* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    149    248     449
    1     0 S   NP   _N1_     1    27.98759    96.24316   -22.75947
    2     1 S   H    _HN1     2     1.02777   104.05727  -112.43541
    3     1 S   H    _H1_     3     1.02957    78.45349    -6.18364
    4     1 S   H    _H2_     4     1.02835    32.19818   146.22378
    5     1 S   CT   _CA1     5     1.50146   136.51649   101.35664
    6     5 S   HC   _HA1     6     1.09576   105.18901    82.89666
    7     5 S   CO3  _C1_     7     1.53769   112.32595   -37.24072
    8     7 S   O2Z  _O11     8     1.26367   114.99006   -44.26583
    9     7 S   O2Z  _O12     9     1.26231   114.92513   134.69385
   10     5 S   CT   _CB1    10     1.53084   107.40501  -159.23925
   11    10 S   HC   HB11    11     1.09830   109.27495   -50.43707
   12    10 S   HC   HB12    12     1.09814   110.45566    66.09854
   13    10 S   CT   _CG1    13     1.53037   112.70913  -171.49439
   14    13 S   HC   HG11    14     1.09591   110.52421   -65.54164
   15    13 S   HC   HG12    15     1.09660   109.88479    53.67352
   16    13 S   C    _CD1    16     1.51859   112.23954   174.00031
   17    16 S   O    _OE1    17     1.22768   123.25329     2.55229
   18    16 S   N    _N2_    18     1.38567   111.79550  -177.39030
   19    18 S   H    _HN2    19     1.01561   119.09765     3.71773
   20    18 S   CT1  _CA2    20     1.45781   122.77376   177.42200
   21    20 S   HC   _HA2    21     1.09755   108.84561    25.84325
   22    20 S   C    _C2_    22     1.52994   107.30714   -90.94650
   23    22 S   O    _O2_    23     1.22956   123.17759   -24.68492
   24    20 S   CT   _CB2    32     1.53298   112.39164   148.97494
   25    24 S   HC   HB21    33     1.09571   110.06442    52.24211
   26    24 S   HC   HB22    34     1.09258   109.61996   170.56672
   27    22 S   N    _N3_    24     1.38542   112.41096   157.93598
   28    27 S   H    _HN3    25     1.01656   120.29039    -2.30240
   29    24 S   S    _SG2    35     1.83108   110.75493   -67.75865
   30    27 S   CT   _CA3    26     1.45331   122.60935   178.33211
   31    30 S   HC   HA31    27     1.09564   107.93431   -53.35545
   32    30 S   HC   HA32    28     1.09558   107.52345    63.02484
   33    29 S   CT   _C13    36     1.89598   102.96295  -158.50803
   34    30 S   CO3  _C3_    29     1.52910   114.23340  -175.28295
   35    34 S   O2Z  _O31    30     1.26347   116.05010     1.20285
   36    34 S   O2Z  _O32    31     1.26432   114.41789  -178.84733
   37    33 S   CO4  _C14    37     1.51987   106.50605   -34.38353
   38    37 S   O    _O33    38     1.22296   126.24785   -64.28588
   39    33 S   CT   _C12    55     1.57254   114.45087  -156.14107
   40    39 S   OM   _O35    56     1.32100   114.90785    14.61914
   41    39 S   HC   _H7_    57     1.09381   106.17446   144.54612
   42    37 S   OS   _O34    39     1.36341   110.41783   112.58482
   43    42 S   CT   _C6_    40     1.43684   111.43624    20.08639
   44    43 S   HC   _H3_    41     1.09602   106.58382  -138.29650
   45    43 S   CT   _C7_    42     1.54108   106.80152   106.48993
   46    45 S   HC   _H4_    43     1.09472   110.80528    65.92198
   47    45 S   CT   _C8_    44     1.52014   115.17749  -164.79945
   48    47 S   HC   _H5_    45     1.10547   106.66074   178.08654
   49    47 S   CT   _C9_    46     1.53573    96.83498    69.37322
   50    49 S   HC   _H6_    47     1.09548   110.18182   163.92041
   51    47 S   CT   _C16    65     1.54042   120.05936   -63.97975
   52    49 S   CO4  _C15    48     1.50859    96.48449    50.65184
   53    52 S   O    _O37    49     1.21929   126.89740   143.01425
   54    49 S   CT   _C10    51     1.55467   116.25673   -66.99633
