* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    143    221     429
    1     0 S   NP   _N1_     1    28.61107    95.07754   -21.43187
    2     1 S   H    _HN1     2     1.02831    36.27204   164.88224
    3     1 S   H    _H1_     3     1.02787    94.50141   -80.71725
    4     1 S   H    _H2_     4     1.02945    80.20824    27.12314
    5     1 S   CT   _CA1     5     1.50160   144.93547   138.88450
    6     5 S   HC   _HA1     6     1.09598   105.07080    75.32769
    7     5 S   CO3  _C1_     7     1.53815   112.37354   -44.30841
    8     7 S   O2Z  _O11     8     1.26400   115.17599   -44.36141
    9     7 S   O2Z  _O12     9     1.26214   114.98028   134.60595
   10     5 S   CT   _CB1    10     1.53153   107.29421  -167.26535
   11    10 S   HC   HB11    11     1.09816   109.07115   -52.58886
   12    10 S   HC   HB12    12     1.09785   110.55360    63.84713
   13    10 S   CT   _CG1    13     1.52918   112.65815  -173.73991
   14    13 S   HC   HG11    14     1.09395   110.14743   -67.33481
   15    13 S   HC   HG12    15     1.09675   109.95143    51.57327
   16    13 S   C    _CD1    16     1.51881   112.76026   171.74695
   17    16 S   O    _OE1    17     1.22718   123.34182    -3.70972
   18    16 S   N    _N2_    18     1.38713   111.55986   177.70296
   19    18 S   H    _HN2    19     1.01585   118.72040    -1.04268
   20    18 S   CT1  _CA2    20     1.46320   123.59043   174.88749
   21    20 S   HC   _HA2    21     1.09734   109.39581    -0.71491
   22    20 S   C    _C2_    22     1.53533   108.27103  -116.03074
   23    22 S   O    _O2_    23     1.23054   122.33614  -147.56605
   24    20 S   CT   _CB2    32     1.53329   111.67710   121.68018
   25    24 S   HC   HB21    33     1.09598   109.84641    53.45796
   26    24 S   HC   HB22    34     1.09497   110.77214   172.79364
   27    22 S   N    _N3_    24     1.38350   113.64949    39.85597
   28    27 S   H    _HN3    25     1.01604   119.55878    -3.34913
   29    24 S   S    _SG2    35     1.82349   111.33991   -67.49333
   30    27 S   CT   _CA3    26     1.45278   123.16010   177.12778
   31    30 S   HC   HA31    27     1.09550   107.51786   -64.35231
   32    30 S   HC   HA32    28     1.09559   107.96430    52.06561
   33    29 S   CT   _C15    36     1.82839    99.22602   171.58786
   34    33 S   HC   _H16    37     1.09142   108.41084   -37.76510
   35    33 S   HC   _H17    38     1.09467   107.96813    79.16648
   36    30 S   CO3  _C3_    29     1.52940   114.12722   174.07550
   37    36 S   O2Z  _O31    30     1.26362   116.08541    -0.13270
   38    36 S   O2Z  _O32    31     1.26433   114.40024   179.91607
   39    33 S   CT   _C14    39     1.53903   110.20446  -160.32203
   40    39 S   HC   _H10    40     1.09801   107.79280   -54.58116
   41    39 S   CT   _C13    41     1.54372   113.10842  -173.25922
   42    41 S   HC   _H9_    42     1.09626   109.68390    42.79625
   43    41 S   CT   _C12    43     1.53550   113.54306   -80.85596
   44    43 S   HC   _H8_    44     1.09698   109.49432  -165.40956
   45    41 S   OH   _O37    77     1.43173   108.95956   159.28858
   46    45 S   HO   _H18    78     0.97235   107.88825   -57.85145
   47    43 S   CT   _C11    45     1.53380   112.08287   -44.38523
   48    47 S   HC   _H7_    46     1.09644   110.81828   170.36508
   49    43 S   OH   _O38    75     1.42592   109.86772    76.43482
   50    49 S   HO   _H19    76     0.97293   107.53759    63.72783
   51    47 S   CO   _C10    47     1.53398   110.30258    49.59862
   52    51 S   HC   _H6_    48     1.09129   108.41533    62.61331
   53    47 S   OH   _O39    73     1.42852   110.23902   -71.19226
   54    53 S   HO   _H20    74     0.97198   107.75712   -56.27691
   55    39 S   OS   _O36    49     1.43415   112.06928    60.68765
   56    51 S   OS   _O35    50     1.43254   108.41781  -179.39026
   57    56 S   CO   _C8_    51     1.44246   116.02833  -163.20258
   58    57 S   CT   _C7_    52     1.53767   107.66458  -168.78018
   59    58 S   HC   _H5_    53     1.09612   112.95632  -164.08533
   60    57 S   CT   _C9_    68     1.53669   110.52398    67.74694
   61    60 S   HC   _H13    69     1.09520   110.62449    46.81776
   62    60 S   HC   _H14    70     1.09401   111.00977   -73.44137
   63    58 S   CT   _C6_    54     1.51503   101.01159    79.47320
   64    63 S   HC   _H4_    55     1.09625   110.96156   -78.65092
   65    58 S   OH   _O40    66     1.41647   113.64963   -40.49750
   66    65 S   HO   _H21    67     0.97189   107.45691   -62.16099
