* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    155    238     452
    1     0 S   NP   _N1_     1    28.74452    95.49070   -24.64982
    2     1 S   H    _HN1     2     1.02787   112.55748   -90.82234
    3     1 S   H    _H1_     3     1.02949    75.82958    13.47224
    4     1 S   H    _H2_     4     1.02829    31.94044  -178.65972
    5     1 S   CT   _CA1     5     1.50109   129.51524   118.43218
    6     5 S   HC   _HA1     6     1.09573   105.19715    89.49445
    7     5 S   CO3  _C1_     7     1.53787   112.45299   -30.75010
    8     7 S   O2Z  _O11     8     1.26371   115.01271   -42.94180
    9     7 S   O2Z  _O12     9     1.26239   114.94403   136.19048
   10     5 S   CT   _CB1    10     1.53078   107.42250  -152.52363
   11    10 S   HC   HB11    11     1.09833   109.37699   -49.69564
   12    10 S   HC   HB12    12     1.09812   110.44928    66.91235
   13    10 S   CT   _CG1    13     1.52992   112.60448  -170.66723
   14    13 S   HC   HG11    14     1.09586   110.63944   -65.54596
   15    13 S   HC   HG12    15     1.09670   109.78682    53.68722
   16    13 S   C    _CD1    16     1.51800   112.21097   174.14904
   17    16 S   O    _OE1    17     1.22732   123.28200     7.00138
   18    16 S   N    _N2_    18     1.38619   111.66170  -173.07831
   19    18 S   H    _HN2    19     1.01590   118.97552     1.64556
   20    18 S   CT1  _CA2    20     1.46218   123.46762   177.96722
   21    20 S   HC   _HA2    21     1.09732   109.35460     4.09194
   22    20 S   C    _C2_    22     1.53575   108.92590  -111.50938
   23    22 S   O    _O2_    23     1.23074   122.23810  -149.67640
   24    20 S   CT   _CB2    32     1.53217   111.29800   126.07282
   25    24 S   HC   HB21    33     1.09541   109.82401    55.81713
   26    24 S   HC   HB22    34     1.09528   110.47485   174.79150
   27    22 S   N    _N3_    24     1.38315   113.79355    37.88916
   28    27 S   H    _HN3    25     1.01571   119.56101    -3.50911
   29    24 S   S    _SG2    35     1.82893   111.43234   -65.60161
   30    27 S   CT   _CA3    26     1.45281   123.24045   177.08402
   31    30 S   HC   HA31    27     1.09549   107.51871   -64.46020
   32    30 S   HC   HA32    28     1.09556   107.98246    51.98512
   33    29 S   CT   _C16    36     1.83798    99.19163   172.64238
   34    33 S   HC   _H3_    37     1.08929   101.49680    46.26680
   35    30 S   CO3  _C3_    29     1.52963   114.06095   173.97058
   36    35 S   O2Z  _O31    30     1.26378   116.06061    -0.74546
   37    35 S   O2Z  _O32    31     1.26425   114.41823   179.32074
   38    33 S   CM   _C9_    38     1.51135   110.02590   159.28512
   39    33 S   CM   _C10    61     1.54084   113.62971   -71.64388
   40    38 S   CM   _C6_    39     1.34218   128.33629    60.17880
   41    40 S   HC   _H27    40     1.08104   124.69142    -0.68557
   42    39 S   CT   _C20    62     1.52210   116.42525   -40.58077
   43    42 S   HC   _H37    63     1.09300   111.13703   -47.06376
   44    42 S   HC   _H38    64     1.09485   113.06211  -166.12219
   45    42 S   HC   _H39    65     1.09461   110.69862    73.93509
   46    40 S   CT   _C15    41     1.49817   113.07037   179.59266
   47    46 S   HC   _H32    42     1.09610   110.00294  -127.12741
   48    46 S   CT   _C14    43     1.53695   103.05912   -10.41658
   49    48 S   HC   _H30    44     1.09636   112.03746   140.59731
   50    48 S   HC   _H31    45     1.09854   109.37094  -101.59665
   51    46 S   CT   _C21    79     1.52327   111.86305   111.49951
   52    51 S   HC   _H40    80     1.09482   112.07867   -56.83558
   53    51 S   HC   _H41    81     1.09509   110.56323  -177.27645
