* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    166    250     478
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02130    90.09892   -68.94040
    3     1 S   H    _H1_     3     1.02093    90.45190    39.78859
    4     1 S   H    _H2_     4     1.02085    32.85641   165.19399
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.80776    98.61927  -178.16656
   34    33 S   HC   _H25    37     1.09272   109.27617    40.68858
   35    33 S   HC   _H26    38     1.09204   109.43380   159.01952
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C20    39     1.49058   109.99732   -80.00300
   40    39 S   CM   _C21    40     1.33643   128.53295   120.34439
   41    40 S   OS   _O37    41     1.38533   115.23483  -175.78300
   42    40 S   OH   _O38    88     1.37134   125.94796     2.37026
   43    42 S   HO   _H24    89     0.96676   110.46034   180.00000
   44    41 S   CT   _C11    42     1.44475   104.84198   -10.28799
   45    44 S   HC   _H4_    43     1.09592   106.21910  -102.72287
   46    39 S   CT   _C12    44     1.50642   122.04174   -55.03761
   47    46 S   HC   _H5_    45     1.09844   106.69305    69.85197
   48    44 S   C3T  _C10    61     1.50014   108.08945   137.52008
   49    48 S   HC   _H3_    62     1.08160   114.23441   -92.12267
   50    46 S   CT   _C13    46     1.55168   113.32276   -48.44162
   51    50 S   HC   _H6_    47     1.12070   106.80853    48.27054
   52    82 S   O3T  _O33    63     1.42617   118.39385  -157.66238
   53    50 S   CT   _C14    48     1.54847   116.93863   163.40300
   54    53 S   HC   _H15    49     1.09792   107.50347   -61.97225
   55    53 S   HC   _H16    50     1.09893   108.34942  -175.38518
   56    50 S   OS   _O34    73     1.42422   112.36744   -66.12630
   57    53 S   CM   _C5_    51     1.51289   117.87569    62.46394
   58    56 S   CO4  _C15    74     1.36460   115.84348   145.57121
   59    58 S   O    _O35    75     1.22251   125.70999     0.01978
   60    57 S   CM   _C6_    52     1.34933   120.09703  -107.26550
   61    60 S   HC   _H10    53     1.08862   118.58304    -1.24757
   62    57 S   CT   _C4_    69     1.50496   116.33811    73.04736
   63    62 S   HC   _H7_    70     1.08506   109.16526   -90.37796
   64    62 S   HC   _H8_    71     1.08626   109.16006   149.48152
   65    62 S   HC   _H9_    72     1.08590   109.17549    29.85988
   66    58 S   CM   _C16    76     1.49389   109.57819  -179.72876
   67    60 S   CT   _C7_    54     1.50816   126.26296   169.38884
   68    67 S   HC   _H11    55     1.09397   112.18218    22.19893
   69    67 S   HC   _H12    56     1.09620   109.02526   139.08041
   70    66 S   CM   _C17    77     1.34643   115.84682  -150.30863
   71    70 S   HC   _H17    78     1.08869   119.27208    -0.01978
   72    66 S   CT   _C19    84     1.50013   118.30802    28.34621
   73    72 S   HC   _H21    85     1.09454   110.34508   -88.46727
   74    72 S   HC   _H22    86     1.09622   110.53468   151.53643
   75    72 S   HC   _H23    87     1.09214   113.05517    32.64643
   76    67 S   CT   _C8_    57     1.54004   110.85518  -100.32255
   77    76 S   HC   _H13    58     1.09574   109.53370   171.34901
   78    76 S   HC   _H14    59     1.09748   109.35597   -72.28714
   79    70 S   CT   _C18    79     1.49714   127.10357  -179.45932
   80    79 S   HC   _H18    80     1.09144   113.62278    -0.02798
   81    79 S   HC   _H19    81     1.09499   109.62589  -122.05578
   82    76 S   C3T  _C9_    60     1.49765   110.68315    49.69320
   83    79 S   OH   _O36    82     1.42307   108.49673   119.82071
   84    83 S   HO   _H20    83     0.97057   106.67123   179.93439
   85    82 S   CT   _C23    64     1.49218   115.98450    68.46751
   86    85 S   HC   _H27    65     1.10199   111.59267   -39.97547
   87    85 S   HC   _H28    66     1.10186   111.58938  -160.93324
   88    85 S   OH   _O39    67     1.42697   109.82937    79.53752
