* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    145    212     422
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    97.99322   -54.04430
    3     1 S   H    _H1_     3     1.02065    81.02541    53.73097
    4     1 S   H    _H2_     4     1.02128    35.51692  -165.09277
    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     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   _C19    36     1.85348   100.58527   179.97202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C18    37     1.54276   109.37395   159.97994
   38    37 S   HC   _H16    38     1.09617   110.32610   179.36696
   39    37 S   HC   _H17    39     1.09827   110.22595    60.04271
   40    33 S   OH   _O38    75     1.42657   111.38900    39.24773
   41    40 S   HO   _H18    76     0.97166   107.11202    60.86494
   42    33 S   S    _S1_    77     1.85771   107.74120   -82.12703
   43    37 S   CO4  _C17    40     1.52951   115.52485   -62.08397
   44    43 S   O    _O37    41     1.23082   122.75666   -35.60736
   45    42 S   CT   _C20    78     1.81165   100.81585   161.61349
   46    45 S   HC   _H19    79     1.09275   109.85564   179.98022
   47    45 S   HC   _H20    80     1.09294   109.86636    60.07235
   48    45 S   HC   _H21    81     1.09223   109.88684   -59.92901
   49    43 S   CT   _C16    42     1.51365   116.54447   148.40069
   50    49 S   HC   _H14    43     1.09518   108.60950    90.00830
   51    49 S   HC   _H15    44     1.09477   108.15872   -26.63922
   52    49 S   CO4  _C15    45     1.51368   114.38328  -147.61469
   53    52 S   O    _O36    46     1.22962   122.00456   -61.25805
   54    52 S   CT   _C14    47     1.51954   115.64150   117.99924
   55    54 S   HC   _H12    48     1.09522   108.15438   150.02060
   56    54 S   HC   _H13    49     1.09452   108.18073    32.41713
   57    54 S   CT   _C13    50     1.53845   112.63862   -88.92645
   58    57 S   CM   _C8_    51     1.52173   112.41770   179.60336
   59    57 S   OH   _O39    73     1.43311   107.88704    61.83137
   60    59 S   HO   _H22    74     0.96713   106.12018    61.20195
   61    58 S   CMA  _C9_    52     1.35777   125.87095   130.89789
   62    61 S   OM   _O40    53     1.26586   131.24478  -178.84123
   63    58 S   CO4  _C7_    62     1.48165   116.64222   -50.73558
   64    63 S   O    _O34    63     1.22496   119.50959    93.49951
   65    61 S   CT   _C10    54     1.52379   119.41728     2.89597
   66    65 S   HC   _H8_    55     1.09196   110.67132   134.46646
   67    65 S   HC   _H9_    56     1.09283   110.59202  -103.99904
   68    63 S   CT   _C6_    64     1.50999   116.47376   -88.47945
   69    68 S   HC   _H6_    65     1.09632   109.45636     0.02798
   70    68 S   HC   _H7_    66     1.09587   107.20049  -118.17672
   71    65 S   CO4  _C11    57     1.51243   112.31410    15.01657
   72    71 S   O    _O35    58     1.22868   122.03886   138.61444
   73    68 S   CO4  _C5_    67     1.51521   115.70767   120.86064
   74    73 S   O    _O33    68     1.23013   122.90290    -4.06698
   75    57 S   CT   _C12    59     1.53473   107.74476   -54.60009
   76    75 S   HC   _H10    60     1.09662   111.28221    78.97556
   77    75 S   HC   _H11    61     1.09564   111.13218   -39.48481
   78    73 S   CT   _C4_    69     1.50682   116.15397   177.78866
   79    78 S   HC   _H3_    70     1.09250   109.58319    90.04380
   80    78 S   HC   _H4_    71     1.09361   109.73920   -29.35291
   81    78 S   HC   _H5_    72     1.09309   109.60126  -148.88480
  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
  13   2   1   1  12   6   5   4   1   5   7   4   3   2   1   1
   8   4   3   8   4  12   5   4  14  17   7   1  10   5   9   4
   7   4   3   8   4   3   4   3   5   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    49    40    41    42    45    46    47    48  
