* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    154    242     467
    1     0 S   NP   _N1_     1    28.89615    93.06959   -24.85770
    2     1 S   H    _HN1     2     1.02778   115.04584   -87.15537
    3     1 S   H    _H1_     3     1.02959    90.09965    23.20330
    4     1 S   H    _H2_     4     1.02834    16.95615  -155.49482
    5     1 S   CT   _CA1     5     1.50124   118.11045   136.52063
    6     5 S   HC   _HA1     6     1.09576   105.22196    75.96967
    7     5 S   CO3  _C1_     7     1.53776   112.38007   -44.22212
    8     7 S   O2Z  _O11     8     1.26360   115.00076   -44.02870
    9     7 S   O2Z  _O12     9     1.26237   114.91545   135.09732
   10     5 S   CT   _CB1    10     1.53089   107.41955  -166.14245
   11    10 S   HC   HB11    11     1.09827   109.29662   -50.87427
   12    10 S   HC   HB12    12     1.09818   110.43040    65.66094
   13    10 S   CT   _CG1    13     1.53018   112.69705  -171.97407
   14    13 S   HC   HG11    14     1.09595   110.46905   -64.54145
   15    13 S   HC   HG12    15     1.09656   109.95482    54.68781
   16    13 S   C    _CD1    16     1.51827   112.29561   175.01634
   17    16 S   O    _OE1    17     1.22728   123.24706    -0.52638
   18    16 S   N    _N2_    18     1.38636   111.66283   179.68973
   19    18 S   H    _HN2    19     1.01582   119.04539     1.01799
   20    18 S   CT1  _CA2    20     1.46184   123.37128   179.38198
   21    20 S   HC   _HA2    21     1.09729   109.38458    -4.30994
   22    20 S   C    _C2_    22     1.53537   108.56698  -119.96446
   23    22 S   O    _O2_    23     1.23041   122.15912  -146.84635
   24    20 S   CT   _CB2    32     1.53323   111.62927   117.67112
   25    24 S   HC   HB21    33     1.09579   109.95737    56.67488
   26    24 S   HC   HB22    34     1.09420   110.01430   175.59807
   27    22 S   N    _N3_    24     1.38476   113.55732    40.50910
   28    27 S   H    _HN3    25     1.01503   118.94584    -0.75589
   29    24 S   S    _SG2    35     1.82643   112.02054   -63.93343
   30    27 S   CT   _CA3    26     1.45456   123.57941   175.39942
   31    30 S   HC   HA31    27     1.09511   109.45701    20.44125
   32    30 S   HC   HA32    28     1.09503   107.07934   137.45024
   33    29 S   CT   _C15    36     1.85112    99.31362  -179.42973
   34    33 S   HC   _H12    37     1.09595   106.96954   -20.70325
   35    30 S   CO3  _C3_    29     1.52892   112.91295  -103.19400
   36    35 S   O2Z  _O31    30     1.26414   115.30172   -47.44791
   37    35 S   O2Z  _O32    31     1.26340   115.04560   133.43877
   38    33 S   CT   _C14    38     1.54367   108.52737  -139.03095
   39    38 S   HC   _H11    39     1.09806   109.81543   -53.59889
   40    38 S   CT   _C13    40     1.53627   112.03090  -174.06360
   41    40 S   HC   _H10    41     1.09587   110.28783   176.22872
   42    38 S   OH   _O37    83     1.42901   109.79360    64.38746
   43    42 S   HO   _H19    84     0.97205   107.80347   175.06763
   44    40 S   CT   _C12    42     1.53487   110.43836    54.18137
   45    44 S   HC   _H9_    43     1.09720   109.12749    64.15076
   46    40 S   OH   _O38    81     1.42895   109.13478   -68.14038
   47    46 S   HO   _H20    82     0.97341   107.69296   154.47485
   48    44 S   CT   _C11    44     1.53712   112.62038   -56.55466
   49    48 S   HC   _H8_    45     1.09760   109.25532   177.75162
   50    44 S   OH   _O39    79     1.42601   109.81833  -178.75667
   51    50 S   HO   _H21    80     0.97242   107.74343   -58.69344
   52    33 S   CT   _C16    46     1.54412   109.50140    99.41577
   53    52 S   HC   _H13    47     1.09828   109.45325    54.15282
   54    48 S   OS   _O35    50     1.43471   108.97947   -62.60298
   55    52 S   OH   _O36    48     1.42697   110.15665   -63.59966
   56    55 S   HO   _H18    49     0.97243   107.52792   173.77424
   57    54 S   CO   _C10    51     1.43240   114.02350  -135.43402
   58    57 S   HC   _H7_    52     1.09718   109.46631   -46.56778
   59    57 S   CT   _C6_    53     1.53980   107.80132  -166.71078
   60    59 S   HC   _H3_    54     1.09783   108.28991   -55.83537
   61    59 S   CT   _C7_    55     1.53695   110.79982  -174.80333
   62    61 S   HC   _H4_    56     1.09665   109.19138   173.54287
   63    59 S   N    _N4_    71     1.46380   110.99529    62.56398
   64    63 S   H    _H17    72     1.01574   117.06303    75.12882
   65    61 S   CT   _C8_    57     1.53118   110.80615    51.08423