   54    51 S   HC   _H42    82     1.09563   110.70659    63.31814
   55    38 S   CT   _C18    46     1.50720   121.42702  -119.16705
   56    55 S   CO4  _C12    47     1.50946   114.25448    67.54822
   57    56 S   O    _O22    48     1.22118   126.41189    62.44191
   58    56 S   CM   _C7_    49     1.46629   109.94165  -116.46615
   59    58 S   CM   _C11    50     1.33463   102.33798     0.07913
   60    58 S   CT   _C19    75     1.47606   124.01020   177.24778
   61    60 S   HC   _H34    76     1.09440   110.53557   -61.22170
   62    60 S   HC   _H35    77     1.09346   111.95861   178.19756
   63    60 S   HC   _H36    78     1.09463   110.33711    58.53000
   64    59 S   CT   _C13    51     1.50688   128.29691   174.19603
   65    64 S   HC   _H28    52     1.09819   109.33919    35.92864
   66    64 S   HC   _H29    53     1.09913   107.73469   149.14972
   67    55 S   OS   _O23    74     1.42864   112.07084   -48.96154
   68    64 S   CT   _C17    54     1.57069   115.79883   -88.08296
   69    68 S   CM   _C5_    55     1.52522   114.28272   -44.32689
   70    69 S   HC   _H26    56     1.08961   116.64405   134.85515
   71    68 S   CT   _C22    66     1.54057   108.72562  -166.31153
   72    71 S   HC   _H43    67     1.09609   111.04122   -58.33269
   73    71 S   HC   _H44    68     1.09651   111.51867  -178.36985
   74    71 S   HC   _H45    69     1.09626   111.41150    61.53293
   75    68 S   CT   _C23    70     1.54497   109.31306    76.32697
   76    75 S   HC   _H46    71     1.09583   111.26395    53.40431
   77    75 S   HC   _H47    72     1.09519   111.85651   -67.57371
   78    75 S   HC   _H48    73     1.09710   111.28096   172.84920
   79    69 S   CM   _C4_    57     1.34494   125.48267   -40.51595
   80    79 S   HC   _H25    58     1.08949   119.54673    -7.01554
   81    79 S   CMA  _C8_    59     1.46245   125.10979   169.63394
   82    81 S   OM   _O21    60     1.26293   108.17094   112.55270
  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   8   5   4   3
  17   6   2   1   1  17  11  13   5   6   3   2   1  11   8  12
   5   4   4   2   1   1   7   9   4  10  12   5   2   1   1  15
   6   5   1  13  13   5   8   3   2   1   4   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    55    81    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    48    55    56    79    81    82    39    42    43    44    45    67  
   38    40    55    81    39    42  
   36    37  
   37  
    0  
   40    41    46    47    48    49    50    55    56    57    58    59    81    39    42    67    51  
   42    43    44    45    40    55    69    79    80    81    82  
   41    46    47    48    49    50    55    56    67    51    52    53    54  
   46    47    48    55    51  
   43    44    45    79    81    82  
   44    45    81  
   45    81  
   81  
   47    48    49    50    55    56    67    51    52    53    54  
   48    49    50    55    51    52    53    54  
   49    50    55    56    57    58    59    67    51    52    53    54  
   50    55    56    67    51  
   55    56    67    51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    64    67    60  
   57    58    59    64    67    60    61    62    63  
   58    59    67    60  
   59    64    65    66    68    67    60    61    62    63  
   64    65    66    68    69    71    75    67    60    61    62    63  
   61    62    63    64    67  
   62    63  
   63  
    0  
   65    66    68    69    70    79    71    72    73    74    75    76    77    78    67  
   66    68    69    71    75    67  
   68    69    71    75    67  
   68  