   35    36  
   36  
    0  
   38    39    43    44    49    50    51    52    40    41    42    45  
   39    43    44    49    40    42  
   43    44    49    40    42  
   41    42    45    43  
   42  
   45    46    47    48    43  
   44    49    50    51    52    53    54  
   49    50    51    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    57  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    75    59  
   54    55    56    57  
   55    56    57    58    61    71    75    76    77    63    59    60  
   56    57    58    75    59  
   57    58    75    59  
   58    61    62    65    71    72    75    76    77    63    64    68    59    60  
   61    62    65    66    67    71    75    76    77    63    64    68    69    70    73    59    60  
   60    61    63    71    75    76    77  
   75  
   62    65    66    67    71    72    75    63    64    68  
   65    66    67    71    63  
   64    68    69    70    73    74    78    65    75  
   68    69    70    73  
   66    67    71    72    75    76    77  
   67    71    72    75  
   71    72    75  
   69    70    73    74    78    79    80    81  
   70    73    74    78  
   73    74    78  
   72    75    76    77  
   75    76    77  
   74    78    79    80    81  
   78    79    80    81  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    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   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   320.000  1.410
   33    42   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.522
   52    53   570.000  1.229
   52    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   317.000  1.510
   57    75   268.000  1.529
   57    59   320.000  1.410
   58    61   465.000  1.376
   58    63   320.000  1.462
   61    62   745.000  1.250
   61    65   270.000  1.512
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.522
   71    72   570.000  1.229
   71    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   317.000  1.522
   73    74   570.000  1.229
   73    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   553.000  0.945
   40    41   553.000  0.945
   42    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    85.00000  114.68000
   29    33    42    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    55.00000  108.50000
   33    42    45    62.00000   98.90000
   37    43    44    80.00000  120.40000
   37    43    49    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    75.00000  107.99600
   49    43    44    80.00000  120.40000
   49    52    53    80.00000  120.40000
   49    52    54    70.00000  116.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    63.00000  111.10000
   54    52    53    80.00000  120.40000
   54    57    58    70.00000  112.02700
   54    57    75    58.35000  112.70000
   54    57    59    50.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    58    61    70.00000  124.00000
   57    58    63    65.00000  116.34900
   57    75    71    63.00000  111.10000
   57    75    76    37.50000  110.70000
   57    75    77    37.50000  110.70000
   57    59    60    55.00000  108.50000
   58    61    62    65.00000  137.10300
   58    61    65    65.00000  122.18000
   58    63    64    80.00000  123.72100
   58    63    68    65.00000  118.62400
   61    65    66    45.00000  110.52000
   61    65    67    45.00000  110.52000
   61    65    71    70.00000  109.06800
   65    61    62    85.00000  112.85300
   65    71    72    80.00000  120.40000
   65    71    75    70.00000  116.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   75    57    58    70.00000  112.02700
   75    71    72    80.00000  120.40000
   77    75    76    33.00000  107.80000
   63    58    61    60.00000  125.92000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    73    75.00000  107.99600
