* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    240     445
    1     0 S   NP   _N1_     1    28.73149    95.59496   -23.76147
    2     1 S   H    _HN1     2     1.02785   106.65358   -94.65669
    3     1 S   H    _H1_     3     1.02949    77.38756    11.00648
    4     1 S   H    _H2_     4     1.02828    32.17412   168.07218
    5     1 S   CT   _CA1     5     1.50111   134.57988   117.33314
    6     5 S   HC   _HA1     6     1.09573   105.19803    85.41062
    7     5 S   CO3  _C1_     7     1.53786   112.44937   -34.82774
    8     7 S   O2Z  _O11     8     1.26371   115.00772   -42.92993
    9     7 S   O2Z  _O12     9     1.26239   114.94371   136.19386
   10     5 S   CT   _CB1    10     1.53078   107.41928  -156.61420
   11    10 S   HC   HB11    11     1.09832   109.37064   -49.79077
   12    10 S   HC   HB12    12     1.09812   110.45102    66.81571
   13    10 S   CT   _CG1    13     1.52988   112.60401  -170.77039
   14    13 S   HC   HG11    14     1.09583   110.62593   -65.57528
   15    13 S   HC   HG12    15     1.09670   109.79330    53.65687
   16    13 S   C    _CD1    16     1.51800   112.22322   174.10628
   17    16 S   O    _OE1    17     1.22731   123.28706     6.71522
   18    16 S   N    _N2_    18     1.38649   111.66658  -173.39218
   19    18 S   H    _HN2    19     1.01583   118.94923     1.67911
   20    18 S   CT1  _CA2    20     1.46197   123.38948   177.54170
   21    20 S   HC   _HA2    21     1.09736   109.35699     2.21708
   22    20 S   C    _C2_    22     1.53548   108.68607  -113.27148
   23    22 S   O    _O2_    23     1.23060   122.26297  -148.63404
   24    20 S   CT   _CB2    32     1.53317   111.54588   124.21955
   25    24 S   HC   HB21    33     1.09518   109.94394    56.26471
   26    24 S   HC   HB22    34     1.09514   110.20694   175.32261
   27    22 S   N    _N3_    24     1.38324   113.72253    38.85130
   28    27 S   H    _HN3    25     1.01585   119.57676    -3.36133
   29    24 S   S    _SG2    35     1.82791   111.46469   -64.93205
   30    27 S   CT   _CA3    26     1.45283   123.21555   177.11500
   31    30 S   HC   HA31    27     1.09549   107.51714   -64.50537
   32    30 S   HC   HA32    28     1.09557   107.97878    51.93226
   33    29 S   CT   _C12    36     1.83639    99.50837  -177.44917
   34    33 S   HC   _H8_    37     1.09682   105.80071    51.71856
   35    30 S   CO3  _C3_    29     1.52958   114.07908   173.93573
   36    35 S   O2Z  _O31    30     1.26376   116.07229    -0.31404
   37    35 S   O2Z  _O32    31     1.26428   114.41140   179.74056
   38    33 S   CT   _C11    38     1.56130   116.22588   171.69733
   39    38 S   HC   _H7_    39     1.10098   102.03413  -149.45742
   40    38 S   CT   _C5_    40     1.53930   118.56141   -34.87917
   41    40 S   HC   _H3_    41     1.09627   109.81241    56.44385
   42    38 S   CT   _C10    58     1.56336   105.78379    99.76449
   43    40 S   CT   _C6_    42     1.53764   113.29967   175.11360
   44    43 S   HC   _H14    43     1.09946   109.21823   166.62844
   45    43 S   HC   _H15    44     1.09701   109.43930   -81.53529
   46    42 S   CT   _C14    59     1.55398    98.44777    40.84009
   47    46 S   HC   _H10    60     1.09765   110.75935    75.11012
   48    42 S   CT   _C15    67     1.54937   113.24849   -75.59541
   49    48 S   HC   _H18    68     1.09643   110.79399  -179.75055
   50    48 S   HC   _H19    69     1.09201   113.35672    60.50808
   51    48 S   HC   _H20    70     1.09465   111.32248   -60.52958
   52    40 S   CT   _C4_    73     1.53782   110.73231   -61.78075
   53    52 S   HC   _H11    74     1.09509   111.41366   -61.34706
   54    52 S   HC   _H12    75     1.09548   110.70703   178.64520
   55    52 S   HC   _H13    76     1.09334   111.88511    59.26887
   56    43 S   CT   _C7_    45     1.53440   116.69072    43.45801
   57    56 S   HC   _H4_    46     1.09737   109.53437    63.00026
   58    33 S   CT   _C13    61     1.54224   111.08433   -68.92759
   59    58 S   HC   _H9_    62     1.09584   113.13140   -10.36156
   60    46 S   OH   _O33    65     1.41871   113.18276  -164.25342
   61    60 S   HO   _H16    66     0.97296   107.42693   172.31362
