* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    143    221     431
    1     0 S   NP   _N1_     1    28.69232    94.75184   -22.74394
    2     1 S   H    _HN1     2     1.02956    85.02545    23.95062
    3     1 S   H    _H1_     3     1.02841    28.44327   165.08850
    4     1 S   H    _H2_     4     1.02781    98.99783   -83.85127
    5     1 S   CT   _CA1     5     1.50097   137.15656   138.90829
    6     5 S   HC   _HA1     6     1.09574   105.25419    72.20238
    7     5 S   CO3  _C1_     7     1.53791   112.30569   -48.07612
    8     7 S   O2Z  _O11     8     1.26362   115.00222   -46.53505
    9     7 S   O2Z  _O12     9     1.26234   114.90330   132.66295
   10     5 S   CT   _CB1    10     1.53104   107.47113  -169.87366
   11    10 S   HC   HB11    11     1.09826   109.41014   -50.73036
   12    10 S   HC   HB12    12     1.09818   110.42109    65.84275
   13    10 S   CT   _CG1    13     1.53024   112.60435  -171.78322
   14    13 S   HC   HG11    14     1.09595   110.49034   -62.83219
   15    13 S   HC   HG12    15     1.09651   109.95233    56.38652
   16    13 S   C    _CD1    16     1.51806   112.28938   176.82899
   17    16 S   O    _OE1    17     1.22742   123.25132    -0.25793
   18    16 S   N    _N2_    18     1.38651   111.67244   179.64392
   19    18 S   H    _HN2    19     1.01597   119.07431     0.78360
   20    18 S   CT1  _CA2    20     1.46103   123.29662  -179.84298
   21    20 S   HC   _HA2    21     1.09586   109.19218   -11.13378
   22    20 S   C    _C2_    22     1.53452   108.68451  -126.26036
   23    22 S   O    _O2_    23     1.23022   122.14039  -147.68136
   24    20 S   CT   _CB2    32     1.53396   111.73931   111.25562
   25    24 S   HC   HB21    33     1.09653   109.61729    60.42939
   26    24 S   HC   HB22    34     1.09565   111.00678   177.85662
   27    22 S   N    _N3_    24     1.38486   113.44295    39.94579
   28    27 S   H    _HN3    25     1.01514   118.93206    -0.90569
   29    24 S   S    _SG2    35     1.82835   114.48772   -59.39365
   30    27 S   CT   _CA3    26     1.45448   123.45362   174.46824
   31    30 S   HC   HA31    27     1.09521   109.23135    24.69702
   32    30 S   HC   HA32    28     1.09492   107.13566   141.75531
   33    29 S   CT   _C15    36     1.82919    99.72078   -69.25316
   34    33 S   HC   _H18    37     1.09463   107.57393   -55.72038
   35    33 S   HC   _H19    38     1.09286   108.88603    62.93344
   36    30 S   CO3  _C3_    29     1.52944   113.08248   -98.72960
   37    36 S   O2Z  _O31    30     1.26406   115.42271   -43.11792
   38    36 S   O2Z  _O32    31     1.26353   114.96442   137.75622
   39    33 S   CT   _C14    39     1.53353   110.27039  -176.56829
   40    39 S   HC   _H12    40     1.09879   109.67408   -48.75692
   41    39 S   CT   _C13    41     1.53805   112.07176  -169.93124
   42    41 S   HC   _H11    42     1.09608   111.26002    61.16456
   43    41 S   CT   _C12    43     1.53249   109.47374  -177.39451
   44    43 S   HC   _H10    44     1.09721   109.60482   -68.22656
   45    41 S   OH   _O39    77     1.42912   110.40520   -57.74725
   46    45 S   HO   _H20    78     0.97194   108.02582    72.09686
   47    43 S   CT   _C11    45     1.53180   111.27887    52.83517
   48    47 S   HC   _H9_    46     1.09648   110.19732    72.11928
   49    43 S   OH   _O40    75     1.42668   110.55165   174.55914
   50    49 S   HO   _H21    76     0.97209   107.77852    51.89663
   51    47 S   CO   _C10    47     1.53527   110.74912   -50.29397
   52    51 S   HC   _H8_    48     1.09837   109.94109   -68.46573
   53    47 S   OH   _O41    73     1.43096   109.56505  -171.27963
   54    53 S   HO   _H22    74     0.97198   108.20421    57.86105
   55    39 S   OS   _O38    49     1.43310   107.94868    70.00153
   56    51 S   OS   _O37    50     1.43504   107.61073   174.06730
   57    56 S   CT   _C6_    51     1.43158   113.40186   173.21259
   58    57 S   HC   _H4_    52     1.09915   111.21098    -2.38958
   59    57 S   CT   _C7_    53     1.53606   108.56933   117.38532
   60    59 S   HC   _H5_    54     1.09682   110.08195    47.90360
   61    59 S   CT   _C8_    55     1.53076   111.24298   170.49221
   62    61 S   HC   _H6_    56     1.09687   109.76683    72.78061
   63    59 S   OH   _O36    71     1.42915   110.50087   -68.30471