   67    60 S   OH   _O34    71     1.42152   111.58523   167.92705
   68    67 S   HO   _H15    72     0.97231   107.37279  -177.91447
   69    63 S   CT   _C5_    56     1.52326   101.15739    40.85549
   70    69 S   HC   _H3_    57     1.09445   111.44836    86.49429
   71    63 S   OH   _O41    64     1.41784   112.58501   160.52377
   72    71 S   HO   _H22    65     0.97611   108.49550   -59.46257
   73    57 S   OS   _O33    58     1.44342   111.75824   -55.32275
   74    69 S   CT   _C4_    59     1.52210   112.82389  -150.84500
   75    74 S   HC   _H11    60     1.09352   111.42354    69.18142
   76    74 S   HC   _H12    61     1.09436   110.91171   -52.84564
   77    74 S   OH   _O42    62     1.42386   109.08823  -171.59080
   78    77 S   HO   _H23    63     0.97205   107.06867  -175.59247
  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  11  16  15   8   8   4   3  12   7
   4   1   2   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    73    60    53    54  
   55    56    57    53  
   54    55    56  
    0  
   56    57  
   57    58    59    63    69    73    65    60    61    62    67  
   58    59    63    64    69    70    73    74    71    65    66    60    61    62    67    68  
   59    63    64    69    70    73    74    71    72    65    66    60    61    62    67  
   63    64    69    73    71    65    66    60  
   61    62    67    68    63    65    69    73  
   62    67    68    73  
   67    68    73  
   64    69    70    73    74    75    76    77    71    72    65    66  
   69    70    73    74    71    72    65  
   66    69    71    73  
    0  
   68    73  
    0  
   70    73    74    75    76    77    78    71    72  
   73    74    75    76    77    71  
   72    73    74  
    0  
   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   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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  1.380
   57    58   250.000  1.527
   57    73   320.000  1.380
   57    60   250.000  1.527
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    65   320.000  1.410
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    71   320.000  1.410
   69    70   340.000  1.090
   69    73   320.000  1.410
   69    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
   71    72   553.000  0.945
   65    66   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   320.000  1.410
   67    68   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   100.00000  109.58800
   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    90.00000  108.56700
   56    57    73    92.60000  111.55000
   56    57    60    90.00000  108.56700
   57    58    59    45.00000  108.72000
   57    58    63    75.00000  109.43000
   57    58    65    90.00000  111.58700
   57    73    69    60.00000  109.50000
   57    60    61    45.00000  108.72000
   57    60    62    45.00000  108.72000
   57    60    67    90.00000  111.58700
   58    63    64    37.50000  110.70000
   58    63    69    58.35000  112.70000
   58    63    71    50.00000  109.50000
   58    65    66    55.00000  108.50000
   63    58    59    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    73    50.00000  109.50000
   63    69    74    58.35000  112.70000
   63    71    72    55.00000  108.50000
   69    63    64    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    50.00000  109.50000
   73    57    58    90.00000  108.56700
   73    69    70    35.00000  109.50000
   74    69    70    37.50000  110.70000
   74    69    73    50.00000  109.50000
   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
   71    63    64    35.00000  109.50000
   71    63    69    50.00000  109.50000
   65    58    59    35.00000  109.50000
   65    58    63    50.00000  109.50000
   60    57    58    65.00000  112.71400
   60    57    73    90.00000  108.56700
   60    67    68    55.00000  108.50000
   62    60    61    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    62    35.00000  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   0.06250  1.0 1.0
   51    56    57    58  -0.01100 -1.0 2.0
   51    56    57    58   0.28050  1.0 3.0
   51    56    57    73  -0.53350  1.0 1.0
   51    56    57    73  -0.78350 -1.0 2.0
   51    56    57    73   0.33750  1.0 3.0
   51    56    57    60   0.06250  1.0 1.0
   51    56    57    60  -0.01100 -1.0 2.0
   51    56    57    60   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    58    59   0.23400  1.0 3.0
   56    57    58    63   0.62750  1.0 1.0
   56    57    58    63  -0.30950 -1.0 2.0
