* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    159    248     469
    1     0 S   NP   _N1_     1    28.64336    97.25204   -22.36033
    2     1 S   H    _HN1     2     1.02788   100.91100   -98.57826
    3     1 S   H    _H1_     3     1.02957    70.80116     7.19566
    4     1 S   H    _H2_     4     1.02827    41.55935   156.65824
    5     1 S   CT   _CA1     5     1.50140   143.63720   105.76052
    6     5 S   HC   _HA1     6     1.09577   105.19048    92.48492
    7     5 S   CO3  _C1_     7     1.53770   112.43459   -27.69262
    8     7 S   O2Z  _O11     8     1.26369   115.00627   -42.88794
    9     7 S   O2Z  _O12     9     1.26244   114.93458   136.14262
   10     5 S   CT   _CB1    10     1.53054   107.37731  -149.62613
   11    10 S   HC   HB11    11     1.09837   109.26195   -50.31263
   12    10 S   HC   HB12    12     1.09820   110.45463    66.21664
   13    10 S   CT   _CG1    13     1.53023   112.72781  -171.36978
   14    13 S   HC   HG11    14     1.09586   110.56358   -65.96774
   15    13 S   HC   HG12    15     1.09657   109.90612    53.33124
   16    13 S   C    _CD1    16     1.51766   112.11891   173.63644
   17    16 S   O    _OE1    17     1.22760   123.21576     3.09288
   18    16 S   N    _N2_    18     1.38632   111.85486  -176.73697
   19    18 S   H    _HN2    19     1.01564   119.12083     2.99892
   20    18 S   CT1  _CA2    20     1.45934   122.72415   177.93095
   21    20 S   HC   _HA2    21     1.09501   109.61225    20.82790
   22    20 S   C    _C2_    22     1.52813   105.20383   -95.42109
   23    22 S   O    _O2_    23     1.22953   122.77910   -95.38122
   24    20 S   CT   _CB2    32     1.53290   111.70959   144.34712
   25    24 S   HC   HB21    33     1.09631   110.27990    53.25938
   26    24 S   HC   HB22    34     1.09570   111.03430   171.42515
   27    22 S   N    _N3_    24     1.38528   112.77682    81.56078
   28    27 S   H    _HN3    25     1.01739   119.89126    -0.51434
   29    24 S   S    _SG2    35     1.82703   112.75841   -66.01450
   30    27 S   CT   _CA3    26     1.45301   122.60344  -178.78308
   31    30 S   HC   HA31    27     1.09564   107.30581   -65.50200
   32    30 S   HC   HA32    28     1.09562   108.09721    50.79587
   33    29 S   CT   _C22    36     1.85087    99.49210   -78.93404
   34    33 S   HC   _H25    37     1.09711   107.15381   -75.58884
   35    33 S   HC   _H26    38     1.08681   103.82684    38.61565
   36    30 S   CO3  _C3_    29     1.52873   114.43520   172.63777
   37    36 S   O2Z  _O31    30     1.26314   116.12862    -9.32171
   38    36 S   O2Z  _O32    31     1.26442   114.39853   170.89200
   39    33 S   CT   _C11    39     1.55605   116.11476   159.55770
   40    39 S   OM   _O37    40     1.32775   106.79222    59.76219
   41    39 S   CT   _C10    41     1.53867   112.32777   -61.72096
   42    41 S   HC   _H4_    42     1.09667   113.68558    69.46982
   43    41 S   CT   _C9_    43     1.54183   106.66778  -169.41084
   44    43 S   HC   _H11    44     1.09435   111.63211   145.87325
   45    43 S   HC   _H12    45     1.09611   110.10705   -94.41185
   46    41 S   OS   _O36    60     1.43372   108.13350   -48.64698
   47    43 S   CT   _C8_    46     1.54263   105.09286    25.05044
   48    47 S   HC   _H3_    47     1.08956   111.29618   128.99553
   49    39 S   CT   _C12    48     1.60408   118.05174  -173.63234
   50    47 S   OS   _O34    73     1.44654   109.87428  -112.95993
   51    49 S   CT   _C13    49     1.62048   111.21483    52.96328
   52    49 S   CT   _C21    69     1.54621   113.05339   -72.87035
   53    52 S   HC   _H22    70     1.09423   111.61782    62.03958
   54    52 S   HC   _H23    71     1.09507   112.59630   -57.56448
   55    52 S   HC   _H24    72     1.09361   111.50228  -176.92999
   56    50 S   CO4  _C7_    74     1.35978   117.39234   -78.54237
   57    56 S   O    _O33    75     1.21901   126.69304    -0.62307