   64    63 S   HO   _H17    72     0.97267   108.32306   -48.97446
   65    61 S   CO   _C9_    57     1.53100   111.24526   -49.29825
   66    65 S   HC   _H7_    58     1.09724   110.98870   -69.50653
   67    61 S   OH   _O35    69     1.42974   109.55341  -170.89593
   68    67 S   HO   _H16    70     0.97222   108.16381    58.77029
   69    65 S   OS   _O33    59     1.42408   110.54411    53.09493
   70    65 S   OH   _O34    67     1.42558   108.22435   172.82849
   71    70 S   HO   _H15    68     0.97186   106.69009   159.99331
   72    57 S   CT   _C5_    60     1.53588   109.07939  -123.37404
   73    72 S   HC   _H3_    61     1.09854   110.94877   -56.49565
   74    72 S   CT   _C4_    62     1.52992   111.85344    64.37870
   75    74 S   HC   _H13    63     1.09496   111.00178    68.08997
   76    74 S   HC   _H14    64     1.09354   111.60623   -54.37023
   77    74 S   OH   _O42    65     1.42518   109.09895  -173.19358
   78    77 S   HO   _H23    66     0.97236   107.04458  -178.63814
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  13   7   4   1  10   7
   3   1   9   4   3   1   2  10  16   8  14   7  11   7   4   1
   9   5   3   1   8   2   1   6   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    55  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    51    55    45  
   35    39    40    41    55  
   39    40    41    55  
   37    38  
   38  
    0  
   40    41    42    43    44    47    51    52    55    56    49    45    46  
   41    42    43    51    55    45  
   42    43    44    47    48    51    55    53    49    50    45    46  
   43    44    47    55    49    45    46  
   44    47    48    51    52    55    56    53    54    49    50    45    46  
   47    48    51    53    49    50    45  
   46    47    49    55  
    0  
   48    51    52    55    56    57    53    54    49    50  
   51    52    55    56    53    54    49  
   50    51    53  
    0  
   52    55    56    57    58    59    72    53    54  
   55    56    57    53  
   54    55    56  
    0  
   56    57  
   57    58    59    60    61    69    72    73    74    63  
   58    59    60    61    62    65    69    72    73    74    75    76    77    67    63    64  
   59    60    61    69    72    73    74    63  
   60    61    62    65    66    69    72    73    74    70    67    68    63    64  
   61    62    65    72    67    63    64  
   62    65    66    69    72    70    71    67    68    63    64  
   65    66    69    70    67    68    63  
   64    65    67    72  
    0  
   66    69    72    73    74    70    71    67    68  
   69    72    70    71    67  
   68    69    70  
    0  
   72    73    74    75    76    77    70    71  
   71    72  
    0  
   73    74    75    76    77    78  
   74    75    76    77  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   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   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    55   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.380
   51    56   320.000  1.380
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    72   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    65   250.000  1.527
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    69   320.000  1.380
   65    70   380.000  1.407
   69    72   320.000  1.410
   72    73   340.000  1.090
   72    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   320.000  1.410
   77    78   553.000  0.945
   70    71   553.000  0.945
   67    68   553.000  0.945
   63    64   553.000  0.945
   53    54   553.000  0.945
   49    50   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    55    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    55    51    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    51    75.00000  109.43000
   43    47    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    51    52    45.00000  112.01100
   47    51    55    90.00000  108.56700
   47    51    56    90.00000  108.56700
   47    53    54    55.00000  108.50000
   51    47    48    45.00000  108.72000
   51    56    57    60.00000  109.50000
   55    39    40    35.00000  109.50000
   55    39    41    50.00000  109.50000
   55    51    52    35.00000  109.50000
   56    51    52    35.00000  109.50000
