* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    223     431
    1     0 S   NP   _N1_     1    28.62899    95.13642   -21.56418
    2     1 S   H    _HN1     2     1.02960    87.10649    37.66724
    3     1 S   H    _H1_     3     1.02839    32.92556   165.85359
    4     1 S   H    _H2_     4     1.02780    90.47703   -70.64513
    5     1 S   CT   _CA1     5     1.50103   143.53639   158.97301
    6     5 S   HC   _HA1     6     1.09574   105.26117    63.17226
    7     5 S   CO3  _C1_     7     1.53806   112.34519   -57.10084
    8     7 S   O2Z  _O11     8     1.26358   115.01341   -45.28593
    9     7 S   O2Z  _O12     9     1.26236   114.91392   133.93355
   10     5 S   CT   _CB1    10     1.53097   107.44357  -178.90104
   11    10 S   HC   HB11    11     1.09822   109.41315   -50.76993
   12    10 S   HC   HB12    12     1.09823   110.39079    65.79981
   13    10 S   CT   _CG1    13     1.52998   112.63035  -171.87677
   14    13 S   HC   HG11    14     1.09608   110.38862   -62.02834
   15    13 S   HC   HG12    15     1.09640   110.06779    57.20220
   16    13 S   C    _CD1    16     1.51792   112.28764   177.60739
   17    16 S   O    _OE1    17     1.22716   123.27506    -5.11175
   18    16 S   N    _N2_    18     1.38596   111.58869   174.96398
   19    18 S   H    _HN2    19     1.01594   119.01186     1.64568
   20    18 S   CT1  _CA2    20     1.46229   123.45579  -177.68675
   21    20 S   HC   _HA2    21     1.09735   109.39701   -12.77519
   22    20 S   C    _C2_    22     1.53415   108.45422  -128.50428
   23    22 S   O    _O2_    23     1.23011   122.22899  -146.67249
   24    20 S   CT   _CB2    32     1.53607   111.17675   109.29267
   25    24 S   HC   HB21    33     1.09232   109.08745    55.27970
   26    24 S   HC   HB22    34     1.09479   110.00262   173.85369
   27    22 S   N    _N3_    24     1.38501   113.37671    40.80756
   28    27 S   H    _HN3    25     1.01524   118.90645    -0.66998
   29    24 S   S    _SG2    35     1.83125   111.12438   -67.05502
   30    27 S   CT   _CA3    26     1.45457   123.48584   175.00641
   31    30 S   HC   HA31    27     1.09521   109.26261    23.57606
   32    30 S   HC   HA32    28     1.09495   107.10197   140.60077
   33    29 S   CT   _C16    36     1.89776   103.74533   161.70913
   34    30 S   CO3  _C3_    29     1.52936   113.15895   -99.91324
   35    34 S   O2Z  _O31    30     1.26401   115.44426   -42.84990
   36    34 S   O2Z  _O32    31     1.26361   114.95784   138.10117
   37    33 S   CO4  _C7_    37     1.55092   106.69416    34.82239
   38    37 S   O    _O20    38     1.23199   122.54081   -95.27643
   39    33 S   CT   _C17    53     1.60165   112.03341   -90.21899
   40    37 S   CM   _C5_    39     1.49835   119.45574    81.16006
   41    39 S   CM   _C10    54     1.54114   110.68673   172.12256
   42    41 S   HC   _H28    55     1.08847   116.36386   -45.24653
   43    39 S   CT   _C19    59     1.55021   114.33893    53.81380
   44    43 S   HC   _H38    60     1.09408   112.26156   -63.02518
   45    43 S   HC   _H39    61     1.09821   110.73725   178.75118
   46    43 S   HC   _H40    62     1.09309   112.94476    59.67560
   47    40 S   CM   _C4_    40     1.34007   121.61521     1.57930
   48    41 S   CM   _C8_    56     1.33992   128.65608   137.88605
   49    48 S   HC   _H24    57     1.08557   119.98566   178.54344
   50    48 S   HC   _H25    58     1.08267   123.07408    -0.33043
   51    40 S   OS   _O22    76     1.38593   117.20490  -171.40426
   52    47 S   CO4  _C6_    41     1.48736   120.21991     9.83779
   53    52 S   O    _O19    42     1.22884   119.53074  -167.88399
   54    47 S   OS   _O21    71     1.38293   121.87563  -175.35978
   55    51 S   CT   _C21    77     1.42640   110.39511   -86.96925
   56    55 S   HC   _H44    78     1.09392   107.91623  -179.53228
   57    55 S   HC   _H45    79     1.09498   111.42576    61.91031
   58    55 S   HC   _H46    80     1.09552   110.92214   -61.25074
   59    33 S   CT   _C14    43     1.56909   107.86064   149.79484
   60    59 S   HC   _H33    44     1.09941   107.57105  -173.43553
   61    54 S   CT   _C20    72     1.42675   110.44767    94.71150
   62    61 S   HC   _H41    73     1.09393   107.90428   179.87805
   63    61 S   HC   _H42    74     1.09499   111.37756    61.35569
   64    61 S   HC   _H43    75     1.09549   111.01776   -61.81662
   65    59 S   CT   _C15    45     1.55847   114.33949    66.68547
   66    65 S   HC   _H34    46     1.09863   107.10863   -66.72291