   58    51 S   CT   _C14    50     1.55705   111.81871   -80.42845
   59    58 S   HC   _H13    51     1.08714   114.23787    37.93699
   60    58 S   HC   _H14    52     1.09944   108.97502   -78.72813
   61    51 S   CT   _C20    65     1.57077   112.12099   164.44552
   62    61 S   HC   _H19    66     1.09348   113.07554   -71.05923
   63    61 S   HC   _H20    67     1.09668   111.35870   170.57379
   64    61 S   HC   _H21    68     1.09380   111.95517    50.96874
   65    56 S   CM   _C6_    76     1.48131   107.02612   179.81129
   66    65 S   HC   _H10    77     1.08766   115.97696     9.09928
   67    58 S   CO4  _C15    53     1.51378   115.70591   161.73458
   68    67 S   O    _O35    54     1.23194   120.26293   155.53353
   69    65 S   CM   _C5_    78     1.34054   125.74651  -171.54518
   70    69 S   HC   _H9_    79     1.08947   116.45084  -178.75825
   71    67 S   CM   _C16    55     1.48467   119.57394   -27.41353
   72    69 S   CT   _C4_    80     1.49330   129.31963     2.13130
   73    72 S   HC   _H6_    81     1.09417   109.90790  -109.70647
   74    72 S   HC   _H7_    82     1.09514   109.30106   131.96372
   75    72 S   HC   _H8_    83     1.09071   113.91382    12.43735
   76    71 S   CM   _C17    56     1.33835   119.49619     7.57012
   77    76 S   HC   _H15    57     1.08924   118.21939  -178.82247
   78    71 S   CT   _C19    61     1.49700   117.41494  -171.91966
   79    78 S   HC   _H16    62     1.09487   110.42809   -62.97123
   80    78 S   HC   _H17    63     1.09506   111.99440   177.01089
   81    78 S   HC   _H18    64     1.09476   110.45447    57.06853
   82    51 S   CT   _C18    58     1.56605   109.86542    46.41253
   83    82 S   HC   _H5_    59     1.09753   108.32953    88.96816
  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   7   5   4   3
  12   5   4   2   1   1  19   8  14   7  11   6   5  10  14   5
  18   7  18   6   2   1   1   6   3  13   6   5   7   3   2   1
   7   3   9   3   5   4   8   3   2   1   1   7   3   4   2   1
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    49    51    46    52  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49    51    58    82    46    61    52    53    54    55    50  
   41    42    43    47    49    51    46    52  
   42    43    44    45    47    48    49    51    76    82    83    46    52    50  
   43    44    45    47    49    82    46  
   44    45    47    48    49    51    82    46    52    50    56  
   45    47    48    49    46    50  
   47    48    49    46    50  
   61    47    49    51    58    71    76    77    82    83  
   48    49    51    58    82    61    52    53    54    55    50    56    57    65  
   49    51    52    50    56  
   51    58    59    60    67    76    82    83    61    62    63    64    52    53    54    55    50    56  
   56    57    65    66    69    51    52  
   58    59    60    67    68    71    76    77    82    83    61    62    63    64    52    53    54    55  
   53    54    55    58    61    82  
   54    55  
   55  
    0  
   57    65    66    69    70    72  
   65    66    69  
   59    60    67    68    71    76    82    83    78    61    62    63    64  
   60    67    68    71    82    61  
   67    68    71    82    61  
   62    63    64    67    76    82    83  
   63    64    82  
   64    82  
   82  
   66    69    70    72    73    74    75  
   69    70    72  
   68    71    76    77    82    78    79    80    81  
   71    76    78  
   70    72    73    74    75  
   72    73    74    75  
   76    77    82    83    78    79    80    81  
   73    74    75  
   74    75  
   75  
    0  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    49   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    58   268.000  1.529
   51    82   268.000  1.529
   51    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   317.000  1.522
   67    68   570.000  1.229
