* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    162    240     479
    1     0 S   NP   _N1_     1    31.08978    90.54863   -27.65033
    2     1 S   H    _HN1     2     1.02709    29.40699   -80.06712
    3     1 S   H    _H1_     3     1.03172   134.27500  -111.39018
    4     1 S   H    _H2_     4     1.03141   104.27014    20.03202
    5     1 S   CT   _CA1     5     1.50002    86.41782   130.61469
    6     5 S   HC   _HA1     6     1.09579   105.16969    76.42981
    7     5 S   CO3  _C1_     7     1.53742   112.77089   -43.68879
    8     7 S   O2Z  _O11     8     1.26337   115.25533   -43.10123
    9     7 S   O2Z  _O12     9     1.26311   114.87727   136.14687
   10     5 S   CT   _CB1    10     1.53003   107.34621  -165.82720
   11    10 S   HC   HB11    11     1.09764   109.02716   -51.98706
   12    10 S   HC   HB12    12     1.09814   110.41682    64.55275
   13    10 S   CT   _CG1    13     1.52958   113.21112  -172.70836
   14    13 S   HC   HG11    14     1.09565   110.71460   -66.94169
   15    13 S   HC   HG12    15     1.09654   109.88128    52.53545
   16    13 S   C    _CD1    16     1.51807   111.73848   172.81007
   17    16 S   O    _OE1    17     1.22735   123.18276     7.09063
   18    16 S   N    _N2_    18     1.38655   111.96930  -172.81755
   19    18 S   H    _HN2    19     1.01571   119.03336     1.50272
   20    18 S   CT1  _CA2    20     1.46087   123.03692   176.63896
   21    20 S   HC   _HA2    21     1.09741   109.24758     4.94364
   22    20 S   C    _C2_    22     1.53658   109.36978  -110.58895
   23    22 S   O    _O2_    23     1.23100   122.03240  -152.57155
   24    20 S   CT   _CB2    32     1.53312   111.94434   126.74037
   25    24 S   HC   HB21    33     1.09581   110.57336    57.08219
   26    24 S   HC   HB22    34     1.09463   109.52223   175.24136
   27    22 S   N    _N3_    24     1.38230   114.19075    34.79442
   28    27 S   H    _HN3    25     1.01579   119.69608    -3.36860
   29    24 S   S    _SG2    35     1.83091   112.05690   -63.36521
   30    27 S   CT   _CA3    26     1.45314   123.01178   177.01456
   31    30 S   HC   HA31    27     1.09556   107.40667   -66.49317
   32    30 S   HC   HA32    28     1.09563   108.08063    49.91146
   33    29 S   CT   _C12    36     1.84672    99.85635  -136.51045
   34    33 S   HC   _H3_    37     1.09629   106.49686    46.53789
   35    30 S   CO3  _C3_    29     1.52912   114.19529   171.94373
   36    35 S   O2Z  _O31    30     1.26345   116.07477    -2.26001
   37    35 S   O2Z  _O32    31     1.26433   114.39989   177.84914
   38    33 S   CT   _C11    38     1.54578   108.95537   -70.96526
   39    38 S   HC   _H19    39     1.09741   110.86848   -70.13715
   40    38 S   HC   _H20    40     1.09412   110.71381    46.12270
   41    33 S   CT   _C13    61     1.55281   111.69481   163.75762
   42    41 S   HC   _H4_    62     1.09779   108.45240  -176.69808
   43    38 S   CM   _C10    41     1.50566   112.24969   168.80822
   44    43 S   HC   _H18    42     1.08865   115.71278    79.18366
   45    41 S   CT   _C14    63     1.54542   116.31936   -54.62031
   46    45 S   HC   _H5_    64     1.09315   110.38747    73.90534
   47    41 S   OH   _O36    90     1.43411   109.21240    68.58612
   48    47 S   HO   _H34    91     0.97225   107.36104   166.40189
   49    43 S   CM   _C9_    43     1.34249   126.95680  -100.16616
   50    49 S   HC   _H17    44     1.08882   117.40654   178.88022
   51    45 S   CM   _C15    65     1.50207   113.47363   -53.35402
   52    51 S   HC   _H21    66     1.08935   115.50838   -53.72887
   53    45 S   OH   _O35    88     1.43427   107.92013  -170.83548
   54    53 S   HO   _H33    89     0.97226   107.26200   -80.41505
   55    49 S   CT   _C8_    45     1.50161   127.16514    -0.85340
   56    55 S   HC   _H15    46     1.09707   108.20872  -140.46610
   57    55 S   HC   _H16    47     1.09448   111.48233   -24.54522
   58    51 S   CM   _C16    67     1.34323   127.51273   127.59419
   59    58 S   HC   _H22    68     1.08935   117.15525   179.10979