   89    88 S   HO   _H29    68     0.96842   106.50230  -180.00000
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  13   7  13   5  12
   4  11   6   9  12   5   4   6  10   9   3  12   5   4   2   1
   1  10   7   5   4  10   5   4   2   1   1   7   3   2   4   3
   2   5   1   1   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    50    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    50    51    53    48    56    42    43  
   41    44    45    46    47    50    48    42    43  
   44    45    46    47    50    82    48    49    52    42    43  
   43    44    46  
    0  
   45    46    47    50    51    53    76    82    48    49    52    85    56  
   46    47    50    82    48    49    52  
   47    50    51    53    54    55    57    82    48    49    52    56    58  
   50    51    53    48    56  
   49    52    85    86    87    88    50    67    76    77    78    82  
   52    85    76    82  
   51    53    54    55    57    60    62    56    58    59    66  
   53    54    55    57    56    58  
   85    86    87    88    67    76    77    78    82  
   54    55    57    60    61    67    62    63    64    65    56    58  
   55    57    60    62    56  
   57    60    62    56  
   58    59    66    70    72    57  
   60    61    67    68    69    76    62    63    64    65  
   59    66    70    71    79    72    73    74    75  
   66    70    72  
   61    67    68    69    76    77    78    82    62    63    64    65  
   67    68    69    76    62  
   63    64    65    67  
   64    65  
   65  
    0  
   70    71    79    80    81    83    72    73    74    75  
   68    69    76    77    78    82    85  
   69    76    77    78    82  
   76    77    78    82  
   71    79    80    81    83    84    72    73    74    75  
   79    80    81    83    72  
   73    74    75    79  
   74    75  
   75  
    0  
   77    78    82    85    86    87    88  
   78    82    85  
   82    85  
   80    81    83    84  
   81    83    84  
   83    84  
   85    86    87    88    89  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   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   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    62   317.000  1.510
   60    61   340.000  1.080
   60    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   275.000  1.510
   82    48   260.000  1.509
   82    52   335.000  1.432
   82    85   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    66   320.000  1.462
   66    70   549.000  1.340
   66    72   317.000  1.510
   70    71   340.000  1.080
   70    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   320.000  1.410
   83    84   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   42    43   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    50    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    82    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    62    65.00000  117.92700
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    67    70.00000  124.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    76    70.00000  112.02700
   67    60    61    35.00000  117.00000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    82    70.00000  112.37300
   69    67    68    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    69    37.50000  110.70000
   76    82    48    60.00000  120.94000
   76    82    52    80.00000  116.47100
   76    82    85    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    45.00000  109.38400
   82    76    78    45.00000  109.38400
   82    48    49    37.50000  117.20000
   82    48    52    15.00000   60.43100
   82    52    48    15.00000   59.14900
   82    85    86    45.00000  109.38400
   82    85    87    45.00000  109.38400
   82    85    88    50.00000  109.50000
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    82    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   85    82    48    60.00000  120.94000
   85    82    52    80.00000  116.47100
