* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    143    202     409
    1     0 S   NP   _N1_     1    29.92408    94.01643   -26.35300
    2     1 S   H    _HN1     2     1.02787   119.22650  -115.75494
    3     1 S   H    _H1_     3     1.02951    89.26645    -5.02352
    4     1 S   H    _H2_     4     1.02840    18.33177  -170.85211
    5     1 S   CT   _CA1     5     1.50111   114.50347   107.19254
    6     5 S   HC   _HA1     6     1.09564   105.22769    78.66641
    7     5 S   CO3  _C1_     7     1.53787   112.42435   -41.69852
    8     7 S   O2Z  _O11     8     1.26376   114.97147   -42.45851
    9     7 S   O2Z  _O12     9     1.26224   114.94827   136.71970
   10     5 S   CT   _CB1    10     1.53069   107.46770  -163.21494
   11    10 S   HC   HB11    11     1.09837   109.51458   -48.68910
   12    10 S   HC   HB12    12     1.09800   110.36594    67.88615
   13    10 S   CT   _CG1    13     1.53049   112.63946  -169.59393
   14    13 S   HC   HG11    14     1.09573   110.70667   -63.86145
   15    13 S   HC   HG12    15     1.09646   109.80332    55.47891
   16    13 S   C    _CD1    16     1.51723   111.99819   176.17352
   17    16 S   O    _OE1    17     1.22782   123.10739     9.84425
   18    16 S   N    _N2_    18     1.38696   111.97584  -170.70830
   19    18 S   H    _HN2    19     1.01575   119.11663     3.03538
   20    18 S   CT1  _CA2    20     1.46059   123.21354  -179.56210
   21    20 S   HC   _HA2    21     1.09298   108.96327     7.21657
   22    20 S   C    _C2_    22     1.53415   108.99529  -107.14675
   23    22 S   O    _O2_    23     1.22995   122.38836  -141.12270
   24    20 S   CT   _CB2    32     1.53257   112.18250   128.93676
   25    24 S   HC   HB21    33     1.09662   109.50770    66.33623
   26    24 S   HC   HB22    34     1.09552   110.66673  -176.87463
   27    22 S   N    _N3_    24     1.38457   113.26403    46.77165
   28    27 S   H    _HN3    25     1.01535   119.26998    -7.39035
   29    24 S   S    _SG2    35     1.83315   115.29884   -53.13513
   30    27 S   CT   _CA3    26     1.45418   123.63297   176.00066
   31    30 S   HC   HA31    27     1.09522   109.09096   -30.79460
   32    30 S   HC   HA32    28     1.09509   107.31244    85.94199
   33    29 S   CT   _C11    36     1.84481   101.41532   -58.47467
   34    33 S   HC   _H3_    37     1.09190   106.69833    51.67099
   35    30 S   CO3  _C3_    29     1.52865   112.43905  -154.27381
   36    35 S   O2Z  _O31    30     1.26413   115.27637   -46.00980
   37    35 S   O2Z  _O32    31     1.26320   115.07021   133.25928
   38    33 S   CA   _C12    38     1.52495   109.37742   166.49188
   39    33 S   CM   _C10    58     1.51256   109.99445   -67.64629
   40    39 S   HC   _H17    59     1.09176   115.49550   -52.92995
   41    38 S   CA   _C13    39     1.40912   118.74914   -97.46450
   42    41 S   HA   _H18    40     1.08668   118.22472    -1.49580
   43    39 S   CMA  _C9_    60     1.35630   127.19410   126.01856
   44    43 S   OM   _O37    61     1.26789   123.62787  -179.95577
   45    41 S   CA   _C14    41     1.39705   121.13227   178.33717
   46    43 S   OS   _O33    62     1.41608   111.90785     1.09878
   47    45 S   CA   _C15    42     1.39852   118.60526     0.59970
   48    45 S   OS   _O36    53     1.37052   125.08319  -179.68041
   49    46 S   CT   _C8_    63     1.43645   114.56098  -148.77022
   50    49 S   HC   _H15    64     1.09565   109.29062    49.66574
   51    49 S   HC   _H16    65     1.09448   109.03714   -70.75087
   52    47 S   CA   _C16    43     1.40099   121.61525    -1.02259
   53    47 S   OH   _O35    51     1.37372   118.64702   179.45320
   54    53 S   HO   _H23    52     0.97357   107.28611   179.76930
   55    48 S   CT   _C19    54     1.42289   116.95311     8.92121
   56    55 S   HC   _H24    55     1.09422   107.78530   174.57874
   57    55 S   HC   _H25    56     1.09506   111.26175    56.71036
   58    55 S   HC   _H26    57     1.09482   110.98394   -67.72985
   59    49 S   CT   _C7_    66     1.52576   107.23269   169.22344
   60    59 S   HC   _H13    67     1.09720   110.58307    57.50785
   61    59 S   HC   _H14    68     1.09594   110.06186   -60.66230
   62    38 S   CA   _C17    44     1.40653   122.31545    80.21610
   63    62 S   HA   _H19    45     1.08537   118.72335     0.63581
