* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    162    248     463
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02025    89.30951   -70.23158
    3     1 S   H    _H1_     3     1.02080    91.25919    38.44951
    4     1 S   H    _H2_     4     1.02092    32.87251   162.34078
    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     1.08640   109.89279   178.97703
   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   _C20    36     1.80654    98.64003  -178.17447
   34    33 S   HC   _H18    37     1.09200   109.33186    40.60186
   35    33 S   HC   _H19    38     1.09167   109.52082   159.11285
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C18    39     1.48936   109.97562   -79.98388
   40    39 S   CM   _C19    40     1.33438   125.84195   120.30573
   41    40 S   OS   _O36    41     1.38149   115.81982  -173.90654
   42    40 S   OH   _O37    84     1.36928   124.09216     3.18727
   43    42 S   HO   _H17    85     0.96669   110.40060   179.97202
   44    41 S   CT   _C16    42     1.44448   103.98023   -11.23382
   45    44 S   HC   _H6_    43     1.09683   105.80141   -98.76233
   46    39 S   CT   _C17    44     1.50657   124.48459   -51.86653
   47    46 S   HC   _H7_    45     1.09847   106.76672    68.92166
   48    44 S   C3T  _C15    60     1.49840   108.19279   141.88755
   49    48 S   HC   _H5_    61     1.07997   114.54025   -95.49473
   50    46 S   CT   _C8_    46     1.56128   117.33288   -53.20314
   51    50 S   HC   _H3_    47     1.09505   110.27870   -77.25958
   52    79 S   O3T  _O35    62     1.42471   118.54852  -147.34107
   53    50 S   CT   _C9_    48     1.54804   115.28784   157.57570
   54    53 S   HC   _H12    49     1.09914   108.50876   -57.18811
   55    53 S   HC   _H13    50     1.09870   108.79195  -170.11994
   56    50 S   OS   _O34    70     1.43352   109.44332    40.32627
   57    53 S   CM   _C10    51     1.47922   116.39519    67.31560
   58    56 S   CO4  _C7_    71     1.36165   115.44865  -149.55181
   59    58 S   O    _O33    72     1.21922   126.69690    -0.06853
   60    57 S   CM   _C11    52     1.33189   128.73464  -110.72817
   61    60 S   HC   _H14    53     1.08102   124.56358    -0.67551
   62    58 S   CM   _C6_    73     1.48174   107.26336  -179.19619
   63    62 S   HC   _H11    74     1.08829   115.35532     0.24945
   64    60 S   CT   _C12    54     1.48010   110.86913   169.95040
   65    64 S   HC   _H4_    55     1.09424   111.50919   129.35055
   66    62 S   CM   _C5_    75     1.34553   125.42791   179.12643
   67    64 S   CT   _C13    56     1.54225   112.14828  -105.04437
   68    67 S   HC   _H15    57     1.09686   109.25899   177.51580
   69    67 S   HC   _H16    58     1.09735   109.69826   -65.30497
   70    64 S   OS   _O38    67     1.43624   103.19103    12.76736
   71    66 S   CT   _C4_    76     1.50771   119.73950   180.00000
   72    71 S   HC   _H8_    77     1.09539   110.12158    90.01234
   73    71 S   HC   _H9_    78     1.09559   112.47739   -29.95759
   74    71 S   HC   _H10    79     1.09497   110.32283  -150.16637
   75    66 S   CT   _C23    80     1.50306   126.28745     0.84000
   76    75 S   HC   _H23    81     1.09199   113.58188    89.98871
   77    75 S   HC   _H24    82     1.09394   110.19278   -32.10836
   78    75 S   HC   _H25    83     1.09609   110.07154  -151.30116
   79    67 S   C3T  _C14    59     1.50093   111.18543    57.36731
   80    57 S   CO4  _C22    68     1.46851   124.82284    69.05076
   81    80 S   O    _O39    69     1.21896   125.75048     3.58124
   82    79 S   CT   _C21    63     1.49743   115.43682    80.14122
   83    82 S   HC   _H20    64     1.09902   111.29530   179.97202
   84    82 S   HC   _H21    65     1.09974   111.28667    59.97532
   85    82 S   HC   _H22    66     1.09901   111.25338   -59.99785
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  13   7  13   5  12
   4  11   6   9  11   5   4   6   8   6   3  10   5  10   3   9
   6   8   9   4   3   3   7   3   2   1   3   2   1   1   4   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    50    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    50    51    53    48    56    42    43  
   41    44    45    46    47    50    48    42    43  
   44    45    46    47    50    79    48    49    52    42    43  
   43    44    46  
    0  
   45    46    47    50    51    53    67    79    48    49    52    82    56  
   46    47    50    79    48    49    52  
   47    50    51    53    54    55    57    79    48    49    52    56    58  
   50    51    53    48    56  
   49    52    82    83    84    85    50    64    67    68    69    79  
   52    82    67    79  
   51    53    54    55    57    60    80    56    58    59    62  
   53    54    55    57    56    58  
   82    83    84    85    64    67    68    69    79  
   54    55    57    60    61    64    70    80    81    56    58  
   55    57    60    80    56  
   57    60    80    56  
   58    59    62    63    66    57  