   56    57    58    63   0.27300  1.0 3.0
   56    57    58    65   3.69350  1.0 1.0
   56    57    58    65  -1.82950 -1.0 2.0
   56    57    73    69  -0.53350  1.0 1.0
   56    57    73    69  -0.78350 -1.0 2.0
   56    57    73    69   0.33750  1.0 3.0
   56    57    60    61   0.23400  1.0 3.0
   56    57    60    62   0.23400  1.0 3.0
   56    57    60    67   3.69350  1.0 1.0
   56    57    60    67  -1.82950 -1.0 2.0
   57    58    63    64   0.15000  1.0 3.0
   57    58   -63    69   3.97050  1.0 1.0
   57    58    63    71   0.86500  1.0 1.0
   57    58    63    71  -0.17500 -1.0 2.0
   57    58    63    71   0.20800  1.0 3.0
   57    58    65    66  -0.11600  1.0 1.0
   57    58    65    66  -0.09450 -1.0 2.0
   57    58    65    66   0.21250  1.0 3.0
   57    60    67    68  -0.11600  1.0 1.0
   57    60    67    68  -0.09450 -1.0 2.0
   57    60    67    68   0.21250  1.0 3.0
   58    57   -73    69   0.06250  1.0 1.0
   58    57   -73    69  -0.01100 -1.0 2.0
   58    57   -73    69   0.28050  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    67   0.86500  1.0 1.0
   58    57    60    67  -0.17500 -1.0 2.0
   58    57    60    67   0.20800  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   58    63   -69    73   0.62750  1.0 1.0
   58    63   -69    73  -0.30950 -1.0 2.0
   58    63   -69    73   0.27300  1.0 3.0
   58    63    69    74   0.56750  1.0 1.0
   58    63    69    74  -0.07550 -1.0 2.0
   58    63    69    74   0.20000  1.0 3.0
   58    63    71    72  -0.11600  1.0 1.0
   58    63    71    72  -0.09450 -1.0 2.0
   58    63    71    72   0.21250  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   59    58    63    71   0.23400  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   63    58    65    66  -0.11600  1.0 1.0
   63    58    65    66  -0.09450 -1.0 2.0
   63    58    65    66   0.21250  1.0 3.0
   63    69   -73    57   0.06250  1.0 1.0
   63    69   -73    57  -0.01100 -1.0 2.0
   63    69   -73    57   0.28050  1.0 3.0
   63    69    74    75   0.15000  1.0 3.0
   63    69    74    76   0.15000  1.0 3.0
   63    69    74    77   0.86500  1.0 1.0
   63    69    74    77  -0.17500 -1.0 2.0
   63    69    74    77   0.20800  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    73   0.23400  1.0 3.0
   64    63    69    74   0.15000  1.0 3.0
   64    63    71    72   0.19450  1.0 3.0
   69    63    71    72  -0.11600  1.0 1.0
   69    63    71    72  -0.09450 -1.0 2.0
   69    63    71    72   0.21250  1.0 3.0
   69    74    77    78  -0.11600  1.0 1.0
   69    74    77    78  -0.09450 -1.0 2.0
   69    74    77    78   0.21250  1.0 3.0
   70    69    73    57   0.37050  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.23400  1.0 3.0
   73    57    58    59   0.23400  1.0 3.0
   73    57   -58    63   0.62750  1.0 1.0
   73    57   -58    63  -0.30950 -1.0 2.0
   73    57   -58    63   0.27300  1.0 3.0
   73    57    58    65   3.69350  1.0 1.0
   73    57    58    65  -1.82950 -1.0 2.0
   73    57    60    61   0.23400  1.0 3.0
   73    57    60    62   0.23400  1.0 3.0
   73    57    60    67   3.69350  1.0 1.0
   73    57    60    67  -1.82950 -1.0 2.0
   73    69    74    75   0.23400  1.0 3.0
   73    69    74    76   0.23400  1.0 3.0
   73    69    74    77   3.69350  1.0 1.0
   73    69    74    77  -1.82950 -1.0 2.0
   74    69    73    57   0.06250  1.0 1.0
   74    69    73    57  -0.01100 -1.0 2.0
   74    69    73    57   0.28050  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78   0.19450  1.0 3.0
   71    63    69    70   0.23400  1.0 3.0
   71    63    69    73   3.69350  1.0 1.0
   71    63    69    73  -1.82950 -1.0 2.0
   71    63    69    74   0.86500  1.0 1.0
   71    63    69    74  -0.17500 -1.0 2.0
   71    63    69    74   0.20800  1.0 3.0
   65    58    63    64   0.23400  1.0 3.0
   65    58    63    69   0.86500  1.0 1.0
   65    58    63    69  -0.17500 -1.0 2.0
   65    58    63    69   0.20800  1.0 3.0
   65    58    63    71   3.75450  1.0 1.0
   60    57    58    59   0.15000  1.0 3.0
   60    57    58    63   0.56750  1.0 1.0
   60    57    58    63  -0.07550 -1.0 2.0
   60    57    58    63   0.20000  1.0 3.0
   60    57    58    65   0.86500  1.0 1.0
   60    57    58    65  -0.17500 -1.0 2.0
   60    57    58    65   0.20800  1.0 3.0
   60    57    73    69   0.06250  1.0 1.0
   60    57    73    69  -0.01100 -1.0 2.0
   60    57    73    69   0.28050  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   62    60    67    68   0.19450  1.0 3.0
   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