   68    63    64    80.00000  120.40000
   68    73    74    80.00000  120.40000
   68    73    78    70.00000  116.00000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   78    73    74    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    57    58    90.00000  110.39200
   59    57    75    50.00000  109.50000
   40    33    37    50.00000  109.50000
   42    33    37    75.00000  111.63000
   42    33    40    85.00000  114.68000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   29    33    42    45   0.08500  1.0 1.0
   29    33    42    45  -0.53150 -1.0 2.0
   29    33    42    45   0.48050  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    49   0.60050  1.0 1.0
   33    37    43    49   0.05600 -1.0 2.0
   33    37    43    49   0.26150  1.0 3.0
   33    42    45    46   0.32350  1.0 3.0
   33    42    45    47   0.32350  1.0 3.0
   33    42    45    48   0.32350  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    33    42    45   0.01700  1.0 1.0
   37    33    42    45  -0.23550 -1.0 2.0
   37    33    42    45   0.21350  1.0 3.0
   37    43    49    50   0.00000  1.0 1.0
   37    43    49    51   0.00000  1.0 1.0
   37    43    49    52   0.65300  1.0 1.0
   37    43    49    52  -0.03850 -1.0 2.0
   37    43    49    52   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    49   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    49   0.00000  1.0 1.0
   43    49    52    53   0.30150 -1.0 2.0
   43    49    52    54   0.65300  1.0 1.0
   43    49    52    54  -0.03850 -1.0 2.0
   43    49    52    54   0.33900  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    52   0.30150 -1.0 2.0
   49    52    54    55   0.00000  1.0 1.0
   49    52    54    56   0.00000  1.0 1.0
   49    52    54    57   0.60050  1.0 1.0
   49    52    54    57   0.05600 -1.0 2.0
   49    52    54    57   0.26150  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    57    58  -0.98800  1.0 1.0
   52    54    57    58   0.48800 -1.0 2.0
   52    54    57    58   0.76800  1.0 3.0
   52    54    57    75  -0.95700  1.0 1.0
   52    54    57    75  -0.18200 -1.0 2.0
   52    54    57    75   0.29450  1.0 3.0
   52    54    57    59  -0.09450  1.0 1.0
   52    54    57    59  -1.12950 -1.0 2.0
   52    54    57    59   0.54000  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.30150 -1.0 2.0
   54    57    58    61   0.09850  1.0 1.0
   54    57    58    61   0.15250 -1.0 2.0
   54    57    58    61  -0.50650  1.0 3.0
   54    57    58    63   0.09700  1.0 1.0
   54    57    58    63   0.15600 -1.0 2.0
   54    57    58    63  -0.50800  1.0 3.0
   54    57    75    71  -0.95700  1.0 1.0
   54    57    75    71  -0.18200 -1.0 2.0
   54    57    75    71   0.29450  1.0 3.0
   54    57    75    76   0.15000  1.0 3.0
   54    57    75    77   0.15000  1.0 3.0
   54    57    59    60  -0.11600  1.0 1.0
   54    57    59    60  -0.09450 -1.0 2.0
   54    57    59    60   0.21250  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    75   0.15000  1.0 3.0
   55    54    57    59   0.23400  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    75   0.15000  1.0 3.0
   56    54    57    59   0.23400  1.0 3.0
   57    58    61    62   7.00000 -1.0 2.0
   57    58    61    65   7.00000 -1.0 2.0
   57    58    63    64  -0.64400  1.0 1.0
   57    58    63    64   0.26850 -1.0 2.0
   57    58    63    68   0.25700  1.0 1.0
   57    58    63    68   0.66200 -1.0 2.0
   57    58    63    68   0.04450  1.0 3.0
   58    57    75    71  -0.98800  1.0 1.0
   58    57    75    71   0.48800 -1.0 2.0
   58    57    75    71   0.76800  1.0 3.0
   58    57    75    76   0.15000  1.0 3.0
   58    57    75    77   0.15000  1.0 3.0
   58    57    59    60  -0.07800  1.0 1.0
   58    57    59    60  -0.21500 -1.0 2.0
   58    57    59    60  -0.03150  1.0 3.0