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   62    57    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    66    90.00000  111.29400
   58    66    70    65.00000  118.96000
   58    66    72    65.00000  116.34900
   66    58    59    80.00000  123.72100
   66    70    71    35.00000  120.00000
   66    70    79    70.00000  124.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   70    79    80    35.00000  109.50000
   70    79    81    35.00000  109.50000
   70    79    83    90.00000  110.39200
   79    70    71    35.00000  117.00000
   79    83    84    55.00000  108.50000
   81    79    80    33.00000  107.80000
   83    79    80    35.00000  109.50000
   83    79    81    35.00000  109.50000
   72    66    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   42    40    41   115.00000  116.36000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    50   0.46850  1.0 1.0
   33    39    46    50   0.08550 -1.0 2.0
   33    39    46    50   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.34400  1.0 1.0
   39    46    50    53   0.09450 -1.0 2.0
   39    46    50    53   0.11100  1.0 3.0
   39    46    50    56   0.61850  1.0 1.0
   39    46    50    56  -0.22750 -1.0 2.0
   39    46    50    56   0.15300  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    50   0.09850  1.0 1.0
   40    39    46    50   0.15250 -1.0 2.0
   40    39    46    50  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.62750  1.0 1.0
   41    44    46    50  -0.30950 -1.0 2.0
   41    44    46    50   0.27300  1.0 3.0
   41    44    48    82  -0.26800  1.0 1.0
   41    44    48    82   0.69150 -1.0 2.0
   41    44    48    82  -0.48750  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   41    44    48    52   1.11900  1.0 1.0
   41    44    48    52  -1.16350 -1.0 2.0
   41    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    82   0.06250  1.0 1.0
   44    48   -52    82  -0.01100 -1.0 2.0
   44    48   -52    82   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    82   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    48    82   0.07850  1.0 1.0
   46    44    48    82  -0.03950 -1.0 2.0
   46    44    48    82   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    62   0.46850  1.0 1.0
   50    53    57    62   0.08550 -1.0 2.0
   50    53    57    62   0.09800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    66   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    67   7.00000 -1.0 2.0
   53    57    62    63   0.34800  1.0 3.0
   53    57    62    64   0.34800  1.0 3.0
   53    57    62    65   0.34800  1.0 3.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    62   0.34800  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    62   0.34800  1.0 3.0
   57    60    67    68   0.00000  1.0 1.0
   57    60    67    69   0.00000  1.0 1.0
   57    60    67    76   0.09850  1.0 1.0
   57    60    67    76   0.15250 -1.0 2.0
   57    60    67    76  -0.50650  1.0 3.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    65   0.00000  1.0 1.0
   60    67    76    77   0.15000  1.0 3.0
   60    67    76    78   0.15000  1.0 3.0
   60    67    76    82   0.34400  1.0 1.0
   60    67    76    82   0.09450 -1.0 2.0
   60    67    76    82   0.11100  1.0 3.0
   61    60    67    68   0.33100  1.0 3.0
   61    60    67    69   0.33100  1.0 3.0
   61    60    67    76   0.00000  1.0 1.0
   67    76    82    48   0.07850  1.0 1.0
   67    76    82    48  -0.03950 -1.0 2.0
   67    76    82    48   0.67350  1.0 3.0
   67    76    82    52   0.02550  1.0 1.0
   67    76    82    52  -0.02600 -1.0 2.0
   67    76    82    52   1.20400  1.0 3.0
   67    76    82    85   0.56750  1.0 1.0
   67    76    82    85  -0.07550 -1.0 2.0
   67    76    82    85   0.20000  1.0 3.0
   68    67    76    77   0.15000  1.0 3.0
   68    67    76    78   0.15000  1.0 3.0
   68    67    76    82   0.15000  1.0 3.0
   69    67    76    77   0.15000  1.0 3.0
