* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    170    259     505
    1     0 S   NP   _N1_     1    31.48996   103.48481   -17.55464
    2     1 S   H    _HN1     2     1.03487    70.30165   123.69030
    3     1 S   H    _H1_     3     1.02729   174.67126   178.23708
    4     1 S   H    _H2_     4     1.02868    69.00400  -118.06403
    5     1 S   CT   _CA1     5     1.49922    72.74963     3.22968
    6     5 S   HC   _HA1     6     1.09373   105.25635   113.07076
    7     5 S   CO3  _C1_     7     1.53738   112.50127    -7.07196
    8     7 S   O2Z  _O11     8     1.26396   115.03417   -45.37413
    9     7 S   O2Z  _O12     9     1.26264   114.97958   134.14408
   10     5 S   CT   _CB1    10     1.53093   107.66625  -129.27899
   11    10 S   HC   HB11    11     1.09816   109.56475   -48.52054
   12    10 S   HC   HB12    12     1.09812   110.47958    67.95598
   13    10 S   CT   _CG1    13     1.53045   112.50012  -169.68876
   14    13 S   HC   HG11    14     1.09540   111.29397   -61.59780
   15    13 S   HC   HG12    15     1.09642   110.57105    57.53070
   16    13 S   C    _CD1    16     1.51431   110.44491   178.75416
   17    16 S   O    _OE1    17     1.22843   121.72769    95.90800
   18    16 S   N    _N2_    18     1.38339   113.01555   -82.75980
   19    18 S   H    _HN2    19     1.01541   119.10566     3.39304
   20    18 S   CT1  _CA2    20     1.45957   122.73639   175.80773
   21    20 S   HC   _HA2    21     1.09706   109.10061    23.91935
   22    20 S   C    _C2_    22     1.52909   106.49877   -93.27319
   23    22 S   O    _O2_    23     1.23013   122.90865   -29.30338
   24    20 S   CT   _CB2    32     1.53255   112.15699   147.44140
   25    24 S   HC   HB21    33     1.09297   109.10989    54.16807
   26    24 S   HC   HB22    34     1.09476   110.20700   172.67724
   27    22 S   N    _N3_    24     1.38447   112.67627   153.49378
   28    27 S   H    _HN3    25     1.01665   120.41449    -1.98268
   29    24 S   S    _SG2    35     1.82846   110.76794   -67.27400
   30    27 S   CT   _CA3    26     1.45362   122.40792   178.59472
   31    30 S   HC   HA31    27     1.09569   107.62657   -59.24382
   32    30 S   HC   HA32    28     1.09566   107.76499    57.05360
   33    29 S   CT   _C11    36     1.85442   101.87183   167.14339
   34    33 S   HC   _H3_    37     1.09402   104.72219  -176.94802
   35    30 S   CO3  _C3_    29     1.52879   114.39935   178.88706
   36    35 S   O2Z  _O31    30     1.26320   116.07970    -2.66065
   37    35 S   O2Z  _O32    31     1.26445   114.39573   177.39782
   38    33 S   CM   _C10    38     1.51284   108.09923    65.35334
   39    38 S   HC   _H18    39     1.09207   114.44187   -80.71387
   40    33 S   CT   _C12    58     1.55732   114.11066   -59.91215
   41    40 S   HC   _H4_    59     1.09650   108.73693    66.99743
   42    38 S   CMA  _C9_    40     1.35339   129.01051   101.53982
   43    42 S   OM   _O37    41     1.26316   128.39674   178.28297
   44    40 S   CT   _C16    60     1.55702   113.30422   -55.53617
   45    44 S   HC   _H6_    61     1.09307   111.79781    17.09515
   46    42 S   CT   _C8_    42     1.52991   120.44782    -3.66842
   47    46 S   HC   _H16    43     1.10107   110.86184  -143.95360
   48    46 S   HC   _H17    44     1.09715   110.42451   -29.49670
   49    44 S   CO4  _C15    62     1.51693   102.61084   -97.99140
   50    49 S   O    _O33    63     1.22560   123.97400   172.74231
   51    44 S   CT   _C17    71     1.53340   112.23017   141.45747
   52    51 S   HC   _H21    72     1.09712   108.86139   -47.18129
   53    51 S   HC   _H22    73     1.09636   110.95309    70.55359
   54    46 S   CT   _C7_    45     1.53597   112.67027    93.26160
   55    54 S   HC   _H14    46     1.09563   109.93589   -54.66153
   56    54 S   HC   _H15    47     1.09713   109.89894    62.72512
   57    49 S   CT   _C14    64     1.50294   112.96502    -5.49612
   58    57 S   HC   _H19    65     1.09295   108.17257   102.34476
   59    57 S   HC   _H20    66     1.09278   110.23260  -135.85193
   60    51 S   CT   _C18    74     1.53272   112.36083  -167.11054
   61    60 S   HC   _H23    75     1.09549   110.10400   -68.34176
   62    60 S   HC   _H24    76     1.09691   109.61921    49.46232
   63    54 S   CT   _C6_    48     1.52984   111.28616  -175.97289
   64    63 S   HC   _H12    49     1.09686   109.56191    58.29904