   60    61    64    65    67    70    80    81  
   59    62    63    66    71    75  
   62    63    66  
   61    64    65    67    68    69    79    70    80    81  
   64    65    67    70    80  
   63    66    71    72    73    74    75    76    77    78  
   66    71    75  
   65    67    68    69    79    82    70    80    81  
   67    68    69    79    70    80  
   71    72    73    74    75    76    77    78  
   68    69    79    82    83    84    85    70    80  
   69    79    82    70  
   79    82    70  
   80    81    79  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   82    83    84    85  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    80   320.000  1.462
   60    61   340.000  1.080
   60    64   317.000  1.510
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    79   275.000  1.510
   79    48   260.000  1.509
   79    52   335.000  1.432
   79    82   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   70    80   214.000  1.327
   80    81   570.000  1.229
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    62   320.000  1.462
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    71   317.000  1.510
   66    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    50    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    79    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    80    65.00000  116.34900
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    64    70.00000  124.00000
   57    80    70    90.00000  111.29400
   57    80    81    80.00000  123.72100
   60    64    65    35.00000  109.50000
   60    64    67    70.00000  112.02700
   60    64    70    85.00000  110.90400
   64    60    61    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    79    70.00000  112.37300
   64    70    80    83.00000  116.90000
   67    64    65    37.50000  110.70000
   67    79    48    60.00000  120.94000
   67    79    52    80.00000  116.47100
   67    79    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   79    67    68    45.00000  109.38400
   79    67    69    45.00000  109.38400
   79    48    49    37.50000  117.20000
   79    48    52    15.00000   60.43100
   79    52    48    15.00000   59.14900
   79    82    83    45.00000  109.38400
   79    82    84    45.00000  109.38400
   79    82    85    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    79    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   82    79    48    60.00000  120.94000
   82    79    52    80.00000  116.47100
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    67    50.00000  109.50000
   70    80    81    83.00000  123.40000
   80    57    60    65.00000  118.96000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    62    90.00000  111.29400
   58    62    63    40.00000  117.72500
   58    62    66    65.00000  118.96000
   62    58    59    80.00000  123.72100
   62    66    71    70.00000  124.00000
   62    66    75    70.00000  124.00000
   66    62    63    35.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   66    75    76    35.00000  109.50000
   66    75    77    35.00000  109.50000
   66    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    50   0.46850  1.0 1.0
   33    39    46    50   0.08550 -1.0 2.0
   33    39    46    50   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.34400  1.0 1.0
   39    46    50    53   0.09450 -1.0 2.0
   39    46    50    53   0.11100  1.0 3.0
   39    46    50    56   0.61850  1.0 1.0
   39    46    50    56  -0.22750 -1.0 2.0
   39    46    50    56   0.15300  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    50   0.09850  1.0 1.0
   40    39    46    50   0.15250 -1.0 2.0
   40    39    46    50  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.62750  1.0 1.0
   41    44    46    50  -0.30950 -1.0 2.0
   41    44    46    50   0.27300  1.0 3.0
   41    44    48    79  -0.26800  1.0 1.0
   41    44    48    79   0.69150 -1.0 2.0
   41    44    48    79  -0.48750  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   41    44    48    52   1.11900  1.0 1.0
   41    44    48    52  -1.16350 -1.0 2.0
   41    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    79   0.06250  1.0 1.0
   44    48   -52    79  -0.01100 -1.0 2.0
   44    48   -52    79   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    79   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    48    79   0.07850  1.0 1.0
   46    44    48    79  -0.03950 -1.0 2.0
   46    44    48    79   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    80   0.09700  1.0 1.0
   50    53    57    80   0.15600 -1.0 2.0
   50    53    57    80  -0.50800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    62   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    64   7.00000 -1.0 2.0
   53    57    80    70  -0.15000  1.0 1.0
   53    57    80    70   0.89550 -1.0 2.0
   53    57    80    70  -0.06900  1.0 3.0
   53    57    80    81  -0.64400  1.0 1.0