   66    65 S   HC   _H5_    58     1.09651   110.30846  -171.44000
   67    61 S   OH   _O42    69     1.43015   109.25362   -68.93105
   68    67 S   HO   _H26    70     0.97286   107.56053  -174.99672
   69    63 S   C    _C5_    73     1.38205   123.46466  -101.15484
   70    69 S   O    _O33    74     1.22792   125.55893    -3.08147
   71    65 S   CT   _C9_    59     1.53766   110.65559   -50.97487
   72    71 S   HC   _H6_    60     1.09774   110.54549   -63.80419
   73    65 S   OH   _O41    67     1.42633   109.53469    70.15196
   74    73 S   HO   _H25    68     0.97260   107.78227    60.32847
   75    69 S   CT   _C4_    75     1.50495   112.70967   178.74150
   76    75 S   HC   _H14    76     1.09315   109.17605    87.99572
   77    75 S   HC   _H15    77     1.09345   109.41744  -152.22375
   78    75 S   HC   _H16    78     1.09336   111.09443   -32.55041
   79    57 S   OS   _O34    61     1.43069   109.78904    73.72153
   80    71 S   CT   _C17    62     1.52898   111.89083   174.53062
   81    80 S   HC   _H22    63     1.09435   111.07384    49.60104
   82    80 S   HC   _H23    64     1.09488   111.45233   -73.00349
   83    80 S   OH   _O40    65     1.42548   109.01383   168.28622
   84    83 S   HO   _H24    66     0.97238   106.97072   177.56474
  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  10   5   4   3
  16   8   2   1   1  14   7  13   7   4   1  12   7   3   1  12
   6   3   1   5   3   9   1   1  14   6  15   8  14   7  10   3
  12   7   3   1   5   4   9   6   3   1   3   2   1   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    53    55    56    54    46    42    43  
   38    39    40    48    52    53    55    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    55    50    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    49    52    54    50    51    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    52  
    0  
   45    48    49    52    53    55    54    57    50    51    46    47  
   48    49    52    54    50    51    46  
   47    48    50  
    0  
   49    52    53    55    56    54    57    58    59    79    50    51  
   52    53    55    54    57    50  
   51    52    54  
    0  
   53    55    56    54    57  
   55    56    54  
   57    58    59    60    61    71    79    63    55  
   56  
    0  
   58    59    60    61    62    65    71    72    79    80    67    63    64    69  
   59    60    61    71    79    63  
   60    61    62    65    66    71    79    73    67    68    63    64    69    70    75  
   61    62    65    79    67    63    64    69  
   62    65    66    71    72    79    80    73    74    67    68    63    64    69  
   65    66    71    73    67    68    63  
   64    69    70    75    76    77    78    65    67    79  
   69    70    75  
   66    71    72    79    80    81    82    83    73    74    67    68  
   71    72    79    80    73    74    67  
   68    71    73  
    0  
   70    75    76    77    78  
   75    76    77    78  
   72    79    80    81    82    83    84    73    74  
   79    80    81    82    83    73  
   74    79    80  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    55   320.000  1.410
   55    56   553.000  0.945
   54    57   320.000  1.380
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    79   320.000  1.380
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   337.000  1.449
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    73   320.000  1.410
   71    72   340.000  1.090
   71    79   320.000  1.410
   71    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   553.000  0.945
   73    74   553.000  0.945
   67    68   553.000  0.945
   63    64   434.000  1.010
   63    69   490.000  1.335
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   50    51   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
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  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    48    54    50.00000  109.50000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    55    50.00000  109.50000
   48    54    57    60.00000  109.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    55    56    55.00000  108.50000
   55    52    53    35.00000  109.50000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   54    57    58    35.00000  109.50000
   54    57    59    90.00000  108.56700
   54    57    79    92.60000  111.55000
   57    59    60    45.00000  108.72000