   55    51 S   CT   _C17    66     1.53652   109.97503   -63.16486
   56    55 S   HC   _H14    67     1.09644   110.90061  -178.54640
   57    55 S   HC   _H15    68     1.09557   111.10352    63.82861
   58    55 S   HC   _H16    69     1.09490   111.77889   -57.74636
   59    51 S   CT   _C18    70     1.53388   110.71600   176.08098
   60    59 S   HC   _H17    71     1.09635   110.91597   177.30427
   61    59 S   HC   _H18    72     1.09457   111.36930   -64.96656
   62    59 S   HC   _H19    73     1.09493   111.62658    56.57331
   63    51 S   OH   _O39    74     1.41352   112.01122    55.26316
   64    63 S   HO   _H20    75     0.97242   108.74266   177.22724
   65    45 S   OS   _O38    50     1.44961   109.65741   -51.62249
   66    54 S   CT   _C11    52     1.54076   113.80863   159.69371
   67    66 S   HC   _H11    53     1.10174   109.24858   147.04771
   68    66 S   HC   _H12    54     1.09802   111.78483    30.43166
   69    33 S   CT   _C5_    58     1.58449   116.55983    80.47698
   70    54 S   OH   _O36    63     1.43562   105.26464   -84.47776
   71    70 S   HO   _H13    64     0.97262   108.06258   -65.49127
   72    69 S   CT   _C4_    59     1.55286   112.08466     0.51014
   73    72 S   HC   _H8_    60     1.09579   111.52561    58.36913
   74    72 S   HC   _H9_    61     1.09295   112.34243   -63.91277
   75    72 S   HC   _H10    62     1.08981   112.89257   177.39714
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  20   2   1   1  12   4  12   6   5   9  17   7  15   7  21   9
  16   8  13   6   2  11   9   4   3   2   5   3   2   1   1   1
   1   6   3   2   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    69    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    54    66    39    40    41    69    72  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    49    54    66    67    68    39    40    41    69    72    73    74    75    70  
   35    36  
   36  
    0  
   38    42    43    44    45    54    66    39    40    41    69    72  
   42    43    39    69  
   40    41    69    72    70    42    43    49    54    66    67    68  
   41    69    54    66    67    68  
   69    54    66    67    68  
   43    44    45    46    47    65    54    69    72  
   44    45    46    47    48    49    52    65    54    66    69    72    73    74    75    70    51  
   45    46    47    65    54    69    72  
   46    47    48    49    50    52    53    65    54    69    72    51    55    59    63  
   47    48    49    52    65    69    51  
   48    49    50    52    53    65    54    66    69    70    51    55    56    57    58    59    60    61    62    63    64  
   49    50    52    65    54    51    55    59    63  
   50    52    53    65    54    66    67    68    69    72    70    71    51    55    59    63  
   52    53    65    54    66    69    70    51  
   55    56    57    58    59    60    61    62    63    64    52    54    65  
   53    65    54    66    69    70  
   65    54  
   66    67    68    69    72    73    74    75    70    71    65  
   56    57    58    59    60    61    62    63    64  
   57    58    59    63  
   58    59    63  
   59    63  
   60    61    62    63    64  
   61    62    63  
   62    63  
   63  
   64  
    0  
   69  
   67    68    69    72    70    71  
   68    69    70  
   69    70  
   72    73    74    75    70    71  
   71    72  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    69   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    69   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    65   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    52   317.000  1.522
   49    54   268.000  1.529