   67    65 S   CT   _C12    47     1.53392   111.69636    51.09238
   68    67 S   HC   _H29    48     1.09806   109.71233  -169.34562
   69    67 S   HC   _H30    49     1.09590   109.81006    75.13486
   70    65 S   CM   _C11    63     1.53327   115.75755   174.73006
   71    67 S   CT   _C13    50     1.52455   113.48398   -48.20515
   72    71 S   HC   _H31    51     1.09804   108.66836   177.25476
   73    71 S   HC   _H32    52     1.09776   108.14405   -69.87117
   74    70 S   CM   _C9_    64     1.34372   124.26812   -37.60427
   75    74 S   HC   _H26    65     1.08547   121.18329   179.88636
   76    74 S   HC   _H27    66     1.08343   122.28289    -0.91386
   77    70 S   CT   _C18    67     1.50607   115.47400   142.51702
   78    77 S   HC   _H35    68     1.09490   110.24363   -60.89095
   79    77 S   HC   _H36    69     1.09456   110.45461    59.08919
   80    77 S   HC   _H37    70     1.09518   112.24927   179.17008
  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
  24   2   1   1  14   5  20  11  13   5   9   3   2   1  12   3
   1   1   6   9   4   5   3   2   1   1  10   4   3   2   1   1
  15   7   8   5   4   8   2   1   1   6   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    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    52    59    60    65    71    39    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    47    52    53    59    60    65    66    67    71    72    73    39    41    42    48    43    44    45    46    70    51  
   35    36  
   36  
    0  
   38    40    47    52    59    60    65    71    39    41    43    54    51    55  
   40    47    59    39    51  
   41    42    48    49    50    43    44    45    46    40    52    59    60    65    67    68    69    71    72    73  
   47    52    53    59    54    61    51    55    56    57    58  
   42    48    49    50    43    44    45    46    59    67    71    72    73  
   48    49    50    43    71  
   44    45    46    48    59    67    71    72    73  
   45    46    71  
   46    71  
   71  
   52    53    59    60    65    54    61    62    63    64    51    55  
   49    50    71  
   50  
    0  
   55    56    57    58    52    54  
   53    59    60    65    66    67    70    54    61  
   59    60    65    54  
   61    62    63    64    59  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    69    71    70    74    77  
   65    66    67    70  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    71    72    73    70    74    75    76    77    78    79    80  
   67    68    69    71    70    74    77  
   68    69    71    72    73    70    74    77  
   69    71    72    73    70  
   71    72    73    70  
   74    75    76    77    78    79    80    71  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
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  1.522
   33    59   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    47   549.000  1.340
   40    51   440.000  1.360
   47    52   320.000  1.462
   47    54   440.000  1.360
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    41   317.000  1.510
   39    43   268.000  1.529
   41    42   340.000  1.080
   41    48   549.000  1.340
   48    49   340.000  1.080
   48    50   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   70    74   549.000  1.340
   70    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   54    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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  110.18000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    59    52    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    65    58.35000  112.70000
   33    39    71    58.35000  112.70000
   33    39    41    70.00000  112.02700
   33    39    43    58.35000  112.70000
   37    40    47    65.00000  118.96000
   37    40    51    85.00000  116.28000
   40    37    38    80.00000  123.72100
   40    47    52    65.00000  118.96000
   40    47    54    80.00000  120.01400
   40    51    55    90.00000  111.18400
   47    52    53    80.00000  123.72100
   47    52    59    65.00000  118.62400
   47    54    61    90.00000  111.18400
   52    59    60    35.00000  109.50000
   52    59    65    63.00000  111.10000
   59    33    37    63.00000  111.10000
   59    52    53    80.00000  120.40000
   59    65    66    37.50000  110.70000
   59    65    67    58.35000  112.70000
   59    65    70    70.00000  112.02700
   65    59    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    70    74    70.00000  124.00000