   57    59    61    75.00000  109.43000
   57    59    63    70.00000  110.72300
   57    79    71    60.00000  109.50000
   59    57    58    45.00000  112.01100
   59    61    62    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    67    50.00000  109.50000
   59    63    64    38.00000  118.40000
   59    63    69    50.00000  121.90000
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    71    58.35000  112.70000
   61    65    73    50.00000  109.50000
   61    67    68    55.00000  108.50000
   65    61    62    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    79    50.00000  109.50000
   65    71    80    58.35000  112.70000
   65    73    74    55.00000  108.50000
   71    65    66    37.50000  110.70000
   71    80    81    37.50000  110.70000
   71    80    82    37.50000  110.70000
   71    80    83    50.00000  109.50000
   79    57    58    35.00000  109.50000
   79    57    59    90.00000  108.56700
   79    71    72    35.00000  109.50000
   80    71    72    37.50000  110.70000
   80    71    79    50.00000  109.50000
   80    83    84    55.00000  108.50000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   73    65    66    35.00000  109.50000
   73    65    71    50.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    65    50.00000  109.50000
   63    59    60    35.00000  109.50000
   63    59    61    70.00000  110.72300
   63    69    70    80.00000  122.90000
   63    69    75    70.00000  116.60000
   69    63    64    35.00000  119.80000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   75    69    70    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    55    56  -0.11600  1.0 1.0
   33    52    55    56  -0.09450 -1.0 2.0
   33    52    55    56   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    55   0.86500  1.0 1.0
   38    33    52    55  -0.17500 -1.0 2.0
   38    33    52    55   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    52   0.56750  1.0 1.0
   40    44    48    52  -0.07550 -1.0 2.0
   40    44    48    52   0.20000  1.0 3.0
   40    44    48    54   0.62750  1.0 1.0
   40    44    48    54  -0.30950 -1.0 2.0
   40    44    48    54   0.27300  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.56750  1.0 1.0
   44    48   -52    33  -0.07550 -1.0 2.0
   44    48   -52    33   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    55   0.86500  1.0 1.0
   44    48    52    55  -0.17500 -1.0 2.0
   44    48    52    55   0.20800  1.0 3.0
   44    48    54    57   0.06250  1.0 1.0
   44    48    54    57  -0.01100 -1.0 2.0
   44    48    54    57   0.28050  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    54   0.23400  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    52    55    56  -0.11600  1.0 1.0
   48    52    55    56  -0.09450 -1.0 2.0
   48    52    55    56   0.21250  1.0 3.0
   48    54    57    58   0.37050  1.0 3.0
   48    54    57    59   0.06250  1.0 1.0
   48    54    57    59  -0.01100 -1.0 2.0
   48    54    57    59   0.28050  1.0 3.0
   48    54    57    79  -0.53350  1.0 1.0
   48    54    57    79  -0.78350 -1.0 2.0
   48    54    57    79   0.33750  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.23400  1.0 3.0
   49    48    54    57   0.37050  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    48    54    57   0.06250  1.0 1.0
   52    48    54    57  -0.01100 -1.0 2.0
   52    48    54    57   0.28050  1.0 3.0
   53    52    55    56   0.19450  1.0 3.0
   54    48    52    33   0.62750  1.0 1.0
   54    48    52    33  -0.30950 -1.0 2.0
   54    48    52    33   0.27300  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    55   3.69350  1.0 1.0
   54    48    52    55  -1.82950 -1.0 2.0
   54    57    59    60   0.23400  1.0 3.0
   54    57    59    61   0.62750  1.0 1.0
   54    57    59    61  -0.30950 -1.0 2.0
   54    57    59    61   0.27300  1.0 3.0
   54    57    59    63   1.12100  1.0 1.0
   54    57    59    63  -0.16500 -1.0 2.0
   54    57    79    71  -0.81800  1.0 1.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    65   3.97050  1.0 1.0
   57    59    61    67   0.86500  1.0 1.0
   57    59    61    67  -0.17500 -1.0 2.0
   57    59    61    67   0.20800  1.0 3.0
   57    59    63    64   0.00000  1.0 1.0
   57    59    63    69  -0.43950  1.0 1.0
   57    59    63    69  -0.08100 -1.0 2.0
   57    59    63    69   0.03350  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    79    71   0.37050  1.0 3.0