   65    63 S   HC   _H13    50     1.09676   109.58775   -59.02673
   66    40 S   CT   _C13    67     1.54439   112.28218  -173.17875
   67    66 S   HC   _H5_    68     1.09334   114.18110   -35.33663
   68    60 S   CT   _C19    77     1.52959   111.15227   170.12572
   69    68 S   HC   _H25    78     1.09659   109.94189    58.56634
   70    68 S   HC   _H26    79     1.09715   109.15588   -58.74632
   71    63 S   CT   _C5_    51     1.52843   111.27868   179.54158
   72    71 S   HC   _H10    52     1.09630   109.85251   -58.76509
   73    71 S   HC   _H11    53     1.09621   109.87056    58.95985
   74    66 S   OH   _O36    69     1.42758   109.84324  -155.57914
   75    74 S   HO   _H33    70     0.97278   107.28870    66.42651
   76    68 S   CT   _C20    80     1.52914   111.30061  -179.74056
   77    76 S   HC   _H27    81     1.09650   109.45011    52.18315
   78    76 S   HC   _H28    82     1.09663   109.75383   -65.00107
   79    71 S   CT   _C4_    54     1.52028   111.49074  -179.88465
   80    79 S   HC   _H7_    55     1.09468   111.00117   -60.25572
   81    79 S   HC   _H8_    56     1.09449   110.26147  -179.98022
   82    79 S   HC   _H9_    57     1.09469   110.99887    60.26350
   83    76 S   CT   _C21    83     1.52894   111.16022   173.29855
   84    83 S   HC   _H29    84     1.09678   109.39227   -54.30052
   85    83 S   HC   _H30    85     1.09724   109.74748    62.08925
   86    83 S   CT   _C22    86     1.52443   111.36974  -176.28838
   87    86 S   HC   _H31    87     1.09578   110.70900   -67.91552
   88    86 S   HC   _H32    88     1.09630   111.03135    51.33897
   89    86 S   CO3  _C23    89     1.52681   108.21200   170.81414
   90    89 S   O2Z  _O35    90     1.26489   114.87785   -82.63115
   91    89 S   O2Z  _O34    91     1.26207   115.23531    97.58919
  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   9   5   4   3
  16   7   2   1   1  11   4  17   8   8   4  16   8   9   5   4
  11   5  11   5   4   9   5   4   6   4   3   9   5   4   9   5
   4   3   2   9   5   4   6   5   4   1   1   9   5   4   3   2
   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    66  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    57    66    67    74    51  
   38    39    42    40    41    44    66  
   36    37  
   37  
    0  
   39    42    43    46    47    48    54    40    41    44    66  
   42    43    46    40  
   41    44    45    49    50    57    58    59    66    67    74    75    51    52    53    60    42  
   44    45    49    57    66    67    74    51  
   43    46    47    48    54    55    56    63  
   46    47    48    54  
   45    49    50    57    58    59    66    67    74    51    52    53    60    61    62    68  
   49    50    57    66    51    52    53    60  
   47    48    54    55    56    63    64    65    71  
   48    54    55    56    63  
   54    55    56    63  
   50    57    58    59    66    67    74    51    52    53    60  
   57    58    59    66    51  
   52    53    60    61    62    68    69    70    76    57    66  
   53    60    61    62    68  
   60    61    62    68  
   55    56    63    64    65    71    72    73    79  
   56    63    64    65    71  
   63    64    65    71  
   58    59    66    67    74    75  
   59    66    67    74  
   66    67    74  
   61    62    68    69    70    76    77    78    83  
   62    68    69    70    76  
   68    69    70    76  
   64    65    71    72    73    79    80    81    82  
   65    71    72    73    79  
   71    72    73    79  
   67    74    75  
   74    75  
   69    70    76    77    78    83    84    85    86  
   70    76    77    78    83  
   76    77    78    83  
   72    73    79    80    81    82  
   73    79    80    81    82  
   79    80    81    82  
   75  
    0  
   77    78    83    84    85    86    87    88    89  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   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   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    66   268.000  1.529
   44    45   340.000  1.090
   44    49   317.000  1.522
   44    51   268.000  1.529
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   340.000  1.090
   66    74   320.000  1.410
   74    75   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    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
