* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    166    270     498
    1     0 S   NP   _N1_     1    28.74592    93.91921   -21.58715
    2     1 S   H    _HN1     2     1.02777    93.51301   -79.16299
    3     1 S   H    _H1_     3     1.02959    92.97496    29.41750
    4     1 S   H    _H2_     4     1.02835    25.33356   154.68416
    5     1 S   CT   _CA1     5     1.50140   136.06959   153.25030
    6     5 S   HC   _HA1     6     1.09579   105.21040    59.88777
    7     5 S   CO3  _C1_     7     1.53794   112.24661   -60.24963
    8     7 S   O2Z  _O11     8     1.26366   114.98713   -46.13204
    9     7 S   O2Z  _O12     9     1.26236   114.88419   132.75206
   10     5 S   CT   _CB1    10     1.53072   107.39427   177.70032
   11    10 S   HC   HB11    11     1.09826   109.30320   -50.78090
   12    10 S   HC   HB12    12     1.09820   110.45202    65.76232
   13    10 S   CT   _CG1    13     1.53007   112.67922  -171.88226
   14    13 S   HC   HG11    14     1.09569   110.39320   -63.67730
   15    13 S   HC   HG12    15     1.09648   110.03279    55.51643
   16    13 S   C    _CD1    16     1.51831   112.22490   175.75098
   17    16 S   O    _OE1    17     1.22740   123.22508    -3.89124
   18    16 S   N    _N2_    18     1.38622   111.72571   176.45773
   19    18 S   H    _HN2    19     1.01599   118.98968     0.46352
   20    18 S   CT1  _CA2    20     1.46280   123.35251  -179.46845
   21    20 S   HC   _HA2    21     1.09736   109.38318   -10.63741
   22    20 S   C    _C2_    22     1.53438   108.49722  -126.32947
   23    22 S   O    _O2_    23     1.23023   122.16269  -146.85204
   24    20 S   CT   _CB2    32     1.53540   111.35279   111.41795
   25    24 S   HC   HB21    33     1.09256   109.13782    57.27752
   26    24 S   HC   HB22    34     1.09492   110.16864   175.45981
   27    22 S   N    _N3_    24     1.38481   113.42588    40.54831
   28    27 S   H    _HN3    25     1.01528   118.89230    -0.90763
   29    24 S   S    _SG2    35     1.82978   111.10238   -65.52861
   30    27 S   CT   _CA3    26     1.45460   123.59915   175.18037
   31    30 S   HC   HA31    27     1.09513   109.41736    20.62852
   32    30 S   HC   HA32    28     1.09502   107.07511   137.65543
   33    29 S   CT   _C16    36     1.90001   103.11413   156.10241
   34    30 S   CO3  _C3_    29     1.52914   112.99940  -102.97835
   35    34 S   O2Z  _O31    30     1.26412   115.36411   -45.40173
   36    34 S   O2Z  _O32    31     1.26349   115.01068   135.50687
   37    33 S   CT   _C21    37     1.54237   106.73489   -69.22499
   38    37 S   HC   _H25    38     1.09500   111.75135   175.13546
   39    37 S   HC   _H26    39     1.09415   112.18426    57.34777
   40    33 S   CT   _C15    72     1.54359   109.36601    50.92108
   41    40 S   HC   _H19    73     1.09602   111.38417   -59.73358
   42    40 S   HC   _H20    74     1.09695   109.83473  -174.73110
   43    37 S   CO4  _C20    40     1.51534   111.38705   -64.31349
   44    43 S   O    _O33    41     1.23122   121.05164   136.06928
   45    43 S   CT   _C19    42     1.51146   117.44361   -49.43518
   46    45 S   HC   _H23    43     1.09587   108.62064   165.15023
   47    45 S   HC   _H24    44     1.09504   107.74649   -78.93627
   48    45 S   CT   _C18    45     1.53000   113.02341    43.92349
   49    48 S   HC   _H21    46     1.09630   109.02264    77.55825
   50    48 S   HC   _H22    47     1.09649   107.30072  -168.86064
   51    33 S   CT   _C17    48     1.59497   110.41685   171.24485
   52    51 S   CT   _C9_    49     1.58164   109.22930   -62.33404
   53    52 S   HC   _H3_    50     1.09808   107.82109    62.67543