   59    57    79    71   0.06250  1.0 1.0
   59    57    79    71  -0.01100 -1.0 2.0
   59    57    79    71   0.28050  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61   -65    71   0.56750  1.0 1.0
   59    61   -65    71  -0.07550 -1.0 2.0
   59    61   -65    71   0.20000  1.0 3.0
   59    61    65    73   0.86500  1.0 1.0
   59    61    65    73  -0.17500 -1.0 2.0
   59    61    65    73   0.20800  1.0 3.0
   59    61    67    68  -0.11600  1.0 1.0
   59    61    67    68  -0.09450 -1.0 2.0
   59    61    67    68   0.21250  1.0 3.0
   59    63    69    70   3.04450 -1.0 2.0
   59    63    69    75   1.49850  1.0 1.0
   59    63    69    75   1.53950 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    69   0.00000  1.0 1.0
   61    59    63    64   0.00000  1.0 1.0
   61    59    63    69  -0.43950  1.0 1.0
   61    59    63    69  -0.08100 -1.0 2.0
   61    59    63    69   0.03350  1.0 3.0
   61    65    71    72   0.15000  1.0 3.0
   61    65    71    79   0.62750  1.0 1.0
   61    65    71    79  -0.30950 -1.0 2.0
   61    65    71    79   0.27300  1.0 3.0
   61    65    71    80   0.56750  1.0 1.0
   61    65    71    80  -0.07550 -1.0 2.0
   61    65    71    80   0.20000  1.0 3.0
   61    65    73    74  -0.11600  1.0 1.0
   61    65    73    74  -0.09450 -1.0 2.0
   61    65    73    74   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    71   0.15000  1.0 3.0
   62    61    65    73   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68  -0.11600  1.0 1.0
   65    61    67    68  -0.09450 -1.0 2.0
   65    61    67    68   0.21250  1.0 3.0
   65    71   -79    57   0.06250  1.0 1.0
   65    71   -79    57  -0.01100 -1.0 2.0
   65    71   -79    57   0.28050  1.0 3.0
   65    71    80    81   0.15000  1.0 3.0
   65    71    80    82   0.15000  1.0 3.0
   65    71    80    83   0.86500  1.0 1.0
   65    71    80    83  -0.17500 -1.0 2.0
   65    71    80    83   0.20800  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    79   0.23400  1.0 3.0
   66    65    71    80   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   71    65    73    74  -0.11600  1.0 1.0
   71    65    73    74  -0.09450 -1.0 2.0
   71    65    73    74   0.21250  1.0 3.0
   71    80    83    84  -0.11600  1.0 1.0
   71    80    83    84  -0.09450 -1.0 2.0
   71    80    83    84   0.21250  1.0 3.0
   72    71    79    57   0.37050  1.0 3.0
   72    71    80    81   0.15000  1.0 3.0
   72    71    80    82   0.15000  1.0 3.0
   72    71    80    83   0.23400  1.0 3.0
   79    57    59    60   0.23400  1.0 3.0
   79    57   -59    61   0.62750  1.0 1.0
   79    57   -59    61  -0.30950 -1.0 2.0
   79    57   -59    61   0.27300  1.0 3.0
   79    57    59    63   1.12100  1.0 1.0
   79    57    59    63  -0.16500 -1.0 2.0
   79    71    80    81   0.23400  1.0 3.0
   79    71    80    82   0.23400  1.0 3.0
   79    71    80    83   3.69350  1.0 1.0
   79    71    80    83  -1.82950 -1.0 2.0
   80    71    79    57   0.06250  1.0 1.0
   80    71    79    57  -0.01100 -1.0 2.0
   80    71    79    57   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    79   3.69350  1.0 1.0
   73    65    71    79  -1.82950 -1.0 2.0
   73    65    71    80   0.86500  1.0 1.0
   73    65    71    80  -0.17500 -1.0 2.0
   73    65    71    80   0.20800  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    71   0.86500  1.0 1.0
   67    61    65    71  -0.17500 -1.0 2.0
   67    61    65    71   0.20800  1.0 3.0
   67    61    65    73   3.75450  1.0 1.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    65  -0.27100  1.0 1.0
   63    59    61    65  -0.01700 -1.0 2.0
   63    59    61    65  -0.48600  1.0 3.0
   63    59    61    67   2.76900  1.0 1.0
   63    59    61    67  -0.24350 -1.0 2.0
   63    59    61    67  -0.78250  1.0 3.0
   63    69    75    76   0.00000  1.0 1.0
   63    69    75    77   0.00000  1.0 1.0
   63    69    75    78   0.00000  1.0 1.0
   64    63    69    70   2.45000 -1.0 2.0
   64    63    69    75   2.45000 -1.0 2.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.00000  1.0 1.0
   70    69    75    78   0.00000  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   0.86500  1.0 1.0
   50    44    48    52  -0.17500 -1.0 2.0
   50    44    48    52   0.20800  1.0 3.0
   50    44    48    54   3.69350  1.0 1.0
   50    44    48    54  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   64    69    63    59   1.00000 -1.0 2.0
   63    75    69    70  10.50000 -1.0 2.0
END
