18633   179.68910
   55    54 S   HC   _H23    46     1.08769   117.02719     3.25528
   56    51 S   CO3  _C23    85     1.53225   116.59683    66.95693
   57    56 S   O2Z  _O34    86     1.26560   114.38271  -154.28634
   58    56 S   O2Z  _O33    87     1.26206   116.45321    27.26259
   59    54 S   CM   _C14    47     1.34194   122.78022  -176.07275
   60    59 S   HC   _H22    48     1.08546   119.12011     0.00000
   61    59 S   CM   _C13    49     1.44581   122.91092   179.73756
   62    61 S   HC   _H21    50     1.08909   116.06621     4.33110
   63    61 S   CM   _C12    51     1.34274   126.77805  -175.39866
   64    63 S   HC   _H20    52     1.08995   116.63738  -179.60833
   65    63 S   CT   _C11    53     1.50238   128.29727     0.49889
   66    65 S   HC   _H18    54     1.09267   112.65545    -8.75037
   67    65 S   HC   _H19    55     1.09732   108.20163  -124.34815
   68    65 S   CM   _C10    56     1.50186   111.40772   116.96368
   69    68 S   HC   _H17    57     1.08919   115.49815    76.62774
   70    68 S   CM   _C9_    58     1.34240   127.28397  -104.46127
   71    70 S   HC   _H16    59     1.08895   117.29881  -178.97703
   72    70 S   CT   _C8_    60     1.50134   127.29829     2.68015
   73    72 S   HC   _H14    61     1.09391   111.67308    11.87275
   74    72 S   HC   _H15    62     1.09701   108.10482   128.22173
   75    72 S   CT   _C7_    63     1.52926   111.31598  -111.22535
   76    75 S   HC   _H12    64     1.09743   109.70427    59.66831
   77    75 S   HC   _H13    65     1.09742   109.83620   -57.68936
   78    75 S   CT   _C6_    66     1.53007   111.23436  -179.06247
   79    78 S   HC   _H10    67     1.09659   109.53983    58.47851
   80    78 S   HC   _H11    68     1.09694   109.61224   -58.79862
   81    78 S   CT   _C5_    69     1.52833   111.28983   179.76593
   82    81 S   HC   _H8_    70     1.09618   109.86653   -59.46184
   83    81 S   HC   _H9_    71     1.09620   109.88022    58.28876
   84    81 S   CT   _C4_    72     1.51968   111.46109   179.38324
   85    84 S   HC   _H5_    73     1.09442   110.81620   -60.43552
   86    84 S   HC   _H6_    74     1.09449   111.01707    60.12147
   87    84 S   HC   _H7_    75     1.09443   110.35607   179.90721
  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
  14   8   2   1   1  11   5   4  10   5   4   6   3   8   5   4
   6   3   5   4   3   6   3   2   1   1   6   3   7   3   7   4
   7   4   3   7   3   8   4   9   5   4   9   5   4   9   5   4
   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    41    42    43    46    47    48    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    49    50    54    41    42    43    46  
   40    44    45    49    41  
   44    45    49    41  
   42    43    46    47    48    51    52    53    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    54    55    59  
   49    50    54  
   47    48    51    52    53    56    57    58  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    59    60    61  
   54    55    59  
   52    53    56    57    58  
   53    56    57    58  
   56    57    58  
   55    59    60    61    62    63  
   59    60    61  
   57    58  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68    69    70    71    72  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87  
   83    84    85    86    87  
   84    85    86    87  
   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  -0.120000   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    54   380.000  1.444
   54    55   340.000  1.080
   54    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   340.000  1.080
   70    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   317.000  1.522
   56    57   656.000  1.250
   56    58   656.000  1.250
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    70.00000  112.02700
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  117.00000
   38    44    49    70.00000  124.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    54    70.00000  123.01800
   49    44    45    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  123.01800
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    61    70.00000  123.01800
   59    54    55    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    70.00000  123.01800
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    70.00000  110.12100
   65    63    64    35.00000  117.00000
   65    68    69    35.00000  117.00000
   65    68    70    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    35.00000  120.00000
   68    70    72    70.00000  124.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    70.00000  112.02700