   56    51    55    92.60000  111.55000
   56    57    58    35.00000  109.50000
   56    57    59    50.00000  109.50000
   56    57    72    50.00000  109.50000
   57    59    60    37.50000  110.70000
   57    59    61    58.35000  112.70000
   57    59    63    50.00000  109.50000
   57    72    69    50.00000  109.50000
   57    72    73    37.50000  110.70000
   57    72    74    58.35000  112.70000
   59    57    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    65    75.00000  109.43000
   59    61    67    50.00000  109.50000
   59    63    64    55.00000  108.50000
   61    59    60    37.50000  110.70000
   61    65    66    45.00000  112.01100
   61    65    69    90.00000  108.56700
   61    65    70    90.00000  110.19100
   61    67    68    55.00000  108.50000
   65    61    62    45.00000  108.72000
   65    69    72    60.00000  109.50000
   65    70    71    70.00000  107.92000
   69    65    66    35.00000  109.50000
   69    72    73    35.00000  109.50000
   69    72    74    50.00000  109.50000
   72    57    58    37.50000  110.70000
   72    57    59    58.35000  112.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    50.00000  109.50000
   74    72    73    37.50000  110.70000
   74    77    78    55.00000  108.50000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   70    65    66    60.00000  108.02500
   70    65    69   110.00000  112.08000
   67    61    62    35.00000  109.50000
   67    61    65    90.00000  111.58700
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   53    47    48    35.00000  109.50000
   53    47    51    90.00000  111.58700
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    55    51   0.06250  1.0 1.0
   33    39    55    51  -0.01100 -1.0 2.0
   33    39    55    51   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    55   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    55    51   0.37050  1.0 3.0
   41    39    55    51   0.06250  1.0 1.0
   41    39    55    51  -0.01100 -1.0 2.0
   41    39    55    51   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   3.97050  1.0 1.0
   41    43    47    53   0.86500  1.0 1.0
   41    43    47    53  -0.17500 -1.0 2.0
   41    43    47    53   0.20800  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    55   0.62750  1.0 1.0
   43    47    51    55  -0.30950 -1.0 2.0
   43    47    51    55   0.27300  1.0 3.0
   43    47    51    56   0.62750  1.0 1.0
   43    47    51    56  -0.30950 -1.0 2.0
   43    47    51    56   0.27300  1.0 3.0
   43    47    53    54  -0.11600  1.0 1.0
   43    47    53    54  -0.09450 -1.0 2.0
   43    47    53    54   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51   -55    39   0.06250  1.0 1.0
   47    51   -55    39  -0.01100 -1.0 2.0
   47    51   -55    39   0.28050  1.0 3.0
   47    51    56    57   0.06250  1.0 1.0
   47    51    56    57  -0.01100 -1.0 2.0
   47    51    56    57   0.28050  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    51    56   0.23400  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   51    47    53    54  -0.11600  1.0 1.0
   51    47    53    54  -0.09450 -1.0 2.0
   51    47    53    54   0.21250  1.0 3.0
   51    56    57    58   0.37050  1.0 3.0
   51    56    57    59   0.06250  1.0 1.0
   51    56    57    59  -0.01100 -1.0 2.0
   51    56    57    59   0.28050  1.0 3.0
   51    56    57    72   0.06250  1.0 1.0
   51    56    57    72  -0.01100 -1.0 2.0
   51    56    57    72   0.28050  1.0 3.0
   52    51    55    39   0.37050  1.0 3.0
   52    51    56    57   0.37050  1.0 3.0
   55    39    41    42   0.23400  1.0 3.0
   55    39   -41    43   0.62750  1.0 1.0
   55    39   -41    43  -0.30950 -1.0 2.0
   55    39   -41    43   0.27300  1.0 3.0
   55    39    41    45   3.69350  1.0 1.0
   55    39    41    45  -1.82950 -1.0 2.0
   55    51    56    57  -0.53350  1.0 1.0
   55    51    56    57  -0.78350 -1.0 2.0
   55    51    56    57   0.33750  1.0 3.0
   56    51    55    39  -0.81800  1.0 1.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.62750  1.0 1.0
   56    57    59    61  -0.30950 -1.0 2.0
   56    57    59    61   0.27300  1.0 3.0
   56    57    59    63   3.69350  1.0 1.0
   56    57    59    63  -1.82950 -1.0 2.0
   56    57    72    69   1.11900  1.0 1.0
   56    57    72    69  -1.16350 -1.0 2.0