   67    71   320.000  1.462
   71    76   549.000  1.340
   71    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    46   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   50    56   214.000  1.327
   56    57   570.000  1.229
   56    65   320.000  1.462
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    49    47    58.35000  112.70000
   39    49    51    58.35000  112.70000
   39    49    52    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    82    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50    56    83.00000  116.90000
   49    39    40    50.00000  109.50000
   49    39    41    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    51    82    58.35000  112.70000
   49    51    61    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    67    63.00000  111.10000
   51    82    76    70.00000  112.02700
   51    82    83    37.50000  110.70000
   51    82    46    50.00000  109.50000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   58    67    68    80.00000  120.40000
   58    67    71    65.00000  118.62400
   60    58    59    33.00000  107.80000
   67    58    59    35.00000  109.50000
   67    58    60    35.00000  109.50000
   67    71    76    65.00000  118.96000
   67    71    78    65.00000  116.34900
   71    67    68    80.00000  123.72100
   71    76    77    35.00000  120.00000
   71    76    82    70.00000  124.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    46    85.00000  110.90400
   82    51    58    58.35000  112.70000
   82    76    77    35.00000  117.00000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    82    83    35.00000  109.50000
   78    71    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    51    58    58.35000  112.70000
   61    51    82    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50    56    57    83.00000  123.40000
   50    56    65    90.00000  111.29400
   56    65    66    40.00000  117.72500
   56    65    69    65.00000  118.96000
   65    56    57    80.00000  123.72100
   65    69    70    35.00000  120.00000
   65    69    72    70.00000  124.00000
   69    65    66    35.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   72    69    70    35.00000  117.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    49    47   0.56750  1.0 1.0
   33    39    49    47  -0.07550 -1.0 2.0
   33    39    49    47   0.20000  1.0 3.0
   33    39    49    51   0.56750  1.0 1.0
   33    39    49    51  -0.07550 -1.0 2.0
   33    39    49    51   0.20000  1.0 3.0
   33    39    49    52   0.56750  1.0 1.0
   33    39    49    52  -0.07550 -1.0 2.0
   33    39    49    52   0.20000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    46    82   0.06250  1.0 1.0
   39    41    46    82  -0.01100 -1.0 2.0
   39    41    46    82   0.28050  1.0 3.0
   39    49    51    58   0.56750  1.0 1.0
   39    49    51    58  -0.07550 -1.0 2.0
   39    49    51    58   0.20000  1.0 3.0
   39    49   -51    82   0.56750  1.0 1.0
   39    49   -51    82  -0.07550 -1.0 2.0
   39    49   -51    82   0.20000  1.0 3.0
   39    49    51    61   0.56750  1.0 1.0
   39    49    51    61  -0.07550 -1.0 2.0
   39    49    51    61   0.20000  1.0 3.0
   39    49    52    53   0.15000  1.0 3.0
   39    49    52    54   0.15000  1.0 3.0
   39    49    52    55   0.15000  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43   0.62750  1.0 1.0
   40    39    41    43  -0.30950 -1.0 2.0
   40    39    41    43   0.27300  1.0 3.0
   40    39    41    46   1.11900  1.0 1.0
   40    39    41    46  -1.16350 -1.0 2.0
   40    39    41    46  -0.34150  1.0 3.0
   40    39    49    47   0.62750  1.0 1.0
   40    39    49    47  -0.30950 -1.0 2.0
   40    39    49    47   0.27300  1.0 3.0
   40    39    49    51   0.62750  1.0 1.0
   40    39    49    51  -0.30950 -1.0 2.0
   40    39    49    51   0.27300  1.0 3.0
   40    39    49    52   0.62750  1.0 1.0
   40    39    49    52  -0.30950 -1.0 2.0