   62    56 S   CT   _C8_    47     1.53899   118.01760   -63.99806
   63    62 S   HC   _H5_    48     1.09671   110.70975   105.73286
   64    58 S   OH   _O34    63     1.42398   111.31612   109.18030
   65    64 S   HO   _H17    64     0.97250   108.35649    55.59376
   66    62 S   CM   _C16    49     1.49492   100.09690  -140.13745
   67    62 S   CT   _C9_    56     1.54472   113.76410   -17.92811
   68    67 S   HC   _H6_    57     1.09685   107.57869   -48.46578
   69    66 S   CO4  _C18    50     1.47036   110.03724    19.31548
   70    69 S   O    _O36    51     1.21725   127.18178   169.95976
   71    66 S   CM   _C17    53     1.33650   128.45391  -156.57695
   72    71 S   HC   _H22    54     1.08472   120.89929    -2.08300
   73    71 S   HC   _H23    55     1.08523   121.77806   177.86247
   74    67 S   OH   _O35    71     1.43065   110.55314  -161.39256
   75    74 S   HO   _H21    72     0.97132   108.56174   -58.71141
   76    56 S   OS   _O37    52     1.44874   105.77839   177.34362
  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
  17   8   2   1   1  26   9  17   9  21  14   6   5  15   7   9
   3   2   1   4   2   1   1  11   6   6   3   3   1  12   7   1
   1   9   6   2   5   2   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    58    59    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    67    42    46    47    58    59    64    65    60    48    52  
   38    39    40    42    46    58    59    64  
   36    37  
   37  
    0  
   39    40    41    43    44    45    56    62    67    68    42    46    47    58    59    64    60    48    49    50    51    74    52    53    54    55  
   40    41    43    67    42    46    58    48    52  
   41    43    44    45    56    57    62    76    67    42    46    58    48    52    53    54    55  
   43    44    45    56    42    52    53    54    55  
   46    47    58    59    64    60    61    48    49    50    51    74    75    52    43    56    62    63    66    67    68  
   44    45    56    57    62    63    66    69    76    67    52    53    54    55  
   45    56    57    62    76    52  
   56    57    62    76    52  
   47    58    59    64    65    60    61    48    49    50    51    74    62    67    68  
   58    59    64    60    61    48    67  
   49    50    51    74    58    60    62    67    68  
   50    51    67  
   51    67  
   67  
   53    54    55    56  
   54    55  
   55  
    0  
   57    62    63    66    69    70    76    71    67    68    74  
   62    63    66    69    76    67  
   59    64    65    60    61    67  
   64    65    60  
   61    64    67  
    0  
   63    66    69    70    76    71    72    73    67    68    74    75  
   66    69    76    71    67    68    74  
   65  
    0  
   69    70    76    71    72    73    67    68    74  
   68    74    75    69    71    76  
   74    75  
   70    76    71    72    73  
   76    71  
   72    73    76  
   73  
    0  
   75  
    0  
    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  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   268.000  1.529
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    52   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    56   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    76   320.000  1.410
   62    63   340.000  1.090
   62    66   317.000  1.510
   62    67   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    76   214.000  1.327
   71    72   340.000  1.080
   71    73   340.000  1.080
   67    68   340.000  1.090
   67    42   268.000  1.529
   67    74   320.000  1.410
   42    46   268.000  1.529
   42    48   268.000  1.529
   46    47   340.000  1.090
   46    58   268.000  1.529
   46    60   320.000  1.410
   58    59   340.000  1.090
   58    64   320.000  1.410
   64    65   553.000  0.945
   60    61   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   74    75   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    58.35000  112.70000
   33    58    46    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    52    58.35000  112.70000
   38    42    67    58.35000  112.70000