   52    53   570.000  1.229
   52    65   214.000  1.327
   54    66   268.000  1.529
   54    69   268.000  1.529
   54    70   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    39   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   70    71   553.000  0.945
   51    55   268.000  1.529
   51    59   268.000  1.529
   51    63   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    69    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    39    66    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    69    43    58.35000  112.70000
   33    69    54    58.35000  112.70000
   33    69    72    58.35000  112.70000
   37    42    43    83.00000  116.90000
   42    37    38    83.00000  123.40000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    69    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    45    65    50.00000  109.50000
   43    69    54    58.35000  112.70000
   43    69    72    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    51    58.35000  112.70000
   45    65    52    83.00000  116.90000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    63.00000  111.10000
   47    49    54    58.35000  112.70000
   47    51    55    58.35000  112.70000
   47    51    59    58.35000  112.70000
   47    51    63    50.00000  109.50000
   49    47    48    37.50000  110.70000
   49    52    53    80.00000  120.40000
   49    52    65    81.00000  111.40000
   49    54    66    58.35000  112.70000
   49    54    69    58.35000  112.70000
   49    54    70    50.00000  109.50000
   52    49    50    35.00000  109.50000
   65    45    46    35.00000  109.50000
   65    45    47    50.00000  109.50000
   65    52    53    83.00000  123.40000
   54    49    50    37.50000  110.70000
   54    49    52    63.00000  111.10000
   54    66    67    37.50000  110.70000
   54    66    68    37.50000  110.70000
   54    66    39    58.35000  112.70000
   54    69    72    58.35000  112.70000
   54    70    71    55.00000  108.50000
   66    39    40    50.00000  109.50000
   66    39    41    37.50000  110.70000
   68    66    67    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    66    67    37.50000  110.70000
   39    66    68    37.50000  110.70000
   41    39    40    45.00000  125.66300
   69    33    37    63.00000  111.10000
   69    33    39    58.35000  112.70000
   69    43    44    37.50000  110.70000
   69    43    45    58.35000  112.70000
   69    54    66    58.35000  112.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   70    54    66    50.00000  109.50000
   70    54    69    50.00000  109.50000
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   51    63    64    55.00000  108.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    51    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    51    55    50.00000  109.50000
   63    51    59    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    69   0.01700  1.0 1.0
   24    29    33    69  -0.23550 -1.0 2.0
   24    29    33    69   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  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   0.15000  1.0 3.0
   29    33    69    43   0.44750  1.0 1.0
   29    33    69    43  -0.17800 -1.0 2.0
   29    33    69    43   0.20200  1.0 3.0
   29    33    69    54   0.44750  1.0 1.0
   29    33    69    54  -0.17800 -1.0 2.0
   29    33    69    54   0.20200  1.0 3.0
   29    33    69    72   0.44750  1.0 1.0
   29    33    69    72  -0.17800 -1.0 2.0
   29    33    69    72   0.20200  1.0 3.0
   33    37   -42    43   1.63150  1.0 1.0
   33    37   -42    43   2.92000 -1.0 2.0
   33    69    72    73   0.15000  1.0 3.0
   33    69    72    74   0.15000  1.0 3.0
   33    69    72    75   0.15000  1.0 3.0
