* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    151    224     440
    1     0 S   NP   _N1_     1    30.63515    99.00147   -24.49862
    2     1 S   H    _HN1     2     1.02850    57.83884   -53.46126
    3     1 S   H    _H1_     3     1.02751    65.50316   174.23200
    4     1 S   H    _H2_     4     1.03478   157.64813  -109.36975
    5     1 S   CT   _CA1     5     1.50097    90.34464    61.18104
    6     5 S   HC   _HA1     6     1.09547   104.86713   123.11033
    7     5 S   CO3  _C1_     7     1.53671   113.35222     2.54991
    8     7 S   O2Z  _O11     8     1.26406   115.09684   -31.22612
    9     7 S   O2Z  _O12     9     1.26243   115.02705   148.15038
   10     5 S   CT   _CB1    10     1.53015   107.42932  -118.42824
   11    10 S   HC   HB11    11     1.09539   109.46759   -39.28828
   12    10 S   HC   HB12    12     1.09839   110.42749    76.30280
   13    10 S   CT   _CG1    13     1.53237   113.01785  -161.84033
   14    13 S   HC   HG11    14     1.09547   110.90509   -94.26881
   15    13 S   HC   HG12    15     1.09608   111.56946    25.01816
   16    13 S   C    _CD1    16     1.51549   109.32027   145.71411
   17    16 S   O    _OE1    17     1.22808   121.82917    85.89330
   18    16 S   N    _N2_    18     1.38557   112.53045   -90.77383
   19    18 S   H    _HN2    19     1.01605   119.16904    -5.36052
   20    18 S   CT1  _CA2    20     1.46208   123.61642   173.34675
   21    20 S   HC   _HA2    21     1.09710   109.24149    -8.08289
   22    20 S   C    _C2_    22     1.53855   109.07209  -123.92164
   23    22 S   O    _O2_    23     1.23093   122.02320  -157.85565
   24    20 S   CT   _CB2    32     1.53515   111.59824   114.27234
   25    24 S   HC   HB21    33     1.09345   109.02305    57.05696
   26    24 S   HC   HB22    34     1.09447   110.00027   175.46110
   27    22 S   N    _N3_    24     1.38309   114.12118    28.75538
   28    27 S   H    _HN3    25     1.01428   119.07671    -2.36538
   29    24 S   S    _SG2    35     1.82971   111.55356   -64.49041
   30    27 S   CT   _CA3    26     1.45326   123.44387   178.18717
   31    30 S   HC   HA31    27     1.09554   107.22200   -69.15545
   32    30 S   HC   HA32    28     1.09555   108.19762    47.18492
   33    29 S   CT   _C19    36     1.86366   101.56061   173.48401
   34    30 S   CO3  _C3_    29     1.53051   114.36509   169.20792
   35    34 S   O2Z  _O31    30     1.26435   116.32792    -8.01273
   36    34 S   O2Z  _O32    31     1.26407   114.45797   172.11646
   37    33 S   CM   _C18    37     1.52703   107.17340    65.08789
   38    37 S   HC   _H20    38     1.09139   114.91364    54.88200
   39    33 S   CT   _C20    75     1.54241   105.80718   178.85876
   40    39 S   HC   _H21    76     1.09573   112.41304    57.97313
   41    39 S   HC   _H22    77     1.09713   110.74060   178.00895
   42    39 S   HC   _H23    78     1.09778   112.15560   -62.75317
   43    33 S   CT   _C21    79     1.54595   111.95035   -61.38402
   44    43 S   HC   _H24    80     1.09741   111.04797    69.42006
   45    43 S   HC   _H25    81     1.09999   109.16916  -175.55124
   46    37 S   CM   _C17    39     1.34439   127.38959  -125.43957
   47    46 S   HC   _H19    40     1.08239   119.48878    -0.05595
   48    43 S   CO3  _C22    82     1.53390   117.04496   -54.50635
   49    48 S   O2Z  _O35    83     1.26362   115.12744    97.66188
   50    48 S   O2Z  _O34    84     1.26300   115.20520   -84.09381
   51    46 S   CM   _C16    41     1.45002   122.60791   179.87180
   52    51 S   HC   _H18    42     1.09071   114.04733     0.30001
   53    51 S   CM   _C15    43     1.35052   127.67422  -179.62102
   54    53 S   CM   _C14    44     1.46608   118.19653   179.95154
   55    54 S   HC   _H17    45     1.09020   115.64490     0.24228
   56    53 S   CT   _C23    71     1.50845   124.63320     0.04423
   57    56 S   HC   _H26    72     1.09585   110.45761  -119.47716
   58    56 S   HC   _H27    73     1.09585   110.47746   120.19560
   59    56 S   HC   _H28    74     1.09176   113.88226     0.39366
   60    54 S   CM   _C13    46     1.34453   126.68637   179.92087
   61    60 S   HC   _H16    47     1.08626   121.24403    -1.79188
   62    60 S   CM   _C6_    48     1.46306   123.80781  -178.49520
   63    62 S   CM   _C5_    49     1.35428   121.56556   -65.99542
   64    63 S   CO4  _C10    50     1.50256   119.84076  -178.50263
   65    64 S   O    _O33    51     1.23158   120.54590  -178.94798
   66    63 S   CT   _C4_    67     1.50717   126.09932    -1.22876
