* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    167    252     481
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02092    60.25378  -109.89302
    3     1 S   H    _H1_     3     1.02093   106.45071    -7.40396
    4     1 S   H    _H2_     4     1.02078    51.92635    93.73068
    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   _C21    36     1.81085    98.51210  -178.16762
   34    33 S   HC   _H21    37     1.09221   109.06244   -39.09048
   35    33 S   HC   _H22    38     1.09187   109.04656    79.07925
   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   CT   _C19    39     1.52284   110.41004  -159.99683
   40    39 S   HC   _H8_    40     1.09564   109.35306   -60.74687
   41    39 S   CO4  _C20    41     1.50147   110.01242  -179.63043
   42    41 S   O    _O36    42     1.22118   125.25446    67.75228
   43    41 S   OS   _O37    43     1.36042   110.50113  -111.02224
   44    43 S   CT   _C17    44     1.43657   111.53666     1.06845
   45    44 S   HC   _H6_    45     1.08449   105.66619  -130.71464
   46    44 S   CM   _C16    46     1.50663   108.29712   109.79078
   47    46 S   HC   _H20    47     1.08896   114.17774   -56.21694
   48    39 S   CT   _C18    62     1.53710   113.03534    64.09420
   49    48 S   HC   _H7_    63     1.09746   110.22649   -17.23488
   50    46 S   CM   _C15    48     1.34953   128.56382   125.73545
   51    50 S   CT   _C14    49     1.51947   127.07826    -2.85568
   52    51 S   HC   _H5_    50     1.09108   107.93711  -150.39040
   53    50 S   CT   _C22    85     1.51022   119.11820   177.03423
   54    53 S   HC   _H23    86     1.08432   108.96684    89.99265
   55    53 S   HC   _H24    87     1.08459   108.97507   -30.16092
   56    53 S   HC   _H25    88     1.08385   108.96433  -149.83237
   57    51 S   CT   _C13    51     1.53722   114.69542    90.09021
   58    57 S   HC   _H18    52     1.09752   108.97953    70.75906
   59    57 S   HC   _H19    53     1.09741   109.17025  -173.34692
   60    51 S   OH   _O38    83     1.42490   111.79513   -36.54356
   61    60 S   HO   _H26    84     0.97088   106.69588   179.97202
   62    57 S   C3T  _C12    54     1.49903   114.39333   -49.51327
   63    62 S   HC   _H4_    55     1.08198   113.37695    80.21191
   64    62 S   C3T  _C11    56     1.50908   122.72329   -75.58531
   65    64 S   CT   _C10    57     1.49869   121.34347   161.14809
   66    65 S   HC   _H16    58     1.09822   107.99715   142.15485
   67    65 S   HC   _H17    59     1.09742   109.63481    26.58125
   68    62 S   O3T  _O35    78     1.43409   113.64772  -142.06752
   69    64 S   CT   _C23    79     1.49436   121.44927    -4.33535
   70    69 S   HC   _H27    80     1.09994   111.41609   -13.72892
   71    69 S   HC   _H28    81     1.10033   111.47756  -133.80395
   72    69 S   HC   _H29    82     1.10130   111.43460   106.24635
   73    65 S   CT   _C9_    60     1.53708   115.18166   -96.04429
   74    73 S   HC   _H3_    61     1.09249   105.31383   178.96580
   75    73 S   OS   _O34    64     1.42476   109.17609   -67.28453
   76    75 S   CO4  _C8_    65     1.36416   115.97978   -83.17366
   77    76 S   O    _O33    66     1.22223   125.65733     0.03956
   78    76 S   CM   _C6_    67     1.49513   109.71042  -179.76677
   79    78 S   CM   _C5_    68     1.34501   115.88801  -120.22008
   80    79 S   HC   _H12    69     1.08855   119.46904   178.75400
   81    78 S   CT   _C7_    74     1.50002   118.29156    58.29099
   82    81 S   HC   _H13    75     1.09293   113.00282   -88.37096
   83    81 S   HC   _H14    76     1.09566   110.51639    30.49504
   84    81 S   HC   _H15    77     1.09504   110.39030   150.52257
   85    79 S   CT   _C4_    70     1.49595   127.26648    -0.02798
   86    85 S   HC   _H9_    71     1.09506   109.40200   -91.17618
   87    85 S   HC   _H10    72     1.09155   113.76044   148.95658