   64    52 S   OS   _O34    46     1.37136   115.51938  -179.37913
   65    59 S   NP   _N4_    69     1.53655   114.17933   178.83198
   66    64 S   CT   _C18    47     1.42277   116.97253  -178.61450
   67    66 S   HC   _H20    48     1.09428   107.72884   178.83182
   68    66 S   HC   _H21    49     1.09503   111.18698    61.08134
   69    66 S   HC   _H22    50     1.09495   111.09160   -63.48058
   70    65 S   CT   _C4_    70     1.52268   111.31264   -65.68105
   71    70 S   HC   _H4_    71     1.09378   108.49875   -53.79424
   72    70 S   HC   _H5_    72     1.09272   109.02359    66.89712
   73    70 S   HC   _H6_    73     1.09434   108.37342  -173.72502
   74    65 S   CT   _C5_    74     1.52434   111.58893    57.10804
   75    74 S   HC   _H7_    75     1.09181   108.38437    50.47316
   76    74 S   HC   _H8_    76     1.09418   108.49830   170.71636
   77    74 S   HC   _H9_    77     1.09312   108.92372   -70.02257
   78    65 S   CT   _C6_    78     1.53199   107.64541   175.67537
   79    78 S   HC   _H10    79     1.09325   108.42249   -59.57722
   80    78 S   HC   _H11    80     1.09410   108.33647    60.36348
   81    78 S   HC   _H12    81     1.09407   108.61152  -179.68534
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7   3   9   4   6   2  11   7   9   6
   9   5   4   9   3   1   3   2   1   1  15   5   4   3   1   4
  12   3   2   1   1  11   4   3   2   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    62    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    62    63    39    40    43    44    46  
   38    41    62    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    52    62    63    64    48    39    40    43  
   40    43    44    46    49    41    62  
   43    44    46  
   42    45    47    52    62    63    53    48    55  
   45    47    62    48  
   44    46    49    50    51    59  
   46    49  
   47    52    62    64    53    54    48    55    56    57    58  
   49    50    51    59    60    61    65  
   52    62    63    64    66    53    54    48    55  
   55    56    57    58    52    53  
   50    51    59    60    61    65    70    74    78  
   51    59    60    61    65  
   59    60    61    65  
   62    63    64    66    67    68    69    53    54  
   54    62    64  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    61    65    70    71    72    73    74    75    76    77    78    79    80    81  
   61    65    70    74    78  
   65    70    74    78  
   63    64    66  
   64  
   66    67    68    69  
   70    71    72    73    74    75    76    77    78    79    80    81  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    78  
   74    78  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.221900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    62   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    52   469.000  1.400
   47    53   450.000  1.364
   52    62   469.000  1.400
   52    64   450.000  1.364
   62    63   367.000  1.080
   64    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   553.000  0.945
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   440.000  1.360
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   367.000  1.471
   65    70   367.000  1.471
   65    74   367.000  1.471
   65    78   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    62    52    63.00000  120.00000
   38    62    63    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    52    63.00000  120.00000
   45    47    53    70.00000  120.00000
   45    48    55    75.00000  111.00000
   47    52    62    63.00000  120.00000
   47    52    64    70.00000  120.00000
   47    53    54    35.00000  113.00000
   52    62    63    35.00000  120.00000
   52    64    66    75.00000  111.00000
   62    38    41    63.00000  120.00000
   64    52    62    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    47    52    70.00000  120.00000
   48    45    47    70.00000  120.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    46    49    90.00000  111.18400
   46    43    44    65.00000  121.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    59    50.00000  109.50000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    65    80.00000  111.20000
   51    49    50    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    51    37.50000  110.70000
   59    65    70    75.00000  113.01200