   40    39    49    52   0.27300  1.0 3.0
   41    39   -49    47   0.56750  1.0 1.0
   41    39   -49    47  -0.07550 -1.0 2.0
   41    39   -49    47   0.20000  1.0 3.0
   41    39    49    51   0.56750  1.0 1.0
   41    39    49    51  -0.07550 -1.0 2.0
   41    39    49    51   0.20000  1.0 3.0
   41    39    49    52   0.56750  1.0 1.0
   41    39    49    52  -0.07550 -1.0 2.0
   41    39    49    52   0.20000  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    49   0.56750  1.0 1.0
   41    43   -47    49  -0.07550 -1.0 2.0
   41    43   -47    49   0.20000  1.0 3.0
   41    43    47    50   0.62750  1.0 1.0
   41    43    47    50  -0.30950 -1.0 2.0
   41    43    47    50   0.27300  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    82   0.37050  1.0 3.0
   43    41    46    82   0.06250  1.0 1.0
   43    41    46    82  -0.01100 -1.0 2.0
   43    41    46    82   0.28050  1.0 3.0
   43    47   -49    39   0.56750  1.0 1.0
   43    47   -49    39  -0.07550 -1.0 2.0
   43    47   -49    39   0.20000  1.0 3.0
   43    47    49    51   0.56750  1.0 1.0
   43    47    49    51  -0.07550 -1.0 2.0
   43    47    49    51   0.20000  1.0 3.0
   43    47    49    52   0.56750  1.0 1.0
   43    47    49    52  -0.07550 -1.0 2.0
   43    47    49    52   0.20000  1.0 3.0
   43    47    50    56  -0.25900  1.0 1.0
   43    47    50    56  -0.47000 -1.0 2.0
   43    47    50    56   0.11750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.23400  1.0 3.0
   47    49    51    58   0.56750  1.0 1.0
   47    49    51    58  -0.07550 -1.0 2.0
   47    49    51    58   0.20000  1.0 3.0
   47    49    51    82   0.56750  1.0 1.0
   47    49    51    82  -0.07550 -1.0 2.0
   47    49    51    82   0.20000  1.0 3.0
   47    49    51    61   0.56750  1.0 1.0
   47    49    51    61  -0.07550 -1.0 2.0
   47    49    51    61   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    55   0.15000  1.0 3.0
   47    50    56    57   3.00000 -1.0 2.0
   47    50    56    65   2.00000 -1.0 2.0
   48    47    49    39   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    50    56   0.08050  1.0 3.0
   49    39    41    42   0.15000  1.0 3.0
   49    39   -41    43   0.56750  1.0 1.0
   49    39   -41    43  -0.07550 -1.0 2.0
   49    39   -41    43   0.20000  1.0 3.0
   49    39    41    46   0.62750  1.0 1.0
   49    39    41    46  -0.30950 -1.0 2.0
   49    39    41    46   0.27300  1.0 3.0
   49    47    50    56  -0.25900  1.0 1.0
   49    47    50    56  -0.47000 -1.0 2.0
   49    47    50    56   0.11750  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    67  -0.95700  1.0 1.0
   49    51    58    67  -0.18200 -1.0 2.0
   49    51    58    67   0.29450  1.0 3.0
   49    51    82    76   0.34400  1.0 1.0
   49    51    82    76   0.09450 -1.0 2.0
   49    51    82    76   0.11100  1.0 3.0
   49    51    82    83   0.15000  1.0 3.0
   49    51   -82    46   0.62750  1.0 1.0
   49    51   -82    46  -0.30950 -1.0 2.0
   49    51   -82    46   0.27300  1.0 3.0
   49    51    61    62   0.15000  1.0 3.0
   49    51    61    63   0.15000  1.0 3.0
   49    51    61    64   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    58    67    68   0.30150 -1.0 2.0
   51    58    67    71   0.65300  1.0 1.0
   51    58    67    71  -0.03850 -1.0 2.0
   51    58    67    71   0.33900  1.0 3.0
   51    82   -46    41   0.06250  1.0 1.0
   51    82   -46    41  -0.01100 -1.0 2.0
   51    82   -46    41   0.28050  1.0 3.0
   58    51    82    76   0.34400  1.0 1.0
   58    51    82    76   0.09450 -1.0 2.0
   58    51    82    76   0.11100  1.0 3.0
   58    51    82    83   0.15000  1.0 3.0
   58    51    82    46   0.62750  1.0 1.0
   58    51    82    46  -0.30950 -1.0 2.0
   58    51    82    46   0.27300  1.0 3.0
   58    51    61    62   0.15000  1.0 3.0
   58    51    61    63   0.15000  1.0 3.0
   58    51    61    64   0.15000  1.0 3.0