   54    51 S   CT   _C22    79     1.56180   111.81522   176.93650
   55    54 S   HC   _H27    80     1.09222   112.99746    64.98094
   56    54 S   HC   _H28    81     1.09279   112.86290   -56.05039
   57    54 S   HC   _H29    82     1.09545   111.12821  -174.59749
   58    52 S   CT   _C8_    51     1.55068   114.45146   179.68973
   59    58 S   HC   _H11    52     1.09638   110.39373    64.44351
   60    58 S   HC   _H12    53     1.09437   110.67733   -54.07337
   61    52 S   CT   _C10    67     1.56013   112.11516   -55.44036
   62    61 S   HC   _H4_    68     1.09855   107.74332   -67.77592
   63    58 S   CT   _C7_    54     1.53185   112.07330  -174.41637
   64    63 S   HC   _H9_    55     1.09438   108.92610  -175.96658
   65    63 S   HC   _H10    56     1.09689   109.19390    67.53185
   66    61 S   CT   _C14    69     1.53732   113.01971    50.60204
   67    66 S   HC   _H17    70     1.09704   109.53844  -169.29715
   68    66 S   HC   _H18    71     1.09623   109.76818    75.14094
   69    63 S   CM   _C6_    57     1.49120   111.07738   -52.35916
   70    69 S   CM   _C5_    58     1.34101   129.79620  -135.35730
   71    70 S   CT   _C13    59     1.49877   111.27469  -177.80599
   72    71 S   HC   _H15    60     1.09527   110.37594   104.82166
   73    71 S   HC   _H16    61     1.09441   112.20255  -133.46035
   74    70 S   CT   _C4_    75     1.48792   129.01842    -0.19281
   75    74 S   HC   _H6_    76     1.09458   110.18409   119.53319
   76    74 S   HC   _H7_    77     1.09302   112.61831    -0.83556
   77    74 S   HC   _H8_    78     1.09473   110.19477  -120.94876
   78    71 S   CT   _C12    62     1.52733   103.15563   -14.26032
   79    78 S   HC   _H13    63     1.09538   111.59317   143.81884
   80    78 S   HC   _H14    64     1.09787   109.22132   -98.10035
   81    69 S   CT   _C11    65     1.50318   118.24712    46.40897
   82    81 S   HC   _H5_    66     1.09843   108.33819    75.65624
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  11   6   5  13   7   9   4
   3   6   2   1  13  12  11   6   5   5   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    66    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    61    66    67    68    40    41    42    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    66    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    54    43    48    51    52    61    62    66    67    68    81  
   42    51    61    66    67    68  
   51    61    66    67    68  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    61    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    63    81    61    62    66    54    55    56    57  
   53    58    59    60    63    64    65    69    78    81    82    61    62    66    67    68    54    55    56    57  
   58    59    60    63    81    61    62    66    54  
   55    56    57    58    61  
   56    57  
   57  
    0  
   59    60    63    64    65    69    70    81    61    62    66  
   60    63    64    65    69    61  
   63    64    65    69    61  
   62    66    67    68    63    69    70    71    78    79    80    81    82  
   66    67    68    69    78    81    82  
   64    65    69    70    71    78    81    82    74  
   65    69    70    81  
   69    70    81  
   67    68    69    78    81    82  
   68    81  
   81  
   70    71    72    73    78    79    80    81    82    74    75    76    77  
   71    72    73    78    79    80    81    82    74    75    76    77  
   72    73    78    79    80    81    82    74    75    76    77  
   73    78    79    80    81    74  
   78    79    80    81    74  