   38    42    46    58.35000  112.70000
   38    42    48    58.35000  112.70000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    56    58.35000  112.70000
   40    52    53    37.50000  110.70000
   40    52    54    37.50000  110.70000
   40    52    55    37.50000  110.70000
   43    40    41    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    62    58.35000  112.70000
   43    56    76    50.00000  109.50000
   45    43    44    33.00000  107.80000
   56    43    44    37.50000  110.70000
   56    43    45    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    66    70.00000  112.02700
   56    62    67    58.35000  112.70000
   56    76    69    83.00000  116.90000
   62    56    57    37.50000  110.70000
   62    66    69    65.00000  116.34900
   62    66    71    70.00000  124.00000
   62    67    68    37.50000  110.70000
   62    67    42    58.35000  112.70000
   62    67    74    50.00000  109.50000
   66    62    63    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    76    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   76    56    57    35.00000  109.50000
   76    56    62    50.00000  109.50000
   76    69    70    83.00000  123.40000
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   67    62    63    37.50000  110.70000
   67    62    66    70.00000  112.02700
   67    42    46    58.35000  112.70000
   67    42    48    58.35000  112.70000
   67    74    75    55.00000  108.50000
   42    38    39    37.50000  110.70000
   42    38    40    58.35000  112.70000
   42    67    68    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    58    58.35000  112.70000
   42    46    60    50.00000  109.50000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   46    58    59    37.50000  110.70000
   46    58    64    50.00000  109.50000
   46    60    61    55.00000  108.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    46    47    37.50000  110.70000
   58    64    65    55.00000  108.50000
   64    58    59    35.00000  109.50000
   60    46    47    35.00000  109.50000
   60    46    58    50.00000  109.50000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    42    50.00000  109.50000
   52    40    41    37.50000  110.70000
   52    40    43    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
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    58    46   0.44750  1.0 1.0
   29    33    58    46  -0.17800 -1.0 2.0
   29    33    58    46   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    64   0.56750  1.0 1.0
   29    33    58    64  -0.07550 -1.0 2.0
   29    33    58    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    52   0.56750  1.0 1.0
   33    38    40    52  -0.07550 -1.0 2.0
   33    38    40    52   0.20000  1.0 3.0
   33    38    42    67   0.56750  1.0 1.0
   33    38    42    67  -0.07550 -1.0 2.0
   33    38    42    67   0.20000  1.0 3.0
   33    38   -42    46   0.56750  1.0 1.0
   33    38   -42    46  -0.07550 -1.0 2.0
   33    38   -42    46   0.20000  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   33    58    64    65  -0.11600  1.0 1.0
   33    58    64    65  -0.09450 -1.0 2.0
   33    58    64    65   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   0.15000  1.0 3.0
   34    33    58    46   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    64   0.23400  1.0 3.0
   38    33   -58    46   0.56750  1.0 1.0
   38    33   -58    46  -0.07550 -1.0 2.0
   38    33   -58    46   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    64   0.86500  1.0 1.0
   38    33    58    64  -0.17500 -1.0 2.0
   38    33    58    64   0.20800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40    43    56   0.56750  1.0 1.0
   38    40    43    56  -0.07550 -1.0 2.0
   38    40    43    56   0.20000  1.0 3.0
   38    40    52    53   0.15000  1.0 3.0
   38    40    52    54   0.15000  1.0 3.0
   38    40    52    55   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42   -46    58   0.56750  1.0 1.0
   38    42   -46    58  -0.07550 -1.0 2.0
   38    42   -46    58   0.20000  1.0 3.0
   38    42    46    60   0.86500  1.0 1.0
   38    42    46    60  -0.17500 -1.0 2.0