   69    70    79    80    81    71    72    73    74    75    76    77    78  
   70    79    80    81    82    71    72    73    74    75    76    77    78  
   79    80    81    71    75  
   72    73    74    75    76    77    78    79  
   73    74    75  
   74    75  
   75  
   76    77    78    79  
   77    78  
   78  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   82   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    55   317.000  1.510
   40    41   340.000  1.080
   40    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   317.000  1.522
   55    67   320.000  1.410
   56    57   570.000  1.229
   56    58   320.000  1.462
   58    59   549.000  1.340
   58    60   317.000  1.510
   59    64   317.000  1.510
   59    67   440.000  1.360
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   317.000  1.510
   68    71   268.000  1.529
   68    75   268.000  1.529
   69    70   340.000  1.080
   69    79   549.000  1.340
   79    80   340.000  1.080
   79    81   465.000  1.376
   81    82   745.000  1.250
   81    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    55    65.00000  117.92700
   33    39    81    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    70.00000  124.00000
   38    55    48    70.00000  112.02700
   38    55    56    70.00000  109.06800
   38    55    67    85.00000  110.90400
   40    46    47    35.00000  109.50000
   40    46    48    70.00000  112.02700
   40    46    51    70.00000  112.02700
   46    40    41    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    55    56    63.00000  111.10000
   48    55    67    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    38    40    70.00000  124.00000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    56    57    80.00000  120.40000
   55    56    58    65.00000  118.62400
   55    67    59    90.00000  111.18400
   56    58    59    65.00000  118.96000
   56    58    60    65.00000  116.34900
   58    56    57    80.00000  123.72100
   58    59    64    70.00000  124.00000
   58    59    67    80.00000  120.01400
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    70.00000  112.02700
   64    68    69    70.00000  112.02700
   64    68    71    58.35000  112.70000
   64    68    75    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    69    70    35.00000  117.00000
   68    69    79    70.00000  124.00000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    37.50000  110.70000
   69    79    80    35.00000  120.00000
   69    79    81    70.00000  117.34000
   79    69    70    35.00000  120.00000
   79    81    82    65.00000  137.10300
   79    81    39    70.00000  123.01800
   81    79    80    40.00000  120.50800
   81    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    81    82    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   71    68    69    70.00000  112.02700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    69    70.00000  112.02700
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    55    56    90.00000  108.74100
   67    59    64    85.00000  112.85300
   60    58    59    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    55   0.30250  1.0 1.0
   29    33    38    55  -0.14950 -1.0 2.0
   29    33    38    55   0.36900  1.0 3.0
   29    33    39    81   0.42700  1.0 1.0
   29    33    39    81  -0.70350 -1.0 2.0
   29    33    39    81  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    46   7.00000 -1.0 2.0
   33    38    55    48   0.46850  1.0 1.0
   33    38    55    48   0.08550 -1.0 2.0
   33    38    55    48   0.09800  1.0 3.0
   33    38    55    56   0.17250  1.0 1.0