   75    76    77    78    81  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.510
   69    70   549.000  1.340
   69    81   317.000  1.510
   70    71   317.000  1.510
   70    74   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    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    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    66    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    61    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    63    58.35000  112.70000
   52    61    81    58.35000  112.70000
   52    61    62    37.50000  110.70000
   52    61    66    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    69    70.00000  112.02700
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    69    70    70.00000  124.00000
   63    69    81    65.00000  117.92700
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    70    71    70.00000  124.00000
   69    70    74    70.00000  124.00000
   69    81    78    70.00000  112.02700
   69    81    82    35.00000  109.50000
   69    81    61    70.00000  112.02700
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    78    70.00000  112.02700
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    58.35000  112.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    61    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    69    70    70.00000  124.00000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    61    62    37.50000  110.70000
   81    61    66    58.35000  112.70000
   61    52    53    37.50000  110.70000
   61    52    58    58.35000  112.70000
   61    81    82    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    40    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    40    41    37.50000  110.70000
   66    40    42    37.50000  110.70000
   68    66    67    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    66    68    37.50000  110.70000
   42    40    41    33.00000  107.80000
   74    70    71    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.44750  1.0 1.0
   29    33    51    52  -0.17800 -1.0 2.0
   29    33    51    52   0.20200  1.0 3.0
   29    33    51    54   0.44750  1.0 1.0
   29    33    51    54  -0.17800 -1.0 2.0
   29    33    51    54   0.20200  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    51    52    53   0.15000  1.0 3.0
   33    51    52    58   0.56750  1.0 1.0
   33    51    52    58  -0.07550 -1.0 2.0
   33    51    52    58   0.20000  1.0 3.0
   33    51    52    61   0.56750  1.0 1.0
   33    51    52    61  -0.07550 -1.0 2.0
   33    51    52    61   0.20000  1.0 3.0
   33    51    54    55   0.15000  1.0 3.0
   33    51    54    56   0.15000  1.0 3.0
   33    51    54    57   0.15000  1.0 3.0
   37    33    51    48   0.56750  1.0 1.0
   37    33    51    48  -0.07550 -1.0 2.0
   37    33    51    48   0.20000  1.0 3.0
   37    33    51    52   0.56750  1.0 1.0
   37    33    51    52  -0.07550 -1.0 2.0
   37    33    51    52   0.20000  1.0 3.0
   37    33    51    54   0.56750  1.0 1.0
   37    33    51    54  -0.07550 -1.0 2.0
   37    33    51    54   0.20000  1.0 3.0
   37    33    40    66   0.56750  1.0 1.0
   37    33    40    66  -0.07550 -1.0 2.0
   37    33    40    66   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    47   0.00000  1.0 1.0
   37    43   -45    48   0.60050  1.0 1.0
   37    43   -45    48   0.05600 -1.0 2.0
   37    43   -45    48   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    48    49  -0.11250  1.0 3.0
   43    45    48    50  -0.11250  1.0 3.0
   43    45    48    51  -0.95700  1.0 1.0
   43    45    48    51  -0.18200 -1.0 2.0