   37    33    39    66  -0.95700  1.0 1.0
   37    33    39    66  -0.18200 -1.0 2.0
   37    33    39    66   0.29450  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33   -69    43  -0.95700  1.0 1.0
   37    33   -69    43  -0.18200 -1.0 2.0
   37    33   -69    43   0.29450  1.0 3.0
   37    33    69    54  -0.95700  1.0 1.0
   37    33    69    54  -0.18200 -1.0 2.0
   37    33    69    54   0.29450  1.0 3.0
   37    33    69    72  -0.95700  1.0 1.0
   37    33    69    72  -0.18200 -1.0 2.0
   37    33    69    72   0.29450  1.0 3.0
   37    42    43    44   0.08050  1.0 3.0
   37    42    43    45  -0.25900  1.0 1.0
   37    42    43    45  -0.47000 -1.0 2.0
   37    42    43    45   0.11750  1.0 3.0
   37    42   -43    69  -0.25900  1.0 1.0
   37    42   -43    69  -0.47000 -1.0 2.0
   37    42   -43    69   0.11750  1.0 3.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.62750  1.0 1.0
   42    43    45    47  -0.30950 -1.0 2.0
   42    43    45    47   0.27300  1.0 3.0
   42    43    45    65   1.11900  1.0 1.0
   42    43    45    65  -1.16350 -1.0 2.0
   42    43    45    65  -0.34150  1.0 3.0
   42    43   -69    33   0.62750  1.0 1.0
   42    43   -69    33  -0.30950 -1.0 2.0
   42    43   -69    33   0.27300  1.0 3.0
   42    43    69    54   0.62750  1.0 1.0
   42    43    69    54  -0.30950 -1.0 2.0
   42    43    69    54   0.27300  1.0 3.0
   42    43    69    72   0.62750  1.0 1.0
   42    43    69    72  -0.30950 -1.0 2.0
   42    43    69    72   0.27300  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.56750  1.0 1.0
   43    45    47    49  -0.07550 -1.0 2.0
   43    45    47    49   0.20000  1.0 3.0
   43    45    47    51   0.56750  1.0 1.0
   43    45    47    51  -0.07550 -1.0 2.0
   43    45    47    51   0.20000  1.0 3.0
   43    45    65    52  -0.25900  1.0 1.0
   43    45    65    52  -0.47000 -1.0 2.0
   43    45    65    52   0.11750  1.0 3.0
   43    69    72    73   0.15000  1.0 3.0
   43    69    72    74   0.15000  1.0 3.0
   43    69    72    75   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    65   0.23400  1.0 3.0
   44    43    69    33   0.15000  1.0 3.0
   44    43    69    54   0.15000  1.0 3.0
   44    43    69    72   0.15000  1.0 3.0
   45    43    69    33   0.56750  1.0 1.0
   45    43    69    33  -0.07550 -1.0 2.0
   45    43    69    33   0.20000  1.0 3.0
   45    43    69    54   0.56750  1.0 1.0
   45    43    69    54  -0.07550 -1.0 2.0
   45    43    69    54   0.20000  1.0 3.0
   45    43    69    72   0.56750  1.0 1.0
   45    43    69    72  -0.07550 -1.0 2.0
   45    43    69    72   0.20000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47   -49    52  -0.95700  1.0 1.0
   45    47   -49    52  -0.18200 -1.0 2.0
   45    47   -49    52   0.29450  1.0 3.0
   45    47   -49    54   0.56750  1.0 1.0
   45    47   -49    54  -0.07550 -1.0 2.0
   45    47   -49    54   0.20000  1.0 3.0
   45    47    51    55   0.56750  1.0 1.0
   45    47    51    55  -0.07550 -1.0 2.0
   45    47    51    55   0.20000  1.0 3.0
   45    47    51    59   0.56750  1.0 1.0
   45    47    51    59  -0.07550 -1.0 2.0
   45    47    51    59   0.20000  1.0 3.0
   45    47    51    63   0.86500  1.0 1.0
   45    47    51    63  -0.17500 -1.0 2.0
   45    47    51    63   0.20800  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    65    52   0.08050  1.0 3.0
   47    45   -65    52  -0.25900  1.0 1.0
   47    45   -65    52  -0.47000 -1.0 2.0
   47    45   -65    52   0.11750  1.0 3.0
   47    49    52    53   0.30150 -1.0 2.0
   47    49   -52    65   0.36750  1.0 3.0
   47    49    54    66   0.56750  1.0 1.0
   47    49    54    66  -0.07550 -1.0 2.0
   47    49    54    66   0.20000  1.0 3.0