   58    67   -71    76  -0.33500  1.0 1.0
   58    67   -71    76   1.06600 -1.0 2.0
   58    67   -71    76  -0.14000  1.0 3.0
   58    67    71    78   0.25700  1.0 1.0
   58    67    71    78   0.66200 -1.0 2.0
   58    67    71    78   0.04450  1.0 3.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    71   0.00000  1.0 1.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    71   0.00000  1.0 1.0
   67    71    76    77   7.00000 -1.0 2.0
   67    71    76    82   7.00000 -1.0 2.0
   67    71    78    79   0.15000  1.0 3.0
   67    71    78    80   0.15000  1.0 3.0
   67    71    78    81   0.15000  1.0 3.0
   68    67    71    76   1.00000 -1.0 2.0
   68    67    71    78  -0.64400  1.0 1.0
   68    67    71    78   0.26850 -1.0 2.0
   71    76   -82    51   0.09850  1.0 1.0
   71    76   -82    51   0.15250 -1.0 2.0
   71    76   -82    51  -0.50650  1.0 3.0
   71    76    82    83   0.00000  1.0 1.0
   71    76    82    46   0.39000  1.0 1.0
   71    76    82    46  -0.05800 -1.0 2.0
   71    76    82    46  -0.55150  1.0 3.0
   76    71    78    79   0.00000  1.0 1.0
   76    71    78    80   0.00000  1.0 1.0
   76    71    78    81   0.00000  1.0 1.0
   76    82    46    41  -0.77900  1.0 1.0
   76    82    46    41  -0.36900 -1.0 2.0
   76    82    46    41   0.40400  1.0 3.0
   77    76    82    51   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    46   0.00000  1.0 1.0
   82    51    58    59   0.15000  1.0 3.0
   82    51    58    60   0.15000  1.0 3.0
   82    51   -58    67  -0.95700  1.0 1.0
   82    51   -58    67  -0.18200 -1.0 2.0
   82    51   -58    67   0.29450  1.0 3.0
   82    51    61    62   0.15000  1.0 3.0
   82    51    61    63   0.15000  1.0 3.0
   82    51    61    64   0.15000  1.0 3.0
   83    82    46    41   0.37050  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
   78    71    76    77   7.00000 -1.0 2.0
   78    71    76    82   7.00000 -1.0 2.0
   61    51    58    59   0.15000  1.0 3.0
   61    51    58    60   0.15000  1.0 3.0
   61    51    58    67  -0.95700  1.0 1.0
   61    51    58    67  -0.18200 -1.0 2.0
   61    51    58    67   0.29450  1.0 3.0
   61    51    82    76   0.34400  1.0 1.0
   61    51    82    76   0.09450 -1.0 2.0
   61    51    82    76   0.11100  1.0 3.0
   61    51    82    83   0.15000  1.0 3.0
   61    51    82    46   0.62750  1.0 1.0
   61    51    82    46  -0.30950 -1.0 2.0
   61    51    82    46   0.27300  1.0 3.0
   52    49    51    58   0.56750  1.0 1.0
   52    49    51    58  -0.07550 -1.0 2.0
   52    49    51    58   0.20000  1.0 3.0
   52    49    51    82   0.56750  1.0 1.0
   52    49    51    82  -0.07550 -1.0 2.0
   52    49    51    82   0.20000  1.0 3.0
   52    49    51    61   0.56750  1.0 1.0
   52    49    51    61  -0.07550 -1.0 2.0
   52    49    51    61   0.20000  1.0 3.0
   50    47    49    39   0.62750  1.0 1.0
   50    47    49    39  -0.30950 -1.0 2.0
   50    47    49    39   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   50    56    65    66   1.63100 -1.0 2.0
   50    56    65    69  -0.56150  1.0 1.0
   50    56    65    69   2.19150 -1.0 2.0
   56    65    69    70   7.00000 -1.0 2.0
   56    65    69    72   7.00000 -1.0 2.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    69   1.00000 -1.0 2.0
   65    69    72    73   0.00000  1.0 1.0
   65    69    72    74   0.00000  1.0 1.0
   65    69    72    75   0.00000  1.0 1.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    72   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.33100  1.0 3.0
   70    69    72    75   0.33100  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
   37    30    36    38  10.50000 -1.0 2.0
   58    71    67    68  10.50000 -1.0 2.0
   67    78    71    76   1.10000 -1.0 2.0
   82    77    76    71   1.10000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
   56    66    65    69  15.00000 -1.0 2.0
   72    70    69    65  15.00000 -1.0 2.0
END