   43    45    48    51   0.29450  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.30150 -1.0 2.0
   45    48   -51    33   0.56750  1.0 1.0
   45    48   -51    33  -0.07550 -1.0 2.0
   45    48   -51    33   0.20000  1.0 3.0
   45    48    51    52   0.56750  1.0 1.0
   45    48    51    52  -0.07550 -1.0 2.0
   45    48    51    52   0.20000  1.0 3.0
   45    48    51    54   0.56750  1.0 1.0
   45    48    51    54  -0.07550 -1.0 2.0
   45    48    51    54   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    52    53   0.15000  1.0 3.0
   48    51    52    58   0.56750  1.0 1.0
   48    51    52    58  -0.07550 -1.0 2.0
   48    51    52    58   0.20000  1.0 3.0
   48    51    52    61   0.56750  1.0 1.0
   48    51    52    61  -0.07550 -1.0 2.0
   48    51    52    61   0.20000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51    54    57   0.15000  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    33   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    43  -0.95700  1.0 1.0
   51    33   -37    43  -0.18200 -1.0 2.0
   51    33   -37    43   0.29450  1.0 3.0
   51    33    40    66   0.56750  1.0 1.0
   51    33    40    66  -0.07550 -1.0 2.0
   51    33    40    66   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    58    63   0.56750  1.0 1.0
   51    52    58    63  -0.07550 -1.0 2.0
   51    52    58    63   0.20000  1.0 3.0
   51    52    61    81   0.56750  1.0 1.0
   51    52    61    81  -0.07550 -1.0 2.0
   51    52    61    81   0.20000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52   -61    66   0.56750  1.0 1.0
   51    52   -61    66  -0.07550 -1.0 2.0
   51    52   -61    66   0.20000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58    63    64   0.15000  1.0 3.0
   52    58    63    65   0.15000  1.0 3.0
   52    58    63    69   0.34400  1.0 1.0
   52    58    63    69   0.09450 -1.0 2.0
   52    58    63    69   0.11100  1.0 3.0
   52    61    66    67   0.15000  1.0 3.0
   52    61    66    68   0.15000  1.0 3.0
   52    61    66    40   0.56750  1.0 1.0
   52    61    66    40  -0.07550 -1.0 2.0
   52    61    66    40   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    63   0.15000  1.0 3.0
   53    52    61    81   0.15000  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    66   0.15000  1.0 3.0
   58    52    61    81   0.56750  1.0 1.0
   58    52    61    81  -0.07550 -1.0 2.0
   58    52    61    81   0.20000  1.0 3.0
   58    52    61    62   0.15000  1.0 3.0
   58    52    61    66   0.56750  1.0 1.0
   58    52    61    66  -0.07550 -1.0 2.0
   58    52    61    66   0.20000  1.0 3.0
   58    63    69    70   0.09850  1.0 1.0
   58    63    69    70   0.15250 -1.0 2.0
   58    63    69    70  -0.50650  1.0 3.0
   58    63   -69    81   0.46850  1.0 1.0
   58    63   -69    81   0.08550 -1.0 2.0
   58    63   -69    81   0.09800  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    69   0.15000  1.0 3.0
   63    69    70    71   7.00000 -1.0 2.0
   63    69    70    74   7.00000 -1.0 2.0
   63    69    81    78   0.46850  1.0 1.0
   63    69    81    78   0.08550 -1.0 2.0
   63    69    81    78   0.09800  1.0 3.0
   63    69    81    82   0.34800  1.0 3.0
   63    69    81    61   0.46850  1.0 1.0
   63    69    81    61   0.08550 -1.0 2.0
   63    69    81    61   0.09800  1.0 3.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    81   0.34800  1.0 3.0
   65    63    69    70   0.00000  1.0 1.0
   65    63    69    81   0.34800  1.0 3.0
   69    70    71    72   0.00000  1.0 1.0
   69    70    71    73   0.00000  1.0 1.0
   69    70   -71    78   0.09850  1.0 1.0
   69    70   -71    78   0.15250 -1.0 2.0
   69    70   -71    78  -0.50650  1.0 3.0