   60    55 S   CT   _C7_    48     1.52931   111.47367    98.66957
   61    60 S   HC   _H13    49     1.09706   109.72890   -58.63810
   62    60 S   HC   _H14    50     1.09729   109.95157    58.75024
   63    58 S   CT   _C17    69     1.50292   127.58861    -0.41259
   64    63 S   HC   _H23    70     1.09329   107.44742  -131.20491
   65    63 S   HC   _H24    71     1.09341   111.77289   -15.34478
   66    60 S   CT   _C6_    51     1.52981   111.16010  -179.75451
   67    66 S   HC   _H11    52     1.09651   109.59746    55.66539
   68    66 S   HC   _H12    53     1.09680   109.53507   -61.51780
   69    63 S   CM   _C18    72     1.50153   111.31280   105.71873
   70    69 S   HC   _H25    73     1.08983   115.49449   -50.89144
   71    66 S   CT   _C5_    54     1.52819   111.35005   176.96817
   72    71 S   HC   _H9_    55     1.09633   109.84743   -58.60419
   73    71 S   HC   _H10    56     1.09616   109.87047    59.13848
   74    69 S   CM   _C19    74     1.34218   127.78562   131.23173
   75    74 S   HC   _H26    75     1.08929   117.03604   178.86892
   76    71 S   CT   _C4_    57     1.52033   111.48997  -179.64778
   77    76 S   HC   _H6_    58     1.09466   110.99749   -60.28869
   78    76 S   HC   _H7_    59     1.09448   110.25624   179.96044
   79    76 S   HC   _H8_    60     1.09469   111.02322    60.23651
   80    74 S   CT   _C20    76     1.50156   127.91368    -0.13270
   81    80 S   HC   _H27    77     1.09683   108.22370  -131.10425
   82    80 S   HC   _H28    78     1.09380   111.92696   -14.38853
   83    80 S   CT   _C21    79     1.53049   110.71320   108.49394
   84    83 S   HC   _H29    80     1.09787   109.54264   -60.52758
   85    83 S   HC   _H30    81     1.09775   109.78902    56.29600
   86    83 S   CT   _C22    82     1.52566   111.67832   177.92670
   87    86 S   HC   _H31    83     1.09717   109.40037    54.79165
   88    86 S   HC   _H32    84     1.09660   109.73746   -62.74576
   89    86 S   CO3  _C23    85     1.53022   114.51072   175.98775
   90    89 S   O2Z  _O34    86     1.26588   114.43211  -166.70845
   91    89 S   O2Z  _O33    87     1.26161   116.97586    12.07832
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  11   5   4  11   6   7   3  10   6   3   1
   8   4   9   4   2   1   9   5   4   7   4   9   5   4   7   4
   3   9   5   4   7   3   6   5   4   8   4   3   2   1   1   9
   5   4   8   5   4   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    41    42    45    46    51    53    47    48  
   38    39    40    43    41    42    45    47  
   36    37  
   37  
    0  
   39    40    43    44    49    50    55    41    42    45    47  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    51    52    58    53    54    47    48    43  
   45    46    51    53    47    48  
   44    49    50    55    56    57    60  
   49    50    55  
   46    51    52    58    59    63    53    54    47    48  
   51    52    58    53    54    47  
   48    51    53  
    0  
   50    55    56    57    60    61    62    66  
   55    56    57    60  
   52    58    59    63    64    65    69    53    54  
   58    59    63    53  
   54    58  
    0  
   56    57    60    61    62    66    67    68    71  
   57    60    61    62    66  
   60    61    62    66  
   59    63    64    65    69    70    74  
   63    64    65    69  
   61    62    66    67    68    71    72    73    76  
   62    66    67    68    71  
   66    67    68    71  
   64    65    69    70    74    75    80  
   65    69    70    74  
   69    70    74  
   67    68    71    72    73    76    77    78    79  
   68    71    72    73    76  
   71    72    73    76  
   70    74    75    80    81    82    83  
   74    75    80  
   72    73    76    77    78    79  
   73    76    77    78    79  
   76    77    78    79  
   75    80    81    82    83    84    85    86  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    51   317.000  1.510
   45    53   320.000  1.410
   51    52   340.000  1.080
   51    58   549.000  1.340