   67    66 S   HC   _H3_    68     1.09494   110.08171   110.42364
   68    66 S   HC   _H4_    69     1.09286   113.54469   -10.83467
   69    66 S   HC   _H5_    70     1.09578   110.51910  -129.83466
   70    64 S   CT   _C9_    52     1.50633   119.20082     3.84486
   71    70 S   HC   _H8_    53     1.09436   108.67390    91.98124
   72    70 S   HC   _H9_    54     1.09594   108.34698  -151.00915
   73    70 S   CT   _C8_    55     1.51485   110.87320   -31.52041
   74    73 S   HC   _H6_    56     1.09744   109.20231   178.44091
   75    73 S   HC   _H7_    57     1.09952   108.48102   -66.09227
   76    62 S   CT   _C7_    58     1.54050   114.87717   114.89711
   77    76 S   CT   _C11    59     1.54852   112.80619   -39.95412
   78    77 S   HC   _H10    60     1.09659   110.91347  -174.58745
   79    77 S   HC   _H11    61     1.09592   112.10824    66.12738
   80    77 S   HC   _H12    62     1.09634   111.34054   -54.84658
   81    76 S   CT   _C12    63     1.54371   109.44028    80.56904
   82    81 S   HC   _H13    64     1.09608   111.03684   173.94786
   83    81 S   HC   _H14    65     1.09547   112.03453    53.49908
   84    81 S   HC   _H15    66     1.09618   111.47229   -66.56155
  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  12   5   4   3
  15   2   1   1  14   5   8   3   2   1   6   4   3   6   3   2
   1   1   9   3   9  10   4   4   2   1   1   9   3  20  13  12
   5   5   2   1   1   8   5   4  11   4   3   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    53    54    56  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    60    56    57    58    59  
   53    54    56  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    76    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    73    76    77    81    66  
   62    63    76  
   63    64    65    70    73    74    75    76    77    78    79    80    81    82    83    84    66    67    68    69  
   64    65    70    71    72    73    76    77    81    66    67    68    69  
   65    70    71    72    73    74    75    76    66    67    68    69  
   70    71    72    73    66  
   67    68    69    70    76  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    81  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    81  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   380.000  1.444
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    76   317.000  1.510
   63    64   320.000  1.462
   63    66   317.000  1.510
   64    65   570.000  1.229
   64    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   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    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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    70.00000  109.69300
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  123.01800
   46    37    38    35.00000  120.00000
   46    51    52    35.00000  120.00000
   46    51    53    70.00000  123.01800
   51    46    47    35.00000  120.00000
   51    53    54    70.00000  123.01800
   51    53    56    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    70.00000  123.01800
   60    54    55    35.00000  120.00000
   60    62    63    70.00000  123.01800
   60    62    76    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    65.00000  118.96000
   62    63    66    70.00000  124.00000
   62    76    73    70.00000  112.02700
   62    76    77    70.00000  112.02700
   62    76    81    70.00000  112.02700
   63    64    65    80.00000  123.72100
   63    64    70    65.00000  118.62400
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    63.00000  111.10000
   70    64    65    80.00000  120.40000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    62    63    70.00000  124.00000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    78    37.50000  110.70000
   76    77    79    37.50000  110.70000
   76    77    80    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   66    63    64    65.00000  116.34900
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  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
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   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    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52  -0.18600  1.0 3.0
   37    46    51    53   0.28850  1.0 1.0
   37    46    51    53   2.61350 -1.0 2.0
   37    46    51    53   0.78400  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    56   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53  -0.18600  1.0 3.0
   51    53    54    55  -0.18600  1.0 3.0