   69    70    74    75   0.00000  1.0 1.0
   69    70    74    76   0.00000  1.0 1.0
   69    70    74    77   0.00000  1.0 1.0
   69    81   -61    52   0.34400  1.0 1.0
   69    81   -61    52   0.09450 -1.0 2.0
   69    81   -61    52   0.11100  1.0 3.0
   69    81    61    62   0.15000  1.0 3.0
   69    81    61    66   0.34400  1.0 1.0
   69    81    61    66   0.09450 -1.0 2.0
   69    81    61    66   0.11100  1.0 3.0
   70    69   -81    78   0.09850  1.0 1.0
   70    69   -81    78   0.15250 -1.0 2.0
   70    69   -81    78  -0.50650  1.0 3.0
   70    69    81    82   0.00000  1.0 1.0
   70    69    81    61   0.09850  1.0 1.0
   70    69    81    61   0.15250 -1.0 2.0
   70    69    81    61  -0.50650  1.0 3.0
   70    71    78    79   0.15000  1.0 3.0
   70    71    78    80   0.15000  1.0 3.0
   70    71   -78    81   0.34400  1.0 1.0
   70    71   -78    81   0.09450 -1.0 2.0
   70    71   -78    81   0.11100  1.0 3.0
   71    70    74    75   0.34800  1.0 3.0
   71    70    74    76   0.34800  1.0 3.0
   71    70    74    77   0.34800  1.0 3.0
   71    78   -81    69   0.34400  1.0 1.0
   71    78   -81    69   0.09450 -1.0 2.0
   71    78   -81    69   0.11100  1.0 3.0
   71    78    81    82   0.15000  1.0 3.0
   71    78    81    61   0.56750  1.0 1.0
   71    78    81    61  -0.07550 -1.0 2.0
   71    78    81    61   0.20000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    81   0.15000  1.0 3.0
   78    81    61    52   0.56750  1.0 1.0
   78    81    61    52  -0.07550 -1.0 2.0
   78    81    61    52   0.20000  1.0 3.0
   78    81    61    62   0.15000  1.0 3.0
   78    81    61    66   0.56750  1.0 1.0
   78    81    61    66  -0.07550 -1.0 2.0
   78    81    61    66   0.20000  1.0 3.0
   79    78    81    69   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    61   0.15000  1.0 3.0
   80    78    81    69   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    61   0.15000  1.0 3.0
   81    69   -70    71   7.00000 -1.0 2.0
   81    69    70    74   7.00000 -1.0 2.0
   81    61    66    67   0.15000  1.0 3.0
   81    61    66    68   0.15000  1.0 3.0
   81    61    66    40   0.56750  1.0 1.0
   81    61    66    40  -0.07550 -1.0 2.0
   81    61    66    40   0.20000  1.0 3.0
   82    81    61    52   0.15000  1.0 3.0
   82    81    61    62   0.15000  1.0 3.0
   82    81    61    66   0.15000  1.0 3.0
   61    52    58    59   0.15000  1.0 3.0
   61    52    58    60   0.15000  1.0 3.0
   61    52   -58    63   0.56750  1.0 1.0
   61    52   -58    63  -0.07550 -1.0 2.0
   61    52   -58    63   0.20000  1.0 3.0
   61    66   -40    33   0.56750  1.0 1.0
   61    66   -40    33  -0.07550 -1.0 2.0
   61    66   -40    33   0.20000  1.0 3.0
   61    66    40    41   0.15000  1.0 3.0
   61    66    40    42   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    40   0.15000  1.0 3.0
   67    66    40    33   0.15000  1.0 3.0
   67    66    40    41   0.15000  1.0 3.0
   67    66    40    42   0.15000  1.0 3.0
   68    66    40    33   0.15000  1.0 3.0
   68    66    40    41   0.15000  1.0 3.0
   68    66    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   74    70    71    72   0.34800  1.0 3.0
   74    70    71    73   0.34800  1.0 3.0
   74    70    71    78   0.46850  1.0 1.0
   74    70    71    78   0.08550 -1.0 2.0
   74    70    71    78   0.09800  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    61   0.56750  1.0 1.0
   54    51    52    61  -0.07550 -1.0 2.0
   54    51    52    61   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   63    81    69    70   1.10000 -1.0 2.0
   71    74    70    69   1.10000 -1.0 2.0
END