   65    70    77    65.00000  117.92700
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    39    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    39    41    70.00000  112.02700
   71    39    43    58.35000  112.70000
   73    71    72    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    59    58.35000  112.70000
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   39    41    42    35.00000  117.00000
   39    41    48    70.00000  124.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    48    49    35.00000  120.00000
   41    48    50    35.00000  120.00000
   48    41    42    35.00000  120.00000
   50    48    49    35.00000  117.00000
   43    39    41    70.00000  112.02700
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    70.00000  112.02700
   70    74    75    35.00000  120.00000
   70    74    76    35.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    70    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   54    47    52    85.00000  116.28000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    40    47    80.00000  120.01400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    59    52   0.56750  1.0 1.0
   29    33    59    52  -0.07550 -1.0 2.0
   29    33    59    52   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    65   0.44750  1.0 1.0
   29    33    59    65  -0.17800 -1.0 2.0
   29    33    59    65   0.20200  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    37    40    47  -0.33500  1.0 1.0
   33    37    40    47   1.06600 -1.0 2.0
   33    37    40    47  -0.14000  1.0 3.0
   33    37    40    51   0.32450 -1.0 2.0
   33    37    40    51   0.17400  1.0 3.0
   33    59    65    66   0.15000  1.0 3.0
   33    59    65    67   0.56750  1.0 1.0
   33    59    65    67  -0.07550 -1.0 2.0
   33    59    65    67   0.20000  1.0 3.0
   33    59    65    70   0.34400  1.0 1.0
   33    59    65    70   0.09450 -1.0 2.0
   33    59    65    70   0.11100  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    48   0.09850  1.0 1.0
   33    39    41    48   0.15250 -1.0 2.0
   33    39    41    48  -0.50650  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   37    33    59    52   0.11950  1.0 1.0
   37    33    59    52   0.20300 -1.0 2.0
   37    33    59    52  -0.70800  1.0 3.0
   37    33    59    60  -0.11250  1.0 3.0
   37    33    59    65  -0.95700  1.0 1.0
   37    33    59    65  -0.18200 -1.0 2.0
   37    33    59    65   0.29450  1.0 3.0
   37    33    39    71  -0.95700  1.0 1.0
   37    33    39    71  -0.18200 -1.0 2.0
   37    33    39    71   0.29450  1.0 3.0
   37    33    39    41  -0.98800  1.0 1.0
   37    33    39    41   0.48800 -1.0 2.0
   37    33    39    41   0.76800  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    40   -47    52   7.00000 -1.0 2.0
   37    40    47    54   7.00000 -1.0 2.0
   37    40    51    55   0.15100 -1.0 2.0
   38    37    40    47   1.00000 -1.0 2.0
   38    37    40    51  -0.11900  1.0 1.0
   38    37    40    51   0.76850 -1.0 2.0
   38    37    40    51   0.14100  1.0 3.0
   40    47    52    53   1.00000 -1.0 2.0
   40    47    52    59  -0.33500  1.0 1.0
   40    47    52    59   1.06600 -1.0 2.0
   40    47    52    59  -0.14000  1.0 3.0
   40    47    54    61  -2.26850  1.0 1.0
   40    47    54    61   3.39050 -1.0 2.0
   40    51    55    56   0.08050  1.0 3.0
   40    51    55    57   0.08050  1.0 3.0
   40    51    55    58   0.08050  1.0 3.0
   47    40    51    55  -2.26850  1.0 1.0
   47    40    51    55   3.39050 -1.0 2.0
   47    52   -59    33   0.65300  1.0 1.0
   47    52   -59    33  -0.03850 -1.0 2.0
   47    52   -59    33   0.33900  1.0 3.0
   47    52    59    60   0.00000  1.0 1.0
   47    52    59    65   0.65300  1.0 1.0
   47    52    59    65  -0.03850 -1.0 2.0
   47    52    59    65   0.33900  1.0 3.0
   47    54    61    62   0.08050  1.0 3.0
   47    54    61    63   0.08050  1.0 3.0
   47    54    61    64   0.08050  1.0 3.0
   52    47    54    61   0.15100 -1.0 2.0
   52    59    65    66  -0.11250  1.0 3.0
   52    59    65    67  -0.95700  1.0 1.0
   52    59    65    67  -0.18200 -1.0 2.0
   52    59    65    67   0.29450  1.0 3.0
   52    59    65    70  -0.98800  1.0 1.0
   52    59    65    70   0.48800 -1.0 2.0
   52    59    65    70   0.76800  1.0 3.0
   53    52    59    33   0.30150 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.30150 -1.0 2.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    40   0.65300  1.0 1.0