   88    85 S   HC   _H11    73     1.09428   109.83305    27.22115
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  14   7   5   2   1   1  10   6   5   2   1  11   4  11
  11   6   5   5   4   2   1   1   5   2   5   9   3  10   9   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    73    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    73    74    48    49    75  
   41    42    43    44    73    48    49  
   42    43    44    45    46    73    48    49  
   43    44    48  
   44    45    46    47    50    73    48    49  
   45    46    47    50    51    65    73    74    48    49    75    53  
   46    47    50    73    48    49  
   47    50    51    52    57    73    48    49    60    53    54    55    56  
   50    51    48    53  
   49    75    76    50    64    65    66    67    73    74  
   75    65    73    74  
   51    52    57    58    59    62    60    61    53    54    55    56  
   52    57    58    59    62    63    64    68    60    61    53    54    55    56  
   57    58    59    62    60    61    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    62    63    64    65    68    69    60    61  
   59    62    63    64    68    60  
   62    63    64    68    60  
   61    62  
    0  
   63    64    65    66    67    73    68    69    70    71    72  
   64    65    68    69  
   65    66    67    73    74    75    68    69    70    71    72  
   66    67    73    74    75    76    68    69    70    71    72  
   67    73    74    75    68    69  
   73    74    75    68    69  
   69    70    71    72    73  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76  
   76    77    78    79    81  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    87    88    81    82    83    84  
   80    85    86    87    88    81    82    83    84  
   85    86    87    88    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   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   2.5000   0.0300   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   275.000  1.510
   62    63   340.000  1.088
   62    64   260.000  1.509
   62    68   335.000  1.432
   64    65   275.000  1.510
   64    68   335.000  1.432
   64    69   275.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    48   268.000  1.529
   73    75   320.000  1.410
   48    49   340.000  1.090
   75    76   214.000  1.327
   76    77   570.000  1.229
   76    78   320.000  1.462
   78    79   549.000  1.340
   78    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   60    61   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    73    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    73    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    90.00000  110.39200
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    70.00000  112.37300
   51    60    61    55.00000  108.50000
   57    51    52    37.50000  110.70000
   57    62    63    40.00000  115.04500
   57    62    64    60.00000  120.94000
   57    62    68    80.00000  116.47100
   59    57    58    33.00000  107.80000
   62    57    58    45.00000  109.38400
   62    57    59    45.00000  109.38400
   62    64    65    60.00000  120.94000
   62    64    68    15.00000   60.43100
   62    64    69    60.00000  120.94000
   62    68    64    15.00000   59.14900
   64    62    63    37.50000  117.20000
   64    65    66    45.00000  109.38400
   64    65    67    45.00000  109.38400
   64    65    73    70.00000  112.37300
   64    69    70    45.00000  109.38400
   64    69    71    45.00000  109.38400
   64    69    72    45.00000  109.38400
   65    73    74    37.50000  110.70000
   65    73    48    58.35000  112.70000
   65    73    75    50.00000  109.50000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    48    49    37.50000  110.70000