   59    65    74    75.00000  113.01200
   59    65    78    75.00000  113.01200
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   65    78    79    35.00000  109.50000
   65    78    80    35.00000  109.50000
   65    78    81    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    70    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    65    70    75.00000  113.01200
   78    65    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    62    52   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    62    52   3.62500 -1.0 2.0
   41    38    62    63   3.62500 -1.0 2.0
   41    45   -47    52   3.62500 -1.0 2.0
   41    45    47    53   3.62500 -1.0 2.0
   41    45    48    55   1.63200 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    52    62   3.62500 -1.0 2.0
   45    47    52    64   3.62500 -1.0 2.0
   45    47    53    54   0.84100 -1.0 2.0
   45    48    55    56   0.08050  1.0 3.0
   45    48    55    57   0.08050  1.0 3.0
   45    48    55    58   0.08050  1.0 3.0
   47    45    48    55   1.63200 -1.0 2.0
   47    52   -62    38   3.62500 -1.0 2.0
   47    52    62    63   3.62500 -1.0 2.0
   47    52    64    66   1.63200 -1.0 2.0
   52    47    53    54   0.84100 -1.0 2.0
   52    64    66    67   0.08050  1.0 3.0
   52    64    66    68   0.08050  1.0 3.0
   52    64    66    69   0.08050  1.0 3.0
   62    38    41    42   3.62500 -1.0 2.0
   62    38   -41    45   3.62500 -1.0 2.0
   62    52    64    66   1.63200 -1.0 2.0
   64    52    62    38   3.62500 -1.0 2.0
   64    52    62    63   3.62500 -1.0 2.0
   53    47    52    62   3.62500 -1.0 2.0
   53    47    52    64   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   48    45    47    53   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    43    46    49  -2.26850  1.0 1.0
   39    43    46    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    49    50   0.08050  1.0 3.0
   43    46    49    51   0.08050  1.0 3.0
   43    46    49    59  -0.46850  1.0 1.0
   43    46    49    59   0.09300 -1.0 2.0
   43    46    49    59  -0.12850  1.0 3.0
   44    43    46    49   2.00000 -1.0 2.0
   46    49    59    60   0.23400  1.0 3.0
   46    49    59    61   0.23400  1.0 3.0
   46    49    59    65   1.69300  1.0 1.0
   46    49    59    65  -0.48450 -1.0 2.0
   49    59    65    70   0.47100  1.0 1.0
   49    59    65    74   0.47100  1.0 1.0
   49    59    65    78   0.47100  1.0 1.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    61   0.15000  1.0 3.0
   50    49    59    65   0.19200  1.0 3.0
   51    49    59    60   0.15000  1.0 3.0
   51    49    59    61   0.15000  1.0 3.0
   51    49    59    65   0.19200  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    73   0.15000  1.0 3.0
   59    65    74    75   0.15000  1.0 3.0
   59    65    74    76   0.15000  1.0 3.0
   59    65    74    77   0.15000  1.0 3.0
   59    65    78    79   0.15000  1.0 3.0
   59    65    78    80   0.15000  1.0 3.0
   59    65    78    81   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   60    59    65    74   0.15000  1.0 3.0
   60    59    65    78   0.15000  1.0 3.0
   61    59    65    70   0.15000  1.0 3.0
   61    59    65    74   0.15000  1.0 3.0
   61    59    65    78   0.15000  1.0 3.0
   70    65    74    75   0.15000  1.0 3.0
   70    65    74    76   0.15000  1.0 3.0
   70    65    74    77   0.15000  1.0 3.0
   70    65    78    79   0.15000  1.0 3.0
   70    65    78    80   0.15000  1.0 3.0
   70    65    78    81   0.15000  1.0 3.0
   74    65    70    71   0.15000  1.0 3.0
   74    65    70    72   0.15000  1.0 3.0
   74    65    70    73   0.15000  1.0 3.0
   74    65    78    79   0.15000  1.0 3.0
   74    65    78    80   0.15000  1.0 3.0
   74    65    78    81   0.15000  1.0 3.0
   78    65    70    71   0.15000  1.0 3.0
   78    65    70    72   0.15000  1.0 3.0
   78    65    70    73   0.15000  1.0 3.0
   78    65    74    75   0.15000  1.0 3.0
   78    65    74    76   0.15000  1.0 3.0
   78    65    74    77   0.15000  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
   41    62    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   52    53    47    45   4.00000 -1.0 2.0
   62    64    52    47   4.00000 -1.0 2.0
   52    63    62    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    46    43    39  15.00000 -1.0 2.0
END