   47    49    54    69   0.56750  1.0 1.0
   47    49    54    69  -0.07550 -1.0 2.0
   47    49    54    69   0.20000  1.0 3.0
   47    49    54    70   0.86500  1.0 1.0
   47    49    54    70  -0.17500 -1.0 2.0
   47    49    54    70   0.20800  1.0 3.0
   47    51    55    56   0.15000  1.0 3.0
   47    51    55    57   0.15000  1.0 3.0
   47    51    55    58   0.15000  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    61   0.15000  1.0 3.0
   47    51    59    62   0.15000  1.0 3.0
   47    51    63    64  -0.11600  1.0 1.0
   47    51    63    64  -0.09450 -1.0 2.0
   47    51    63    64   0.21250  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52  -0.11250  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    51    55   0.15000  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   48    47    51    63   0.23400  1.0 3.0
   49    47    51    55   0.56750  1.0 1.0
   49    47    51    55  -0.07550 -1.0 2.0
   49    47    51    55   0.20000  1.0 3.0
   49    47    51    59   0.56750  1.0 1.0
   49    47    51    59  -0.07550 -1.0 2.0
   49    47    51    59   0.20000  1.0 3.0
   49    47    51    63   0.86500  1.0 1.0
   49    47    51    63  -0.17500 -1.0 2.0
   49    47    51    63   0.20800  1.0 3.0
   49    52   -65    45   1.63150  1.0 1.0
   49    52   -65    45   2.92000 -1.0 2.0
   49    54    66    67   0.15000  1.0 3.0
   49    54    66    68   0.15000  1.0 3.0
   49    54    66    39   0.56750  1.0 1.0
   49    54    66    39  -0.07550 -1.0 2.0
   49    54    66    39   0.20000  1.0 3.0
   49    54    69    33   0.56750  1.0 1.0
   49    54    69    33  -0.07550 -1.0 2.0
   49    54    69    33   0.20000  1.0 3.0
   49    54   -69    43   0.56750  1.0 1.0
   49    54   -69    43  -0.07550 -1.0 2.0
   49    54   -69    43   0.20000  1.0 3.0
   49    54    69    72   0.56750  1.0 1.0
   49    54    69    72  -0.07550 -1.0 2.0
   49    54    69    72   0.20000  1.0 3.0
   49    54    70    71  -0.11600  1.0 1.0
   49    54    70    71  -0.09450 -1.0 2.0
   49    54    70    71   0.21250  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    65   0.00000  1.0 1.0
   50    49    54    66   0.15000  1.0 3.0
   50    49    54    69   0.15000  1.0 3.0
   50    49    54    70   0.23400  1.0 3.0
   52    49    54    66  -0.95700  1.0 1.0
   52    49    54    66  -0.18200 -1.0 2.0
   52    49    54    66   0.29450  1.0 3.0
   52    49    54    69  -0.95700  1.0 1.0
   52    49    54    69  -0.18200 -1.0 2.0
   52    49    54    69   0.29450  1.0 3.0
   52    49    54    70  -0.09450  1.0 1.0
   52    49    54    70  -1.12950 -1.0 2.0
   52    49    54    70   0.54000  1.0 3.0
   53    52    65    45   3.00000 -1.0 2.0
   65    45    47    48   0.23400  1.0 3.0
   65    45   -47    49   0.62750  1.0 1.0
   65    45   -47    49  -0.30950 -1.0 2.0
   65    45   -47    49   0.27300  1.0 3.0
   65    45    47    51   0.62750  1.0 1.0
   65    45    47    51  -0.30950 -1.0 2.0
   65    45    47    51   0.27300  1.0 3.0
   54    49    52    53   0.30150 -1.0 2.0
   54    49    52    65   0.36750  1.0 3.0
   54    66   -39    33   0.56750  1.0 1.0
   54    66   -39    33  -0.07550 -1.0 2.0
   54    66   -39    33   0.20000  1.0 3.0
   54    66    39    40   0.62750  1.0 1.0
   54    66    39    40  -0.30950 -1.0 2.0
   54    66    39    40   0.27300  1.0 3.0
   54    66    39    41   0.15000  1.0 3.0
   54    69    72    73   0.15000  1.0 3.0
   54    69    72    74   0.15000  1.0 3.0
   54    69    72    75   0.15000  1.0 3.0
   66    54   -69    33   0.56750  1.0 1.0
   66    54   -69    33  -0.07550 -1.0 2.0
   66    54   -69    33   0.20000  1.0 3.0
   66    54    69    43   0.56750  1.0 1.0
   66    54    69    43  -0.07550 -1.0 2.0