   38    42    46    60   0.20800  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    50   0.15000  1.0 3.0
   38    42    48    51   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    52   0.15000  1.0 3.0
   39    38    42    67   0.15000  1.0 3.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   40    38    42    67   0.56750  1.0 1.0
   40    38    42    67  -0.07550 -1.0 2.0
   40    38    42    67   0.20000  1.0 3.0
   40    38    42    46   0.56750  1.0 1.0
   40    38    42    46  -0.07550 -1.0 2.0
   40    38    42    46   0.20000  1.0 3.0
   40    38    42    48   0.56750  1.0 1.0
   40    38    42    48  -0.07550 -1.0 2.0
   40    38    42    48   0.20000  1.0 3.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    62   0.56750  1.0 1.0
   40    43    56    62  -0.07550 -1.0 2.0
   40    43    56    62   0.20000  1.0 3.0
   40    43    56    76   0.62750  1.0 1.0
   40    43    56    76  -0.30950 -1.0 2.0
   40    43    56    76   0.27300  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    56   0.15000  1.0 3.0
   41    40    52    53   0.15000  1.0 3.0
   41    40    52    54   0.15000  1.0 3.0
   41    40    52    55   0.15000  1.0 3.0
   43    40    52    53   0.15000  1.0 3.0
   43    40    52    54   0.15000  1.0 3.0
   43    40    52    55   0.15000  1.0 3.0
   43    56    62    63   0.15000  1.0 3.0
   43    56    62    66   0.34400  1.0 1.0
   43    56    62    66   0.09450 -1.0 2.0
   43    56    62    66   0.11100  1.0 3.0
   43    56    62    67   0.56750  1.0 1.0
   43    56    62    67  -0.07550 -1.0 2.0
   43    56    62    67   0.20000  1.0 3.0
   43    56    76    69  -0.25900  1.0 1.0
   43    56    76    69  -0.47000 -1.0 2.0
   43    56    76    69   0.11750  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    62   0.15000  1.0 3.0
   44    43    56    76   0.23400  1.0 3.0
   45    43    56    57   0.15000  1.0 3.0
   45    43    56    62   0.15000  1.0 3.0
   45    43    56    76   0.23400  1.0 3.0
   56    62   -66    69   0.09700  1.0 1.0
   56    62   -66    69   0.15600 -1.0 2.0
   56    62   -66    69  -0.50800  1.0 3.0
   56    62    66    71   0.09850  1.0 1.0
   56    62    66    71   0.15250 -1.0 2.0
   56    62    66    71  -0.50650  1.0 3.0
   56    62    67    68   0.15000  1.0 3.0
   56    62    67    42   0.56750  1.0 1.0
   56    62    67    42  -0.07550 -1.0 2.0
   56    62    67    42   0.20000  1.0 3.0
   56    62    67    74   0.86500  1.0 1.0
   56    62    67    74  -0.17500 -1.0 2.0
   56    62    67    74   0.20800  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    66   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    76    69   0.08050  1.0 3.0
   62    56   -76    69  -0.25900  1.0 1.0
   62    56   -76    69  -0.47000 -1.0 2.0
   62    56   -76    69   0.11750  1.0 3.0
   62    66    69    70  -0.64400  1.0 1.0
   62    66    69    70   0.26850 -1.0 2.0
   62    66   -69    76  -0.15000  1.0 1.0
   62    66   -69    76   0.89550 -1.0 2.0
   62    66   -69    76  -0.06900  1.0 3.0
   62    66    71    72   7.00000 -1.0 2.0
   62    66    71    73   7.00000 -1.0 2.0
   62    67    42    38   0.56750  1.0 1.0
   62    67    42    38  -0.07550 -1.0 2.0
   62    67    42    38   0.20000  1.0 3.0
   62    67    42    46   0.56750  1.0 1.0
   62    67    42    46  -0.07550 -1.0 2.0
   62    67    42    46   0.20000  1.0 3.0
   62    67    42    48   0.56750  1.0 1.0
   62    67    42    48  -0.07550 -1.0 2.0
   62    67    42    48   0.20000  1.0 3.0
   62    67    74    75  -0.11600  1.0 1.0
   62    67    74    75  -0.09450 -1.0 2.0
   62    67    74    75   0.21250  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    66    71   0.00000  1.0 1.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    42   0.15000  1.0 3.0
   63    62    67    74   0.23400  1.0 3.0
   66    62    67    68   0.15000  1.0 3.0
   66    62    67    42   0.34400  1.0 1.0
   66    62    67    42   0.09450 -1.0 2.0
   66    62    67    42   0.11100  1.0 3.0
   66    62    67    74   1.05650  1.0 1.0
   66    62    67    74   0.15600 -1.0 2.0
   66    62    67    74   0.53150  1.0 3.0
   66    69   -76    56   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   70    69    76    56   3.00000 -1.0 2.0