   73    75    76    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    73    74    37.50000  110.70000
   75    73    74    35.00000  109.50000
   75    73    48    50.00000  109.50000
   75    76    77    83.00000  123.40000
   75    76    78    90.00000  111.29400
   76    78    79    65.00000  118.96000
   76    78    81    65.00000  116.34900
   78    76    77    80.00000  123.72100
   78    79    80    35.00000  120.00000
   78    79    85    70.00000  124.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   85    79    80    35.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   81    78    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   68    62    63    50.00000  114.27700
   68    62    64    15.00000   60.43100
   68    64    65    80.00000  116.47100
   69    64    65    58.35000  112.70000
   69    64    68    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    73   0.56750  1.0 1.0
   33    39    48    73  -0.07550 -1.0 2.0
   33    39    48    73   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    73   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    73  -0.95700  1.0 1.0
   41    39    48    73  -0.18200 -1.0 2.0
   41    39    48    73   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    73   0.62750  1.0 1.0
   43    44    48    73  -0.30950 -1.0 2.0
   43    44    48    73   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    73   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    73   0.34400  1.0 1.0
   46    44    48    73   0.09450 -1.0 2.0
   46    44    48    73   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.67800  1.0 1.0
   46    50    51    60   0.47050 -1.0 2.0
   46    50    51    60  -0.62500  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    62   0.34400  1.0 1.0
   50    51    57    62   0.09450 -1.0 2.0
   50    51    57    62   0.11100  1.0 3.0
   50    51    60    61  -0.07800  1.0 1.0
   50    51    60    61  -0.21500 -1.0 2.0
   50    51    60    61  -0.03150  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    62    63   0.15000  1.0 3.0
   51    57    62    64   0.07850  1.0 1.0
   51    57    62    64  -0.03950 -1.0 2.0
   51    57    62    64   0.67350  1.0 3.0
   51    57    62    68   0.02550  1.0 1.0
   51    57    62    68  -0.02600 -1.0 2.0
   51    57    62    68   1.20400  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    62   0.15000  1.0 3.0
   52    51    60    61   0.19450  1.0 3.0
   57    51    60    61  -0.11600  1.0 1.0
   57    51    60    61  -0.09450 -1.0 2.0
   57    51    60    61   0.21250  1.0 3.0
   57    62    64    65   0.56750  1.0 1.0
   57    62    64    65  -0.07550 -1.0 2.0
   57    62    64    65   0.20000  1.0 3.0
   57    62   -64    68   0.02550  1.0 1.0
   57    62   -64    68  -0.02600 -1.0 2.0
   57    62   -64    68   1.20400  1.0 3.0
   57    62    64    69   0.56750  1.0 1.0
   57    62    64    69  -0.07550 -1.0 2.0
   57    62    64    69   0.20000  1.0 3.0
   57    62   -68    64   0.06250  1.0 1.0
   57    62   -68    64  -0.01100 -1.0 2.0
   57    62   -68    64   0.28050  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.23400  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    68   0.23400  1.0 3.0
   62    64    65    66   0.15000  1.0 3.0
   62    64    65    67   0.15000  1.0 3.0
   62    64    65    73   0.07850  1.0 1.0
   62    64    65    73  -0.03950 -1.0 2.0
   62    64    65    73   0.67350  1.0 3.0
   62    64    69    70   0.15000  1.0 3.0
   62    64    69    71   0.15000  1.0 3.0
   62    64    69    72   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62   -64    68   0.23400  1.0 3.0
   63    62    64    69   0.15000  1.0 3.0
   63    62   -68    64   0.36800  1.0 3.0
   64    65    73    74   0.15000  1.0 3.0
   64    65    73    48   0.47050  1.0 1.0
   64    65    73    48   0.03900 -1.0 2.0
   64    65    73    48   0.20100  1.0 3.0
   64    65    73    75  -0.26800  1.0 1.0