   58    61    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61   -65    71  -0.51250  1.0 1.0
   58    61   -65    71  -0.88800 -1.0 2.0
   58    61   -65    71   0.08850  1.0 3.0
   58    63    68    69   0.00000  1.0 1.0
   58    63    68    70   0.00000  1.0 1.0
   58    63    68    73   0.65300  1.0 1.0
   58    63    68    73  -0.03850 -1.0 2.0
   58    63    68    73   0.33900  1.0 3.0
   61    58    63    64   1.00000 -1.0 2.0
   61    58    63    68  -0.33500  1.0 1.0
   61    58    63    68   1.06600 -1.0 2.0
   61    58    63    68  -0.14000  1.0 3.0
   61    65    71    72   0.30150 -1.0 2.0
   61    65    71    75   0.65300  1.0 1.0
   61    65    71    75  -0.03850 -1.0 2.0
   61    65    71    75   0.33900  1.0 3.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    71   0.09700  1.0 1.0
   62    61    65    71   0.15600 -1.0 2.0
   62    61    65    71  -0.50800  1.0 3.0
   65    71   -75    57   0.60050  1.0 1.0
   65    71   -75    57   0.05600 -1.0 2.0
   65    71   -75    57   0.26150  1.0 3.0
   65    71    75    76   0.00000  1.0 1.0
   65    71    75    77   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    75   0.00000  1.0 1.0
   67    65    71    72   0.00000  1.0 1.0
   67    65    71    75   0.00000  1.0 1.0
   72    71    75    57   0.30150 -1.0 2.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   75    57   -58    61   0.09850  1.0 1.0
   75    57   -58    61   0.15250 -1.0 2.0
   75    57   -58    61  -0.50650  1.0 3.0
   75    57    58    63   0.09700  1.0 1.0
   75    57    58    63   0.15600 -1.0 2.0
   75    57    58    63  -0.50800  1.0 3.0
   75    57    59    60  -0.11600  1.0 1.0
   75    57    59    60  -0.09450 -1.0 2.0
   75    57    59    60   0.21250  1.0 3.0
   63    58    61    62   7.00000 -1.0 2.0
   63    58    61    65   7.00000 -1.0 2.0
   63    68    73    74   0.30150 -1.0 2.0
   63    68    73    78   0.65300  1.0 1.0
   63    68    73    78  -0.03850 -1.0 2.0
   63    68    73    78   0.33900  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    73   0.30150 -1.0 2.0
   68    73    78    79   0.00000  1.0 1.0
   68    73    78    80   0.00000  1.0 1.0
   68    73    78    81   0.00000  1.0 1.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    78   0.00000  1.0 1.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    78   0.00000  1.0 1.0
   74    73    78    79   0.00000  1.0 1.0
   74    73    78    80   0.00000  1.0 1.0
   74    73    78    81   0.00000  1.0 1.0
   59    57    58    61   0.67800  1.0 1.0
   59    57    58    61   0.47050 -1.0 2.0
   59    57    58    61  -0.62500  1.0 3.0
   59    57    58    63   0.09700  1.0 1.0
   59    57    58    63   0.15600 -1.0 2.0
   59    57    58    63  -0.50800  1.0 3.0
   59    57    75    71  -0.09450  1.0 1.0
   59    57    75    71  -1.12950 -1.0 2.0
   59    57    75    71   0.54000  1.0 3.0
   59    57    75    76   0.23400  1.0 3.0
   59    57    75    77   0.23400  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    43  -0.09450  1.0 1.0
   40    33    37    43  -1.12950 -1.0 2.0
   40    33    37    43   0.54000  1.0 3.0
   40    33    42    45   0.13850  1.0 1.0
   40    33    42    45  -1.34450 -1.0 2.0
   40    33    42    45   0.57400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    43   0.56750  1.0 1.0
   42    33    37    43  -0.07550 -1.0 2.0
   42    33    37    43   0.20000  1.0 3.0
   42    33    40    41   0.35600  1.0 1.0
   42    33    40    41  -0.10750 -1.0 2.0
   42    33    40    41  -0.54400  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    43    44  10.50000 -1.0 2.0
   49    54    52    53  10.50000 -1.0 2.0
   57    63    58    61   1.10000 -1.0 2.0
   65    62    61    58   1.10000 -1.0 2.0
   65    75    71    72  10.50000 -1.0 2.0
   58    68    63    64  10.50000 -1.0 2.0
   68    78    73    74  10.50000 -1.0 2.0
END