   69    67    76    78   0.15000  1.0 3.0
   69    67    76    82   0.15000  1.0 3.0
   76    82    48    44   0.56750  1.0 1.0
   76    82    48    44  -0.07550 -1.0 2.0
   76    82    48    44   0.20000  1.0 3.0
   76    82    48    49   0.15000  1.0 3.0
   76    82   -48    52   0.02550  1.0 1.0
   76    82   -48    52  -0.02600 -1.0 2.0
   76    82   -48    52   1.20400  1.0 3.0
   76    82   -52    48   0.06250  1.0 1.0
   76    82   -52    48  -0.01100 -1.0 2.0
   76    82   -52    48   0.28050  1.0 3.0
   76    82    85    86   0.15000  1.0 3.0
   76    82    85    87   0.15000  1.0 3.0
   76    82    85    88   0.86500  1.0 1.0
   76    82    85    88  -0.17500 -1.0 2.0
   76    82    85    88   0.20800  1.0 3.0
   77    76    82    48   0.15000  1.0 3.0
   77    76    82    52   0.23400  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    48   0.15000  1.0 3.0
   78    76    82    52   0.23400  1.0 3.0
   78    76    82    85   0.15000  1.0 3.0
   82    85    88    89  -0.11600  1.0 1.0
   82    85    88    89  -0.09450 -1.0 2.0
   82    85    88    89   0.21250  1.0 3.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    82    85    86   0.15000  1.0 3.0
   48    82    85    87   0.15000  1.0 3.0
   48    82    85    88   0.86500  1.0 1.0
   48    82    85    88  -0.17500 -1.0 2.0
   48    82    85    88   0.20800  1.0 3.0
   49    48   -52    82   0.36800  1.0 3.0
   52    82   -48    44   0.02550  1.0 1.0
   52    82   -48    44  -0.02600 -1.0 2.0
   52    82   -48    44   1.20400  1.0 3.0
   52    82   -48    49   0.23400  1.0 3.0
   52    82    85    86   0.23400  1.0 3.0
   52    82    85    87   0.23400  1.0 3.0
   52    82    85    88   3.69350  1.0 1.0
   52    82    85    88  -1.82950 -1.0 2.0
   85    82    48    44   0.56750  1.0 1.0
   85    82    48    44  -0.07550 -1.0 2.0
   85    82    48    44   0.20000  1.0 3.0
   85    82    48    49   0.15000  1.0 3.0
   85    82   -48    52   0.02550  1.0 1.0
   85    82   -48    52  -0.02600 -1.0 2.0
   85    82   -48    52   1.20400  1.0 3.0
   85    82   -52    48   0.06250  1.0 1.0
   85    82   -52    48  -0.01100 -1.0 2.0
   85    82   -52    48   0.28050  1.0 3.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    67   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    66    70  -0.56150  1.0 1.0
   56    58    66    70   2.19150 -1.0 2.0
   56    58    66    72  -0.15000  1.0 1.0
   56    58    66    72   0.89550 -1.0 2.0
   56    58    66    72  -0.06900  1.0 3.0
   58    66    70    71   7.00000 -1.0 2.0
   58    66    70    79   7.00000 -1.0 2.0
   58    66    72    73   0.15000  1.0 3.0
   58    66    72    74   0.15000  1.0 3.0
   58    66    72    75   0.15000  1.0 3.0
   59    58    66    70   1.00000 -1.0 2.0
   59    58    66    72  -0.64400  1.0 1.0
   59    58    66    72   0.26850 -1.0 2.0
   66    70    79    80   0.00000  1.0 1.0
   66    70    79    81   0.00000  1.0 1.0
   66    70    79    83   0.67800  1.0 1.0
   66    70    79    83   0.47050 -1.0 2.0
   66    70    79    83  -0.62500  1.0 3.0
   70    66    72    73   0.00000  1.0 1.0
   70    66    72    74   0.00000  1.0 1.0
   70    66    72    75   0.00000  1.0 1.0
   70    79    83    84  -0.07800  1.0 1.0
   70    79    83    84  -0.21500 -1.0 2.0
   70    79    83    84  -0.03150  1.0 3.0
   71    70    79    80   0.33100  1.0 3.0
   71    70    79    81   0.33100  1.0 3.0
   71    70    79    83   0.00000  1.0 1.0
   80    79    83    84   0.19450  1.0 3.0
   81    79    83    84   0.19450  1.0 3.0
   72    66    70    71   7.00000 -1.0 2.0
   72    66    70    79   7.00000 -1.0 2.0
   42    40    41    44   2.00000 -1.0 2.0
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
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   53    62    57    60   1.10000 -1.0 2.0
   67    61    60    57   1.10000 -1.0 2.0
   56    66    58    59  10.50000 -1.0 2.0
   58    72    66    70  15.00000 -1.0 2.0
   79    71    70    66  15.00000 -1.0 2.0
END