   53    57    80    81   0.26850 -1.0 2.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    80   0.15000  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    80   0.15000  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    67   0.09850  1.0 1.0
   57    60    64    67   0.15250 -1.0 2.0
   57    60    64    67  -0.50650  1.0 3.0
   57    60   -64    70   0.39000  1.0 1.0
   57    60   -64    70  -0.05800 -1.0 2.0
   57    60   -64    70  -0.55150  1.0 3.0
   60    57   -80    70  -0.56150  1.0 1.0
   60    57   -80    70   2.19150 -1.0 2.0
   60    57    80    81   1.00000 -1.0 2.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    69   0.15000  1.0 3.0
   60    64    67    79   0.34400  1.0 1.0
   60    64    67    79   0.09450 -1.0 2.0
   60    64    67    79   0.11100  1.0 3.0
   60    64   -70    80  -0.82050  1.0 1.0
   60    64   -70    80   0.00600 -1.0 2.0
   60    64   -70    80   0.04400  1.0 3.0
   61    60    64    65   0.33100  1.0 3.0
   61    60    64    67   0.00000  1.0 1.0
   61    60    64    70   0.00000  1.0 1.0
   64    67    79    48   0.07850  1.0 1.0
   64    67    79    48  -0.03950 -1.0 2.0
   64    67    79    48   0.67350  1.0 3.0
   64    67    79    52   0.02550  1.0 1.0
   64    67    79    52  -0.02600 -1.0 2.0
   64    67    79    52   1.20400  1.0 3.0
   64    67    79    82   0.56750  1.0 1.0
   64    67    79    82  -0.07550 -1.0 2.0
   64    67    79    82   0.20000  1.0 3.0
   64    70   -80    57   2.00000 -1.0 2.0
   64    70    80    81   3.00000 -1.0 2.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    79   0.15000  1.0 3.0
   65    64    70    80   0.08050  1.0 3.0
   67    64    70    80  -0.25900  1.0 1.0
   67    64    70    80  -0.47000 -1.0 2.0
   67    64    70    80   0.11750  1.0 3.0
   67    79    48    44   0.56750  1.0 1.0
   67    79    48    44  -0.07550 -1.0 2.0
   67    79    48    44   0.20000  1.0 3.0
   67    79    48    49   0.15000  1.0 3.0
   67    79   -48    52   0.02550  1.0 1.0
   67    79   -48    52  -0.02600 -1.0 2.0
   67    79   -48    52   1.20400  1.0 3.0
   67    79   -52    48   0.06250  1.0 1.0
   67    79   -52    48  -0.01100 -1.0 2.0
   67    79   -52    48   0.28050  1.0 3.0
   67    79    82    83   0.15000  1.0 3.0
   67    79    82    84   0.15000  1.0 3.0
   67    79    82    85   0.15000  1.0 3.0
   68    67    79    48   0.15000  1.0 3.0
   68    67    79    52   0.23400  1.0 3.0
   68    67    79    82   0.15000  1.0 3.0
   69    67    79    48   0.15000  1.0 3.0
   69    67    79    52   0.23400  1.0 3.0
   69    67    79    82   0.15000  1.0 3.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    79    82    83   0.15000  1.0 3.0
   48    79    82    84   0.15000  1.0 3.0
   48    79    82    85   0.15000  1.0 3.0
   49    48   -52    79   0.36800  1.0 3.0
   52    79   -48    44   0.02550  1.0 1.0
   52    79   -48    44  -0.02600 -1.0 2.0
   52    79   -48    44   1.20400  1.0 3.0
   52    79   -48    49   0.23400  1.0 3.0
   52    79    82    83   0.23400  1.0 3.0
   52    79    82    84   0.23400  1.0 3.0
   52    79    82    85   0.23400  1.0 3.0
   82    79    48    44   0.56750  1.0 1.0
   82    79    48    44  -0.07550 -1.0 2.0
   82    79    48    44   0.20000  1.0 3.0
   82    79    48    49   0.15000  1.0 3.0
   82    79   -48    52   0.02550  1.0 1.0
   82    79   -48    52  -0.02600 -1.0 2.0
   82    79   -48    52   1.20400  1.0 3.0
   82    79   -52    48   0.06250  1.0 1.0
   82    79   -52    48  -0.01100 -1.0 2.0
   82    79   -52    48   0.28050  1.0 3.0
   70    64    67    68   0.23400  1.0 3.0
   70    64    67    69   0.23400  1.0 3.0
   70    64    67    79  -0.26800  1.0 1.0
   70    64    67    79   0.69150 -1.0 2.0
   70    64    67    79  -0.48750  1.0 3.0
   80    57    60    61   7.00000 -1.0 2.0
   80    57   -60    64   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    62    63   1.63100 -1.0 2.0
   56    58    62    66  -0.56150  1.0 1.0
   56    58    62    66   2.19150 -1.0 2.0
   58    62    66    71   7.00000 -1.0 2.0
   58    62    66    75   7.00000 -1.0 2.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    66   1.00000 -1.0 2.0
   62    66    71    72   0.00000  1.0 1.0
   62    66    71    73   0.00000  1.0 1.0
   62    66    71    74   0.00000  1.0 1.0
   62    66    75    76   0.00000  1.0 1.0
   62    66    75    77   0.00000  1.0 1.0
   62    66    75    78   0.00000  1.0 1.0
   63    62    66    71   7.00000 -1.0 2.0
   63    62    66    75   7.00000 -1.0 2.0
   71    66    75    76   0.34800  1.0 3.0
   71    66    75    77   0.34800  1.0 3.0
   71    66    75    78   0.34800  1.0 3.0
   75    66    71    72   0.34800  1.0 3.0
   75    66    71    73   0.34800  1.0 3.0
   75    66    71    74   0.34800  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   53    80    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   57    70    80    81  10.50000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   58    63    62    66  15.00000 -1.0 2.0
   71    75    66    62  15.00000 -1.0 2.0
END