   59    33   -37    40  -0.03850 -1.0 2.0
   59    33   -37    40   0.33900  1.0 3.0
   59    33    39    71   0.56750  1.0 1.0
   59    33    39    71  -0.07550 -1.0 2.0
   59    33    39    71   0.20000  1.0 3.0
   59    33    39    41   0.34400  1.0 1.0
   59    33    39    41   0.09450 -1.0 2.0
   59    33    39    41   0.11100  1.0 3.0
   59    33    39    43   0.56750  1.0 1.0
   59    33    39    43  -0.07550 -1.0 2.0
   59    33    39    43   0.20000  1.0 3.0
   59    65    67    68   0.15000  1.0 3.0
   59    65    67    69   0.15000  1.0 3.0
   59    65   -67    71   0.56750  1.0 1.0
   59    65   -67    71  -0.07550 -1.0 2.0
   59    65   -67    71   0.20000  1.0 3.0
   59    65    70    74   0.09850  1.0 1.0
   59    65    70    74   0.15250 -1.0 2.0
   59    65    70    74  -0.50650  1.0 3.0
   59    65    70    77   0.46850  1.0 1.0
   59    65    70    77   0.08550 -1.0 2.0
   59    65    70    77   0.09800  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67    71    73   0.15000  1.0 3.0
   65    67    71    39   0.56750  1.0 1.0
   65    67    71    39  -0.07550 -1.0 2.0
   65    67    71    39   0.20000  1.0 3.0
   65    70    74    75   7.00000 -1.0 2.0
   65    70    74    76   7.00000 -1.0 2.0
   65    70    77    78   0.34800  1.0 3.0
   65    70    77    79   0.34800  1.0 3.0
   65    70    77    80   0.34800  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    70    74   0.00000  1.0 1.0
   66    65    70    77   0.34800  1.0 3.0
   67    65    70    74   0.09850  1.0 1.0
   67    65    70    74   0.15250 -1.0 2.0
   67    65    70    74  -0.50650  1.0 3.0
   67    65    70    77   0.46850  1.0 1.0
   67    65    70    77   0.08550 -1.0 2.0
   67    65    70    77   0.09800  1.0 3.0
   67    71   -39    33   0.56750  1.0 1.0
   67    71   -39    33  -0.07550 -1.0 2.0
   67    71   -39    33   0.20000  1.0 3.0
   67    71    39    41   0.34400  1.0 1.0
   67    71    39    41   0.09450 -1.0 2.0
   67    71    39    41   0.11100  1.0 3.0
   67    71    39    43   0.56750  1.0 1.0
   67    71    39    43  -0.07550 -1.0 2.0
   67    71    39    43   0.20000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    39   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    39   0.15000  1.0 3.0
   71    39    41    42   0.00000  1.0 1.0
   71    39    41    48   0.09850  1.0 1.0
   71    39    41    48   0.15250 -1.0 2.0
   71    39    41    48  -0.50650  1.0 3.0
   71    39    43    44   0.15000  1.0 3.0
   71    39    43    45   0.15000  1.0 3.0
   71    39    43    46   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   72    71    39    43   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   73    71    39    43   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    59    52  -0.95700  1.0 1.0
   39    33    59    52  -0.18200 -1.0 2.0
   39    33    59    52   0.29450  1.0 3.0
   39    33    59    60   0.15000  1.0 3.0
   39    33   -59    65   0.56750  1.0 1.0
   39    33   -59    65  -0.07550 -1.0 2.0
   39    33   -59    65   0.20000  1.0 3.0
   39    41    48    49   7.00000 -1.0 2.0
   39    41    48    50   7.00000 -1.0 2.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    46   0.15000  1.0 3.0
   42    41    48    49   7.00000 -1.0 2.0
   42    41    48    50   7.00000 -1.0 2.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    48   0.09850  1.0 1.0
   43    39    41    48   0.15250 -1.0 2.0
   43    39    41    48  -0.50650  1.0 3.0
   70    65    67    68   0.15000  1.0 3.0
   70    65    67    69   0.15000  1.0 3.0
   70    65    67    71   0.34400  1.0 1.0
   70    65    67    71   0.09450 -1.0 2.0
   70    65    67    71   0.11100  1.0 3.0
   74    70    77    78   0.00000  1.0 1.0
   74    70    77    79   0.00000  1.0 1.0
   74    70    77    80   0.00000  1.0 1.0
   77    70    74    75   7.00000 -1.0 2.0
   77    70    74    76   7.00000 -1.0 2.0
   54    47    52    53  -0.11900  1.0 1.0
   54    47    52    53   0.76850 -1.0 2.0
   54    47    52    53   0.14100  1.0 3.0
   54    47    52    59   0.32450 -1.0 2.0
   54    47    52    59   0.17400  1.0 3.0
   51    40    47    52   7.00000 -1.0 2.0
   51    40    47    54   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    51    40    47   1.10000 -1.0 2.0
   52    54    47    40   1.10000 -1.0 2.0
   47    59    52    53  10.50000 -1.0 2.0
   39    42    41    48  15.00000 -1.0 2.0
   49    50    48    41  15.00000 -1.0 2.0
   65    77    70    74  15.00000 -1.0 2.0
   75    76    74    70  15.00000 -1.0 2.0
END