   72    70    71    35.00000  117.00000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    58.35000  112.70000
   43    41    42    45.00000  125.66300
   46    41    42    50.00000  109.50000
   46    41    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    70.00000  109.69300
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    70.00000  117.00000
   51    56    58    70.00000  117.00000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   58    56    57    80.00000  126.00000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    49   0.09850  1.0 1.0
   33    38    44    49   0.15250 -1.0 2.0
   33    38    44    49  -0.50650  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.56750  1.0 1.0
   33    41    46    51  -0.07550 -1.0 2.0
   33    41    46    51   0.20000  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    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    44    49    50   7.00000 -1.0 2.0
   38    44    49    54   7.00000 -1.0 2.0
   39    38    44    45   0.33100  1.0 3.0
   39    38    44    49   0.00000  1.0 1.0
   40    38    44    45   0.33100  1.0 3.0
   40    38    44    49   0.00000  1.0 1.0
   44    49    54    55  -0.18600  1.0 3.0
   44    49    54    59   0.28850  1.0 1.0
   44    49    54    59   2.61350 -1.0 2.0
   44    49    54    59   0.78400  1.0 3.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    54   7.00000 -1.0 2.0
   49    54    59    60   7.00000 -1.0 2.0
   49    54    59    61   7.00000 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    59  -0.18600  1.0 3.0
   54    59    61    62  -0.18600  1.0 3.0
   54    59    61    63   0.28850  1.0 1.0
   54    59    61    63   2.61350 -1.0 2.0
   54    59    61    63   0.78400  1.0 3.0
   55    54    59    60   7.00000 -1.0 2.0
   55    54    59    61   7.00000 -1.0 2.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    65   7.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63  -0.18600  1.0 3.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    65    68  -0.28300  1.0 1.0
   61    63    65    68   0.26700 -1.0 2.0
   61    63    65    68  -0.63300  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    68    69   0.00000  1.0 1.0
   63    65    68    70  -0.28300  1.0 1.0
   63    65    68    70   0.26700 -1.0 2.0
   63    65    68    70  -0.63300  1.0 3.0
   64    63    65    66   0.33100  1.0 3.0
   64    63    65    67   0.33100  1.0 3.0
   64    63    65    68   0.00000  1.0 1.0
   65    68    70    71   7.00000 -1.0 2.0
   65    68    70    72   7.00000 -1.0 2.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.33100  1.0 3.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    72    73   0.00000  1.0 1.0
   68    70    72    74   0.00000  1.0 1.0
   68    70    72    75   0.09850  1.0 1.0
   68    70    72    75   0.15250 -1.0 2.0
   68    70    72    75  -0.50650  1.0 3.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    72   7.00000 -1.0 2.0
   70    72    75    76   0.15000  1.0 3.0
   70    72    75    77   0.15000  1.0 3.0
   70    72    75    78   0.34400  1.0 1.0
   70    72    75    78   0.09450 -1.0 2.0
   70    72    75    78   0.11100  1.0 3.0
   71    70    72    73   0.33100  1.0 3.0
   71    70    72    74   0.33100  1.0 3.0
   71    70    72    75   0.00000  1.0 1.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.56750  1.0 1.0
   72    75    78    81  -0.07550 -1.0 2.0
   72    75    78    81   0.20000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84   0.56750  1.0 1.0
   75    78    81    84  -0.07550 -1.0 2.0
   75    78    81    84   0.20000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.34400  1.0 1.0
   41    33    38    44   0.09450 -1.0 2.0
   41    33    38    44   0.11100  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    56  -1.63150  1.0 1.0
   41    46    51    56  -0.43550 -1.0 2.0
   41    46    51    56   0.24500  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    51   0.62750  1.0 1.0
   42    41    46    51  -0.30950 -1.0 2.0
   42    41    46    51   0.27300  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   0.41150 -1.0 2.0
   46    51    56    58   0.41150 -1.0 2.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56  -0.11250  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56  -0.11250  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    44    49  15.00000 -1.0 2.0
   54    50    49    44  15.00000 -1.0 2.0
   49    55    54    59  15.00000 -1.0 2.0
   61    60    59    54  15.00000 -1.0 2.0
   59    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
   65    69    68    70  15.00000 -1.0 2.0
   72    71    70    68  15.00000 -1.0 2.0
   57    51    56    58  10.50000 -1.0 2.0
END