   33    38    55    56  -0.04100 -1.0 2.0
   33    38    55    56  -0.33850  1.0 3.0
   33    38    55    67   0.09700  1.0 1.0
   33    38    55    67   0.15600 -1.0 2.0
   33    38    55    67  -0.50800  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    55   0.34800  1.0 3.0
   34    33    39    81   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    81  -0.28300  1.0 1.0
   38    33    39    81   0.26700 -1.0 2.0
   38    33    39    81  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40   -46    48   0.09850  1.0 1.0
   38    40   -46    48   0.15250 -1.0 2.0
   38    40   -46    48  -0.50650  1.0 3.0
   38    40    46    51   0.09850  1.0 1.0
   38    40    46    51   0.15250 -1.0 2.0
   38    40    46    51  -0.50650  1.0 3.0
   38    55    56    57   0.30150 -1.0 2.0
   38    55    56    58   0.65300  1.0 1.0
   38    55    56    58  -0.03850 -1.0 2.0
   38    55    56    58   0.33900  1.0 3.0
   38    55    67    59  -0.48150  1.0 1.0
   38    55    67    59   0.09250 -1.0 2.0
   38    55    67    59  -0.12850  1.0 3.0
   40    38   -55    48   0.09850  1.0 1.0
   40    38   -55    48   0.15250 -1.0 2.0
   40    38   -55    48  -0.50650  1.0 3.0
   40    38    55    56  -0.51250  1.0 1.0
   40    38    55    56  -0.88800 -1.0 2.0
   40    38    55    56   0.08850  1.0 3.0
   40    38    55    67   0.39000  1.0 1.0
   40    38    55    67  -0.05800 -1.0 2.0
   40    38    55    67  -0.55150  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    50   0.15000  1.0 3.0
   40    46   -48    55   0.34400  1.0 1.0
   40    46   -48    55   0.09450 -1.0 2.0
   40    46   -48    55   0.11100  1.0 3.0
   40    46    51    52   0.15000  1.0 3.0
   40    46    51    53   0.15000  1.0 3.0
   40    46    51    54   0.15000  1.0 3.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    46    51   0.00000  1.0 1.0
   46    48   -55    38   0.34400  1.0 1.0
   46    48   -55    38   0.09450 -1.0 2.0
   46    48   -55    38   0.11100  1.0 3.0
   46    48    55    56  -0.95700  1.0 1.0
   46    48    55    56  -0.18200 -1.0 2.0
   46    48    55    56   0.29450  1.0 3.0
   46    48    55    67   0.62750  1.0 1.0
   46    48    55    67  -0.30950 -1.0 2.0
   46    48    55    67   0.27300  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   48    55    56    57   0.30150 -1.0 2.0
   48    55    56    58   0.65300  1.0 1.0
   48    55    56    58  -0.03850 -1.0 2.0
   48    55    56    58   0.33900  1.0 3.0
   48    55    67    59  -0.46850  1.0 1.0
   48    55    67    59   0.09300 -1.0 2.0
   48    55    67    59  -0.12850  1.0 3.0
   49    48    55    38   0.15000  1.0 3.0
   49    48    55    56  -0.11250  1.0 3.0
   49    48    55    67   0.23400  1.0 3.0
   50    48    55    38   0.15000  1.0 3.0
   50    48    55    56  -0.11250  1.0 3.0
   50    48    55    67   0.23400  1.0 3.0
   55    38    40    41   7.00000 -1.0 2.0
   55    38   -40    46   7.00000 -1.0 2.0
   55    56   -58    59  -0.33500  1.0 1.0
   55    56   -58    59   1.06600 -1.0 2.0
   55    56   -58    59  -0.14000  1.0 3.0
   55    56    58    60   0.25700  1.0 1.0
   55    56    58    60   0.66200 -1.0 2.0
   55    56    58    60   0.04450  1.0 3.0
   56    55   -67    59  -0.48150  1.0 1.0
   56    55   -67    59   0.09250 -1.0 2.0
   56    55   -67    59  -0.12850  1.0 3.0
   56    58    59    64   7.00000 -1.0 2.0
   56    58   -59    67   7.00000 -1.0 2.0
   56    58    60    61   0.15000  1.0 3.0
   56    58    60    62   0.15000  1.0 3.0
   56    58    60    63   0.15000  1.0 3.0
   57    56    58    59   1.00000 -1.0 2.0
   57    56    58    60  -0.64400  1.0 1.0