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    66    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    54    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    63    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    71    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    79    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    82    37.50000  110.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    49    63.00000  111.10000
   40    44    51    58.35000  112.70000
   40    66    57    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    66    74    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    80.00000  120.40000
   44    49    57    70.00000  116.00000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    60    58.35000  112.70000
   49    44    45    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   49    57    66    63.00000  111.10000
   57    49    50    80.00000  120.40000
   57    66    67    37.50000  110.70000
   57    66    74    50.00000  109.50000
   59    57    58    33.00000  107.80000
   66    40    41    37.50000  110.70000
   66    40    44    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    74    75    55.00000  108.50000
   74    66    67    35.00000  109.50000
   51    44    45    37.50000  110.70000
   51    44    49    63.00000  111.10000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    68    58.35000  112.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    76    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    83    58.35000  112.70000
   70    68    69    33.00000  107.80000
   76    68    69    37.50000  110.70000
   76    68    70    37.50000  110.70000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    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
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    49  -0.95700  1.0 1.0
   33    40    44    49  -0.18200 -1.0 2.0
   33    40    44    49   0.29450  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    66    57   0.56750  1.0 1.0
   33    40    66    57  -0.07550 -1.0 2.0
   33    40    66    57   0.20000  1.0 3.0
   33    40    66    67   0.15000  1.0 3.0
   33    40    66    74   0.86500  1.0 1.0
   33    40    66    74  -0.17500 -1.0 2.0
   33    40    66    74   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    66   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    66   0.34400  1.0 1.0
   38    33    40    66   0.09450 -1.0 2.0
   38    33    40    66   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.09850  1.0 1.0
   38    42    46    54   0.15250 -1.0 2.0
   38    42    46    54  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    54    55   0.15000  1.0 3.0
   42    46    54    56   0.15000  1.0 3.0
   42    46    54    63   0.34400  1.0 1.0
   42    46    54    63   0.09450 -1.0 2.0
   42    46    54    63   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    54   0.09700  1.0 1.0
   43    42    46    54   0.15600 -1.0 2.0
   43    42    46    54  -0.50800  1.0 3.0
   46    54    63    64   0.15000  1.0 3.0
   46    54    63    65   0.15000  1.0 3.0
   46    54    63    71   0.56750  1.0 1.0
   46    54    63    71  -0.07550 -1.0 2.0
   46    54    63    71   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    63   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    63   0.15000  1.0 3.0
   54    63    71    72   0.15000  1.0 3.0
   54    63    71    73   0.15000  1.0 3.0
   54    63    71    79   0.56750  1.0 1.0
   54    63    71    79  -0.07550 -1.0 2.0
   54    63    71    79   0.20000  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    71   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    71   0.15000  1.0 3.0
   63    71    79    80   0.15000  1.0 3.0
   63    71    79    81   0.15000  1.0 3.0
   63    71    79    82   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    79   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    79   0.15000  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    81   0.15000  1.0 3.0
   72    71    79    82   0.15000  1.0 3.0
   73    71    79    80   0.15000  1.0 3.0
   73    71    79    81   0.15000  1.0 3.0
   73    71    79    82   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   0.30150 -1.0 2.0
   40    44   -49    57   0.60050  1.0 1.0
   40    44   -49    57   0.05600 -1.0 2.0
   40    44   -49    57   0.26150  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    60   0.56750  1.0 1.0