   64    65    73    75   0.69150 -1.0 2.0
   64    65    73    75  -0.48750  1.0 3.0
   65    64   -68    62   0.06250  1.0 1.0
   65    64   -68    62  -0.01100 -1.0 2.0
   65    64   -68    62   0.28050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   65    73    48    39   0.56750  1.0 1.0
   65    73    48    39  -0.07550 -1.0 2.0
   65    73    48    39   0.20000  1.0 3.0
   65    73    48    44   0.56750  1.0 1.0
   65    73    48    44  -0.07550 -1.0 2.0
   65    73    48    44   0.20000  1.0 3.0
   65    73    48    49   0.15000  1.0 3.0
   65    73    75    76  -0.25900  1.0 1.0
   65    73    75    76  -0.47000 -1.0 2.0
   65    73    75    76   0.11750  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    48   0.15000  1.0 3.0
   66    65    73    75   0.23400  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    48   0.15000  1.0 3.0
   67    65    73    75   0.23400  1.0 3.0
   73    75    76    77   3.00000 -1.0 2.0
   73    75    76    78   2.00000 -1.0 2.0
   74    73    48    39   0.15000  1.0 3.0
   74    73    48    44   0.15000  1.0 3.0
   74    73    48    49   0.15000  1.0 3.0
   74    73    75    76   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    73    75    76  -0.25900  1.0 1.0
   48    73    75    76  -0.47000 -1.0 2.0
   48    73    75    76   0.11750  1.0 3.0
   75    73    48    39   0.62750  1.0 1.0
   75    73    48    39  -0.30950 -1.0 2.0
   75    73    48    39   0.27300  1.0 3.0
   75    73    48    44   0.62750  1.0 1.0
   75    73    48    44  -0.30950 -1.0 2.0
   75    73    48    44   0.27300  1.0 3.0
   75    73    48    49   0.23400  1.0 3.0
   75    76    78    79  -0.56150  1.0 1.0
   75    76    78    79   2.19150 -1.0 2.0
   75    76    78    81  -0.15000  1.0 1.0
   75    76    78    81   0.89550 -1.0 2.0
   75    76    78    81  -0.06900  1.0 3.0
   76    78    79    80   7.00000 -1.0 2.0
   76    78    79    85   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.15000  1.0 3.0
   77    76    78    79   1.00000 -1.0 2.0
   77    76    78    81  -0.64400  1.0 1.0
   77    76    78    81   0.26850 -1.0 2.0
   78    79    85    86   0.00000  1.0 1.0
   78    79    85    87   0.00000  1.0 1.0
   78    79    85    88   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    87   0.33100  1.0 3.0
   80    79    85    88   0.33100  1.0 3.0
   81    78    79    80   7.00000 -1.0 2.0
   81    78    79    85   7.00000 -1.0 2.0
   68    62   -64    65   0.02550  1.0 1.0
   68    62   -64    65  -0.02600 -1.0 2.0
   68    62   -64    65   1.20400  1.0 3.0
   68    62   -64    69   0.02550  1.0 1.0
   68    62   -64    69  -0.02600 -1.0 2.0
   68    62   -64    69   1.20400  1.0 3.0
   68    64    65    66   0.23400  1.0 3.0
   68    64    65    67   0.23400  1.0 3.0
   68    64    65    73   0.02550  1.0 1.0
   68    64    65    73  -0.02600 -1.0 2.0
   68    64    65    73   1.20400  1.0 3.0
   68    64    69    70   0.23400  1.0 3.0
   68    64    69    71   0.23400  1.0 3.0
   68    64    69    72   0.23400  1.0 3.0
   69    64    65    66   0.15000  1.0 3.0
   69    64    65    67   0.15000  1.0 3.0
   69    64    65    73   0.56750  1.0 1.0
   69    64    65    73  -0.07550 -1.0 2.0
   69    64    65    73   0.20000  1.0 3.0
   69    64   -68    62   0.06250  1.0 1.0
   69    64   -68    62  -0.01100 -1.0 2.0
   69    64   -68    62   0.28050  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    62   0.86500  1.0 1.0
   60    51    57    62  -0.17500 -1.0 2.0
   60    51    57    62   0.20800  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.18000  1.0 1.0
   53    50    51    60   0.16450 -1.0 2.0
   53    50    51    60   0.04450  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   75    78    76    77  10.50000 -1.0 2.0
   76    81    78    79  15.00000 -1.0 2.0
   85    80    79    78  15.00000 -1.0 2.0
END