   66    54    69    43   0.20000  1.0 3.0
   66    54    69    72   0.56750  1.0 1.0
   66    54    69    72  -0.07550 -1.0 2.0
   66    54    69    72   0.20000  1.0 3.0
   66    54    70    71  -0.11600  1.0 1.0
   66    54    70    71  -0.09450 -1.0 2.0
   66    54    70    71   0.21250  1.0 3.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.23400  1.0 3.0
   67    66    39    41   0.15000  1.0 3.0
   68    66    39    33   0.15000  1.0 3.0
   68    66    39    40   0.23400  1.0 3.0
   68    66    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    69    43   0.56750  1.0 1.0
   39    33    69    43  -0.07550 -1.0 2.0
   39    33    69    43   0.20000  1.0 3.0
   39    33   -69    54   0.56750  1.0 1.0
   39    33   -69    54  -0.07550 -1.0 2.0
   39    33   -69    54   0.20000  1.0 3.0
   39    33    69    72   0.56750  1.0 1.0
   39    33    69    72  -0.07550 -1.0 2.0
   39    33    69    72   0.20000  1.0 3.0
   69    33    37    38   0.30150 -1.0 2.0
   69    33   -37    42   0.36750  1.0 3.0
   69    33   -39    66   0.56750  1.0 1.0
   69    33   -39    66  -0.07550 -1.0 2.0
   69    33   -39    66   0.20000  1.0 3.0
   69    33    39    40   0.62750  1.0 1.0
   69    33    39    40  -0.30950 -1.0 2.0
   69    33    39    40   0.27300  1.0 3.0
   69    33    39    41   0.15000  1.0 3.0
   69    43    45    46   0.15000  1.0 3.0
   69    43   -45    47   0.56750  1.0 1.0
   69    43   -45    47  -0.07550 -1.0 2.0
   69    43   -45    47   0.20000  1.0 3.0
   69    43    45    65   0.62750  1.0 1.0
   69    43    45    65  -0.30950 -1.0 2.0
   69    43    45    65   0.27300  1.0 3.0
   69    54    66    67   0.15000  1.0 3.0
   69    54    66    68   0.15000  1.0 3.0
   69    54   -66    39   0.56750  1.0 1.0
   69    54   -66    39  -0.07550 -1.0 2.0
   69    54   -66    39   0.20000  1.0 3.0
   69    54    70    71  -0.11600  1.0 1.0
   69    54    70    71  -0.09450 -1.0 2.0
   69    54    70    71   0.21250  1.0 3.0
   70    54    66    67   0.23400  1.0 3.0
   70    54    66    68   0.23400  1.0 3.0
   70    54    66    39   0.86500  1.0 1.0
   70    54    66    39  -0.17500 -1.0 2.0
   70    54    66    39   0.20800  1.0 3.0
   70    54    69    33   0.86500  1.0 1.0
   70    54    69    33  -0.17500 -1.0 2.0
   70    54    69    33   0.20800  1.0 3.0
   70    54    69    43   0.86500  1.0 1.0
   70    54    69    43  -0.17500 -1.0 2.0
   70    54    69    43   0.20800  1.0 3.0
   70    54    69    72   0.86500  1.0 1.0
   70    54    69    72  -0.17500 -1.0 2.0
   70    54    69    72   0.20800  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    52  -0.95700  1.0 1.0
   51    47    49    52  -0.18200 -1.0 2.0
   51    47    49    52   0.29450  1.0 3.0
   51    47    49    54   0.56750  1.0 1.0
   51    47    49    54  -0.07550 -1.0 2.0
   51    47    49    54   0.20000  1.0 3.0
   55    51    59    60   0.15000  1.0 3.0
   55    51    59    61   0.15000  1.0 3.0
   55    51    59    62   0.15000  1.0 3.0
   55    51    63    64  -0.11600  1.0 1.0
   55    51    63    64  -0.09450 -1.0 2.0
   55    51    63    64   0.21250  1.0 3.0
   59    51    55    56   0.15000  1.0 3.0
   59    51    55    57   0.15000  1.0 3.0
   59    51    55    58   0.15000  1.0 3.0
   59    51    63    64  -0.11600  1.0 1.0
   59    51    63    64  -0.09450 -1.0 2.0
   59    51    63    64   0.21250  1.0 3.0
   63    51    55    56   0.23400  1.0 3.0
   63    51    55    57   0.23400  1.0 3.0
   63    51    55    58   0.23400  1.0 3.0
   63    51    59    60   0.23400  1.0 3.0
   63    51    59    61   0.23400  1.0 3.0
   63    51    59    62   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   49    65    52    53  10.50000 -1.0 2.0
END