   51    53    54    60   0.28850  1.0 1.0
   51    53    54    60   2.61350 -1.0 2.0
   51    53    54    60   0.78400  1.0 3.0
   51    53    56    57   0.00000  1.0 1.0
   51    53    56    58   0.00000  1.0 1.0
   51    53    56    59   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    56   7.00000 -1.0 2.0
   53    54    60    61   7.00000 -1.0 2.0
   53    54    60    62   7.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.28850  1.0 1.0
   54    60    62    63   2.61350 -1.0 2.0
   54    60    62    63   0.78400  1.0 3.0
   54    60    62    76  -0.18600  1.0 3.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   60    62    63    64   7.00000 -1.0 2.0
   60    62    63    66   7.00000 -1.0 2.0
   60    62    76    73   0.98200  1.0 1.0
   60    62    76    73  -0.11900 -1.0 2.0
   60    62    76    73   0.24250  1.0 3.0
   60    62    76    77   0.98200  1.0 1.0
   60    62    76    77  -0.11900 -1.0 2.0
   60    62    76    77   0.24250  1.0 3.0
   60    62    76    81   0.98200  1.0 1.0
   60    62    76    81  -0.11900 -1.0 2.0
   60    62    76    81   0.24250  1.0 3.0
   61    60    62    63  -0.18600  1.0 3.0
   61    60    62    76   0.00000  1.0 1.0
   62    63    64    65   1.00000 -1.0 2.0
   62    63    64    70  -0.33500  1.0 1.0
   62    63    64    70   1.06600 -1.0 2.0
   62    63    64    70  -0.14000  1.0 3.0
   62    63    66    67   0.00000  1.0 1.0
   62    63    66    68   0.00000  1.0 1.0
   62    63    66    69   0.00000  1.0 1.0
   62    76    77    78   0.15000  1.0 3.0
   62    76    77    79   0.15000  1.0 3.0
   62    76    77    80   0.15000  1.0 3.0
   62    76    81    82   0.15000  1.0 3.0
   62    76    81    83   0.15000  1.0 3.0
   62    76    81    84   0.15000  1.0 3.0
   63    62    76    73   0.09850  1.0 1.0
   63    62    76    73   0.15250 -1.0 2.0
   63    62    76    73  -0.50650  1.0 3.0
   63    62    76    77   0.09850  1.0 1.0
   63    62    76    77   0.15250 -1.0 2.0
   63    62    76    77  -0.50650  1.0 3.0
   63    62    76    81   0.09850  1.0 1.0
   63    62    76    81   0.15250 -1.0 2.0
   63    62    76    81  -0.50650  1.0 3.0
   63    64    70    71   0.00000  1.0 1.0
   63    64    70    72   0.00000  1.0 1.0
   63    64   -70    73   0.65300  1.0 1.0
   63    64   -70    73  -0.03850 -1.0 2.0
   63    64   -70    73   0.33900  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    70    73    74  -0.11250  1.0 3.0
   64    70    73    75  -0.11250  1.0 3.0
   64    70    73    76  -0.95700  1.0 1.0
   64    70    73    76  -0.18200 -1.0 2.0
   64    70    73    76   0.29450  1.0 3.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    72   0.00000  1.0 1.0
   65    64    70    73   0.30150 -1.0 2.0
   70    73   -76    62   0.34400  1.0 1.0
   70    73   -76    62   0.09450 -1.0 2.0
   70    73   -76    62   0.11100  1.0 3.0
   70    73    76    77   0.56750  1.0 1.0
   70    73    76    77  -0.07550 -1.0 2.0
   70    73    76    77   0.20000  1.0 3.0
   70    73    76    81   0.56750  1.0 1.0
   70    73    76    81  -0.07550 -1.0 2.0
   70    73    76    81   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76    77    80   0.15000  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76    81    83   0.15000  1.0 3.0
   73    76    81    84   0.15000  1.0 3.0
   74    73    76    62   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   75    73    76    62   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    81   0.15000  1.0 3.0
   76    62   -63    64   7.00000 -1.0 2.0
   76    62    63    66   7.00000 -1.0 2.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.15000  1.0 3.0
   81    76    77    78   0.15000  1.0 3.0
   81    76    77    79   0.15000  1.0 3.0
   81    76    77    80   0.15000  1.0 3.0
   66    63    64    65  -0.64400  1.0 1.0
   66    63    64    65   0.26850 -1.0 2.0
   66    63    64    70   0.25700  1.0 1.0
   66    63    64    70   0.66200 -1.0 2.0
   66    63    64    70   0.04450  1.0 3.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    60  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -1.63150  1.0 1.0
   39    33    43    48  -0.43550 -1.0 2.0
   39    33    43    48   0.24500  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   46    52    51    53  15.00000 -1.0 2.0
   54    56    53    51  15.00000 -1.0 2.0
   53    55    54    60  15.00000 -1.0 2.0
   62    61    60    54  15.00000 -1.0 2.0
   60    76    62    63   1.10000 -1.0 2.0
   64    66    63    62   1.10000 -1.0 2.0
   63    70    64    65  10.50000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
END