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.510
   69    70   340.000  1.080
   69    74   549.000  1.340
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
   53    54   553.000  0.945
   47    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   33    41    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  117.00000
   38    43    49    70.00000  124.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    35.00000  120.00000
   43    49    55    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    60    70.00000  112.02700
   55    49    50    35.00000  117.00000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    66    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    76    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    51    70.00000  112.02700
   41    45    53    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    51    52    35.00000  117.00000
   45    51    58    70.00000  124.00000
   45    53    54    55.00000  108.50000
   51    45    46    35.00000  109.50000
   51    58    59    35.00000  120.00000
   51    58    63    70.00000  124.00000
   58    51    52    35.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    70.00000  110.12100
   63    58    59    35.00000  117.00000
   63    69    70    35.00000  117.00000
   63    69    74    70.00000  124.00000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    74    75    35.00000  120.00000
   69    74    80    70.00000  124.00000
   74    69    70    35.00000  120.00000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    70.00000  112.02700
   80    74    75    35.00000  117.00000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    70.00000  117.00000
   86    89    91    70.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   91    89    90    80.00000  126.00000
   53    45    46    35.00000  109.50000
   53    45    51    90.00000  110.39200
   47    41    42    35.00000  109.50000
   47    41    45    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    38    43    44   0.00000  1.0 1.0
   33    38    43    49   0.09850  1.0 1.0
   33    38    43    49   0.15250 -1.0 2.0
   33    38    43    49  -0.50650  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    51   0.34400  1.0 1.0
   33    41    45    51   0.09450 -1.0 2.0
   33    41    45    51   0.11100  1.0 3.0
   33    41    45    53   0.86500  1.0 1.0
   33    41    45    53  -0.17500 -1.0 2.0
   33    41    45    53   0.20800  1.0 3.0
   33    41    47    48  -0.11600  1.0 1.0
   33    41    47    48  -0.09450 -1.0 2.0
   33    41    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    47   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    47   0.86500  1.0 1.0
   38    33    41    47  -0.17500 -1.0 2.0
   38    33    41    47   0.20800  1.0 3.0
   38    43    49    50   7.00000 -1.0 2.0
   38    43    49    55   7.00000 -1.0 2.0
   39    38    43    44   0.33100  1.0 3.0
   39    38    43    49   0.00000  1.0 1.0
   40    38    43    44   0.33100  1.0 3.0
   40    38    43    49   0.00000  1.0 1.0
   43    49    55    56   0.00000  1.0 1.0
   43    49    55    57   0.00000  1.0 1.0
   43    49    55    60   0.09850  1.0 1.0
   43    49    55    60   0.15250 -1.0 2.0
   43    49    55    60  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    55   7.00000 -1.0 2.0
   49    55    60    61   0.15000  1.0 3.0
   49    55    60    62   0.15000  1.0 3.0
   49    55    60    66   0.34400  1.0 1.0
   49    55    60    66   0.09450 -1.0 2.0
   49    55    60    66   0.11100  1.0 3.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    57   0.33100  1.0 3.0
   50    49    55    60   0.00000  1.0 1.0
   55    60    66    67   0.15000  1.0 3.0
   55    60    66    68   0.15000  1.0 3.0
   55    60    66    71   0.56750  1.0 1.0
   55    60    66    71  -0.07550 -1.0 2.0
   55    60    66    71   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    66   0.15000  1.0 3.0
   60    66    71    72   0.15000  1.0 3.0
   60    66    71    73   0.15000  1.0 3.0
   60    66    71    76   0.56750  1.0 1.0