   40    44    51    60  -0.07550 -1.0 2.0
   40    44    51    60   0.20000  1.0 3.0
   40    66    74    75  -0.11600  1.0 1.0
   40    66    74    75  -0.09450 -1.0 2.0
   40    66    74    75   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49  -0.11250  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    66    57   0.15000  1.0 3.0
   41    40    66    67   0.15000  1.0 3.0
   41    40    66    74   0.23400  1.0 3.0
   44    40   -66    57   0.56750  1.0 1.0
   44    40   -66    57  -0.07550 -1.0 2.0
   44    40   -66    57   0.20000  1.0 3.0
   44    40    66    67   0.15000  1.0 3.0
   44    40    66    74   0.86500  1.0 1.0
   44    40    66    74  -0.17500 -1.0 2.0
   44    40    66    74   0.20800  1.0 3.0
   44    49    57    58   0.00000  1.0 1.0
   44    49    57    59   0.00000  1.0 1.0
   44    49   -57    66   0.60050  1.0 1.0
   44    49   -57    66   0.05600 -1.0 2.0
   44    49   -57    66   0.26150  1.0 3.0
   44    51    60    61   0.15000  1.0 3.0
   44    51    60    62   0.15000  1.0 3.0
   44    51    60    68   0.56750  1.0 1.0
   44    51    60    68  -0.07550 -1.0 2.0
   44    51    60    68   0.20000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    57   0.00000  1.0 1.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    60   0.15000  1.0 3.0
   49    44    51    52  -0.11250  1.0 3.0
   49    44    51    53  -0.11250  1.0 3.0
   49    44    51    60  -0.95700  1.0 1.0
   49    44    51    60  -0.18200 -1.0 2.0
   49    44    51    60   0.29450  1.0 3.0
   49    57   -66    40  -0.95700  1.0 1.0
   49    57   -66    40  -0.18200 -1.0 2.0
   49    57   -66    40   0.29450  1.0 3.0
   49    57    66    67  -0.11250  1.0 3.0
   49    57    66    74  -0.09450  1.0 1.0
   49    57    66    74  -1.12950 -1.0 2.0
   49    57    66    74   0.54000  1.0 3.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    59   0.00000  1.0 1.0
   50    49    57    66   0.30150 -1.0 2.0
   57    66    74    75  -0.11600  1.0 1.0
   57    66    74    75  -0.09450 -1.0 2.0
   57    66    74    75   0.21250  1.0 3.0
   58    57    66    40   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    74   0.23400  1.0 3.0
   59    57    66    40   0.15000  1.0 3.0
   59    57    66    67   0.15000  1.0 3.0
   59    57    66    74   0.23400  1.0 3.0
   66    40    44    45   0.15000  1.0 3.0
   66    40   -44    49  -0.95700  1.0 1.0
   66    40   -44    49  -0.18200 -1.0 2.0
   66    40   -44    49   0.29450  1.0 3.0
   66    40    44    51   0.56750  1.0 1.0
   66    40    44    51  -0.07550 -1.0 2.0
   66    40    44    51   0.20000  1.0 3.0
   67    66    74    75   0.19450  1.0 3.0
   51    44    49    50   0.30150 -1.0 2.0
   51    44    49    57   0.60050  1.0 1.0
   51    44    49    57   0.05600 -1.0 2.0
   51    44    49    57   0.26150  1.0 3.0
   51    60    68    69   0.15000  1.0 3.0
   51    60    68    70   0.15000  1.0 3.0
   51    60    68    76   0.56750  1.0 1.0
   51    60    68    76  -0.07550 -1.0 2.0
   51    60    68    76   0.20000  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    68   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    68   0.15000  1.0 3.0
   60    68    76    77   0.15000  1.0 3.0
   60    68    76    78   0.15000  1.0 3.0
   60    68    76    83   0.56750  1.0 1.0
   60    68    76    83  -0.07550 -1.0 2.0
   60    68    76    83   0.20000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    76   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    76   0.15000  1.0 3.0
   68    76    83    84   0.15000  1.0 3.0
   68    76    83    85   0.15000  1.0 3.0
   68    76    83    86   0.56750  1.0 1.0
   68    76    83    86  -0.07550 -1.0 2.0
   68    76    83    86   0.20000  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    83   0.15000  1.0 3.0
   70    68    76    77   0.15000  1.0 3.0
   70    68    76    78   0.15000  1.0 3.0
   70    68    76    83   0.15000  1.0 3.0
   76    83    86    87   0.15000  1.0 3.0
   76    83    86    88   0.15000  1.0 3.0
   76    83    86    89  -1.63150  1.0 1.0
   76    83    86    89  -0.43550 -1.0 2.0
   76    83    86    89   0.24500  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    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
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
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   44    57    49    50  10.50000 -1.0 2.0
   90    86    89    91  10.50000 -1.0 2.0
END