   57    56    58    60   0.26850 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    68   0.09850  1.0 1.0
   58    59    64    68   0.15250 -1.0 2.0
   58    59    64    68  -0.50650  1.0 3.0
   58    59   -67    55  -2.26850  1.0 1.0
   58    59   -67    55   3.39050 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    60    63   0.00000  1.0 1.0
   59    64    68    69   0.31000  1.0 1.0
   59    64    68    69   0.14700 -1.0 2.0
   59    64    68    69   0.07550  1.0 3.0
   59    64    68    71   0.34400  1.0 1.0
   59    64    68    71   0.09450 -1.0 2.0
   59    64    68    71   0.11100  1.0 3.0
   59    64    68    75   0.34400  1.0 1.0
   59    64    68    75   0.09450 -1.0 2.0
   59    64    68    75   0.11100  1.0 3.0
   64    59    67    55   2.00000 -1.0 2.0
   64    68    69    70   0.00000  1.0 1.0
   64    68    69    79   0.09850  1.0 1.0
   64    68    69    79   0.15250 -1.0 2.0
   64    68    69    79  -0.50650  1.0 3.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    74   0.15000  1.0 3.0
   64    68    75    76   0.15000  1.0 3.0
   64    68    75    77   0.15000  1.0 3.0
   64    68    75    78   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    68    75   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    71   0.15000  1.0 3.0
   66    64    68    75   0.15000  1.0 3.0
   68    69    79    80   7.00000 -1.0 2.0
   68    69    79    81   7.00000 -1.0 2.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    78   0.15000  1.0 3.0
   69    79    81    82   7.00000 -1.0 2.0
   69    79    81    39   7.00000 -1.0 2.0
   70    69    79    80   7.00000 -1.0 2.0
   70    69    79    81   7.00000 -1.0 2.0
   79    81    39    33   7.00000 -1.0 2.0
   79    81    39    42   7.00000 -1.0 2.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    39   7.00000 -1.0 2.0
   81    39    42    43   0.00000  1.0 1.0
   81    39    42    44   0.00000  1.0 1.0
   81    39    42    45   0.00000  1.0 1.0
   82    81    39    33   7.00000 -1.0 2.0
   82    81    39    42   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33    38    55   0.09700  1.0 1.0
   39    33    38    55   0.15600 -1.0 2.0
   39    33    38    55  -0.50800  1.0 3.0
   71    68    69    70   0.00000  1.0 1.0
   71    68    69    79   0.09850  1.0 1.0
   71    68    69    79   0.15250 -1.0 2.0
   71    68    69    79  -0.50650  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    69    70   0.00000  1.0 1.0
   75    68    69    79   0.09850  1.0 1.0
   75    68    69    79   0.15250 -1.0 2.0
   75    68    69    79  -0.50650  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
   67    55    56    57   0.30150 -1.0 2.0
   67    55   -56    58   0.65300  1.0 1.0
   67    55   -56    58  -0.03850 -1.0 2.0
   67    55   -56    58   0.33900  1.0 3.0
   67    59    64    65   0.00000  1.0 1.0
   67    59    64    66   0.00000  1.0 1.0
   67    59    64    68   0.09700  1.0 1.0
   67    59    64    68   0.15600 -1.0 2.0
   67    59    64    68  -0.50800  1.0 3.0
   60    58    59    64   7.00000 -1.0 2.0
   60    58    59    67   7.00000 -1.0 2.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    55   0.56750  1.0 1.0
   51    46    48    55  -0.07550 -1.0 2.0
   51    46    48    55   0.20000  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    55    38    40   1.10000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   55    58    56    57  10.50000 -1.0 2.0
   56    60    58    59   1.10000 -1.0 2.0
   64    67    59    58   1.10000 -1.0 2.0
   68    70    69    79   1.10000 -1.0 2.0
   81    80    79    69   1.10000 -1.0 2.0
   79    82    81    39   1.10000 -1.0 2.0
   33    42    39    81   1.10000 -1.0 2.0
END