   60    66    71    76  -0.07550 -1.0 2.0
   60    66    71    76   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    71   0.15000  1.0 3.0
   66    71    76    77   0.15000  1.0 3.0
   66    71    76    78   0.15000  1.0 3.0
   66    71    76    79   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    76   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    76   0.15000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    79   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.34400  1.0 1.0
   41    33    38    43   0.09450 -1.0 2.0
   41    33    38    43   0.11100  1.0 3.0
   41    45    51    52   0.00000  1.0 1.0
   41    45    51    58   0.09850  1.0 1.0
   41    45    51    58   0.15250 -1.0 2.0
   41    45    51    58  -0.50650  1.0 3.0
   41    45    53    54  -0.11600  1.0 1.0
   41    45    53    54  -0.09450 -1.0 2.0
   41    45    53    54   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    51   0.15000  1.0 3.0
   42    41    45    53   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    51    58    59   7.00000 -1.0 2.0
   45    51    58    63   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    58   0.00000  1.0 1.0
   46    45    53    54   0.19450  1.0 3.0
   51    45    53    54  -0.07800  1.0 1.0
   51    45    53    54  -0.21500 -1.0 2.0
   51    45    53    54  -0.03150  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    65   0.00000  1.0 1.0
   51    58    63    69  -0.28300  1.0 1.0
   51    58    63    69   0.26700 -1.0 2.0
   51    58    63    69  -0.63300  1.0 3.0
   52    51    58    59   7.00000 -1.0 2.0
   52    51    58    63   7.00000 -1.0 2.0
   58    63    69    70   0.00000  1.0 1.0
   58    63    69    74  -0.28300  1.0 1.0
   58    63    69    74   0.26700 -1.0 2.0
   58    63    69    74  -0.63300  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    69   0.00000  1.0 1.0
   63    69    74    75   7.00000 -1.0 2.0
   63    69    74    80   7.00000 -1.0 2.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    74   0.00000  1.0 1.0
   65    63    69    70   0.33100  1.0 3.0
   65    63    69    74   0.00000  1.0 1.0
   69    74    80    81   0.00000  1.0 1.0
   69    74    80    82   0.00000  1.0 1.0
   69    74    80    83   0.09850  1.0 1.0
   69    74    80    83   0.15250 -1.0 2.0
   69    74    80    83  -0.50650  1.0 3.0
   70    69    74    75   7.00000 -1.0 2.0
   70    69    74    80   7.00000 -1.0 2.0
   74    80    83    84   0.15000  1.0 3.0
   74    80    83    85   0.15000  1.0 3.0
   74    80    83    86   0.34400  1.0 1.0
   74    80    83    86   0.09450 -1.0 2.0
   74    80    83    86   0.11100  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.33100  1.0 3.0
   75    74    80    83   0.00000  1.0 1.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89  -1.63150  1.0 1.0
   80    83    86    89  -0.43550 -1.0 2.0
   80    83    86    89   0.24500  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   83    86    89    90   0.41150 -1.0 2.0
   83    86    89    91   0.41150 -1.0 2.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89  -0.11250  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89  -0.11250  1.0 3.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   88    86    89    90   0.00000  1.0 1.0
   88    86    89    91   0.00000  1.0 1.0
   53    45    51    52   0.00000  1.0 1.0
   53    45    51    58   0.67800  1.0 1.0
   53    45    51    58   0.47050 -1.0 2.0
   53    45    51    58  -0.62500  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    51   1.05650  1.0 1.0
   47    41    45    51   0.15600 -1.0 2.0
   47    41    45    51   0.53150  1.0 3.0
   47    41    45    53   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
   36    30    35    37  10.50000 -1.0 2.0
   38    44    43    49  15.00000 -1.0 2.0
   55    50    49    43  15.00000 -1.0 2.0
   45    52    51    58  15.00000 -1.0 2.0
   63    59    58    51  15.00000 -1.0 2.0
   63    70    69    74  15.00000 -1.0 2.0
   80    75    74    69  15.00000 -1.0 2.0
   90    86    89    91  10.50000 -1.0 2.0
END