   56    57    72    69  -0.34150  1.0 3.0
   56    57    72    73   0.23400  1.0 3.0
   56    57    72    74   0.62750  1.0 1.0
   56    57    72    74  -0.30950 -1.0 2.0
   56    57    72    74   0.27300  1.0 3.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    65   3.97050  1.0 1.0
   57    59    61    67   0.86500  1.0 1.0
   57    59    61    67  -0.17500 -1.0 2.0
   57    59    61    67   0.20800  1.0 3.0
   57    59    63    64  -0.11600  1.0 1.0
   57    59    63    64  -0.09450 -1.0 2.0
   57    59    63    64   0.21250  1.0 3.0
   57    72    74    75   0.15000  1.0 3.0
   57    72    74    76   0.15000  1.0 3.0
   57    72    74    77   0.86500  1.0 1.0
   57    72    74    77  -0.17500 -1.0 2.0
   57    72    74    77   0.20800  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    72    69   0.23400  1.0 3.0
   58    57    72    73   0.15000  1.0 3.0
   58    57    72    74   0.15000  1.0 3.0
   59    57    72    69   0.62750  1.0 1.0
   59    57    72    69  -0.30950 -1.0 2.0
   59    57    72    69   0.27300  1.0 3.0
   59    57    72    73   0.15000  1.0 3.0
   59    57    72    74   0.56750  1.0 1.0
   59    57    72    74  -0.07550 -1.0 2.0
   59    57    72    74   0.20000  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61   -65    69   0.62750  1.0 1.0
   59    61   -65    69  -0.30950 -1.0 2.0
   59    61   -65    69   0.27300  1.0 3.0
   59    61    65    70   0.86500  1.0 1.0
   59    61    65    70  -0.17500 -1.0 2.0
   59    61    65    70   0.20800  1.0 3.0
   59    61    67    68  -0.11600  1.0 1.0
   59    61    67    68  -0.09450 -1.0 2.0
   59    61    67    68   0.21250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64  -0.11600  1.0 1.0
   61    59    63    64  -0.09450 -1.0 2.0
   61    59    63    64   0.21250  1.0 3.0
   61    65    69    72   0.06250  1.0 1.0
   61    65    69    72  -0.01100 -1.0 2.0
   61    65    69    72   0.28050  1.0 3.0
   61    65    70    71  -0.11600  1.0 1.0
   61    65    70    71  -0.09450 -1.0 2.0
   61    65    70    71   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.23400  1.0 3.0
   62    61    65    70   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68  -0.11600  1.0 1.0
   65    61    67    68  -0.09450 -1.0 2.0
   65    61    67    68   0.21250  1.0 3.0
   65    69   -72    57   0.06250  1.0 1.0
   65    69   -72    57  -0.01100 -1.0 2.0
   65    69   -72    57   0.28050  1.0 3.0
   65    69    72    73   0.37050  1.0 3.0
   65    69    72    74   0.06250  1.0 1.0
   65    69    72    74  -0.01100 -1.0 2.0
   65    69    72    74   0.28050  1.0 3.0
   66    65    69    72   0.37050  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   69    65    70    71  -0.50000  1.0 1.0
   69    65    70    71  -0.73950 -1.0 2.0
   69    65    70    71   0.17150  1.0 3.0
   69    72    74    75   0.23400  1.0 3.0
   69    72    74    76   0.23400  1.0 3.0
   69    72    74    77   3.69350  1.0 1.0
   69    72    74    77  -1.82950 -1.0 2.0
   72    57    59    60   0.15000  1.0 3.0
   72    57   -59    61   0.56750  1.0 1.0
   72    57   -59    61  -0.07550 -1.0 2.0
   72    57   -59    61   0.20000  1.0 3.0
   72    57    59    63   0.86500  1.0 1.0
   72    57    59    63  -0.17500 -1.0 2.0
   72    57    59    63   0.20800  1.0 3.0
   72    74    77    78  -0.11600  1.0 1.0
   72    74    77    78  -0.09450 -1.0 2.0
   72    74    77    78   0.21250  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78   0.19450  1.0 3.0
   70    65    69    72  -0.81800  1.0 1.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69   3.69350  1.0 1.0
   67    61    65    69  -1.82950 -1.0 2.0
   67    61    65    70   3.75450  1.0 1.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    65   0.86500  1.0 1.0
   63    59    61    65  -0.17500 -1.0 2.0
   63    59    61    65   0.20800  1.0 3.0
   63    59    61    67   3.75450  1.0 1.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   3.69350  1.0 1.0
   53    47    51    55  -1.82950 -1.0 2.0
   53    47    51    56   3.69350  1.0 1.0
   53    47    51    56  -1.82950 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   0.86500  1.0 1.0
   49    43    47    51  -0.17500 -1.0 2.0
   49    43    47    51   0.20800  1.0 3.0
   49    43    47    53   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
END