   76    56    62    63   0.23400  1.0 3.0
   76    56   -62    66   0.61850  1.0 1.0
   76    56   -62    66  -0.22750 -1.0 2.0
   76    56   -62    66   0.15300  1.0 3.0
   76    56    62    67   0.62750  1.0 1.0
   76    56    62    67  -0.30950 -1.0 2.0
   76    56    62    67   0.27300  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    76  -0.56150  1.0 1.0
   71    66    69    76   2.19150 -1.0 2.0
   67    62    66    69   0.09700  1.0 1.0
   67    62    66    69   0.15600 -1.0 2.0
   67    62    66    69  -0.50800  1.0 3.0
   67    62    66    71   0.09850  1.0 1.0
   67    62    66    71   0.15250 -1.0 2.0
   67    62    66    71  -0.50650  1.0 3.0
   67    42    46    47   0.15000  1.0 3.0
   67    42    46    58   0.56750  1.0 1.0
   67    42    46    58  -0.07550 -1.0 2.0
   67    42    46    58   0.20000  1.0 3.0
   67    42    46    60   0.86500  1.0 1.0
   67    42    46    60  -0.17500 -1.0 2.0
   67    42    46    60   0.20800  1.0 3.0
   67    42    48    49   0.15000  1.0 3.0
   67    42    48    50   0.15000  1.0 3.0
   67    42    48    51   0.15000  1.0 3.0
   68    67    42    38   0.15000  1.0 3.0
   68    67    42    46   0.15000  1.0 3.0
   68    67    42    48   0.15000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    43   0.56750  1.0 1.0
   42    38    40    43  -0.07550 -1.0 2.0
   42    38    40    43   0.20000  1.0 3.0
   42    38    40    52   0.56750  1.0 1.0
   42    38    40    52  -0.07550 -1.0 2.0
   42    38    40    52   0.20000  1.0 3.0
   42    67    74    75  -0.11600  1.0 1.0
   42    67    74    75  -0.09450 -1.0 2.0
   42    67    74    75   0.21250  1.0 3.0
   42    46   -58    33   0.56750  1.0 1.0
   42    46   -58    33  -0.07550 -1.0 2.0
   42    46   -58    33   0.20000  1.0 3.0
   42    46    58    59   0.15000  1.0 3.0
   42    46    58    64   0.86500  1.0 1.0
   42    46    58    64  -0.17500 -1.0 2.0
   42    46    58    64   0.20800  1.0 3.0
   42    46    60    61  -0.11600  1.0 1.0
   42    46    60    61  -0.09450 -1.0 2.0
   42    46    60    61   0.21250  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   46    58    64    65  -0.11600  1.0 1.0
   46    58    64    65  -0.09450 -1.0 2.0
   46    58    64    65   0.21250  1.0 3.0
   47    46    58    33   0.15000  1.0 3.0
   47    46    58    59   0.15000  1.0 3.0
   47    46    58    64   0.23400  1.0 3.0
   47    46    60    61   0.19450  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.56750  1.0 1.0
   58    33    38    40  -0.07550 -1.0 2.0
   58    33    38    40   0.20000  1.0 3.0
   58    33   -38    42   0.56750  1.0 1.0
   58    33   -38    42  -0.07550 -1.0 2.0
   58    33   -38    42   0.20000  1.0 3.0
   58    46    60    61  -0.11600  1.0 1.0
   58    46    60    61  -0.09450 -1.0 2.0
   58    46    60    61   0.21250  1.0 3.0
   59    58    64    65   0.19450  1.0 3.0
   60    46    58    33   0.86500  1.0 1.0
   60    46    58    33  -0.17500 -1.0 2.0
   60    46    58    33   0.20800  1.0 3.0
   60    46    58    59   0.23400  1.0 3.0
   60    46    58    64   3.75450  1.0 1.0
   48    42    46    47   0.15000  1.0 3.0
   48    42    46    58   0.56750  1.0 1.0
   48    42    46    58  -0.07550 -1.0 2.0
   48    42    46    58   0.20000  1.0 3.0
   48    42    46    60   0.86500  1.0 1.0
   48    42    46    60  -0.17500 -1.0 2.0
   48    42    46    60   0.20800  1.0 3.0
   74    67    42    38   0.86500  1.0 1.0
   74    67    42    38  -0.17500 -1.0 2.0
   74    67    42    38   0.20800  1.0 3.0
   74    67    42    46   0.86500  1.0 1.0
   74    67    42    46  -0.17500 -1.0 2.0
   74    67    42    46   0.20800  1.0 3.0
   74    67    42    48   0.86500  1.0 1.0
   74    67    42    48  -0.17500 -1.0 2.0
   74    67    42    48   0.20800  1.0 3.0
   52    40    43    44   0.15000  1.0 3.0
   52    40    43    45   0.15000  1.0 3.0
   52    40    43    56   0.56750  1.0 1.0
   52    40    43    56  -0.07550 -1.0 2.0
   52    40    43    56   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   62    69    66    71   1.10000 -1.0 2.0
   66    76    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
END
