* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    156    234     449
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02038   101.77435    15.46241
    3     1 S   H    _H1_     3     1.02127    39.60347   120.63875
    4     1 S   H    _H2_     4     1.02153    74.67880   -90.93317
    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     1.08519   110.67109    58.69410
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   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   _C7_    36     1.87672    96.28404  -178.14776
   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   CM   _C12    37     1.50969   105.08980    80.02969
   38    37 S   HC   _H9_    38     1.08472   120.08248   -92.59825
   39    33 S   OS   _O33    67     1.43695   109.04088   -45.52771
   40    37 S   CM   _C11    39     1.35196   118.45113    86.19609
   41    40 S   CM   _C10    40     1.48039   120.85177    -0.01978
   42    40 S   OH   _O34    85     1.37970   120.36355  -178.93027
   43    42 S   HO   _H10    86     0.96306   109.84554     0.03426
   44    41 S   CM   _C9_    41     1.35596   118.93572    20.40608
   45    44 S   HC   _H8_    42     1.08288   121.92942   179.20845
   46    41 S   CT   _C13    77     1.49942   119.74064  -158.24532
   47    46 S   HC   _H11    78     1.09276   108.54319   178.61182
   48    46 S   HC   _H12    79     1.09316   108.38859   -64.98504
   49    33 S   CT   _C8_    43     1.54488   115.43818  -161.01691
   50    46 S   CM   _C14    80     1.49594   111.82497    58.01115
   51    50 S   HC   _H13    81     1.08683   117.70575    61.43098
   52    49 S   CT   _C5_    44     1.52743    99.98793    72.22780
   53    52 S   HC   _H3_    45     1.09868   109.99426   -72.91224
   54    49 S   OS   _O35    72     1.45031   108.81459  -176.28938
   55    50 S   CM   _C15    82     1.33828   123.87603  -119.74391
   56    55 S   HC   _H14    83     1.08412   121.57635  -180.00000
   57    55 S   HC   _H15    84     1.08446   120.41457    -0.06256
   58    52 S   CT   _C6_    46     1.55990    99.29772    43.91623
   59    58 S   HC   _H4_    47     1.12462   110.32182    85.98141
   60    52 S   CT   _C4_    68     1.52486   115.01656   166.04272
   61    60 S   HC   _H5_    69     1.08966   109.95085   -57.40989
   62    60 S   HC   _H6_    70     1.08966   109.92439  -177.38925
   63    60 S   HC   _H7_    71     1.08984   110.00238    62.62732
   64    54 S   CT   _C16    73     1.41079   110.57047   158.02760
   65    64 S   HC   _H16    74     1.09291   109.58176   180.00000
   66    64 S   HC   _H17    75     1.09374   109.53732    59.17469
   67    64 S   HC   _H18    76     1.09282   109.02158   -60.41321
   68    58 S   CA   _C17    48     1.51332   114.81794  -153.33220
   69    68 S   CA   _C18    49     1.39501   120.00529    57.37294
   70    69 S   HA   _H19    50     1.08630   120.51292     0.00000
   71    69 S   CA   _C19    51     1.39484   120.00778   179.89532
   72    71 S   HA   _H20    52     1.08623   119.63303  -180.00000
   73    71 S   CA   _C20    53     1.39476   119.98979    -0.00000
   74    73 S   CA   _C21    54     1.39471   119.99230     0.04423
   75    73 S   OS   _O37    62     1.36309   119.43397   179.95577
   76    68 S   CA   _C22    55     1.39439   119.99815  -122.69024
   77    76 S   HA   _H21    56     1.08779   120.15248     0.03956
   78    74 S   OS   _O36    57     1.36248   120.53100   179.95154
   79    75 S   CT   _C24    63     1.42628   117.00790     0.07402
   80    79 S   HC   _H25    64     1.09209   109.48864   180.00000
   81    79 S   HC   _H26    65     1.09271   109.53122    59.17932
   82    79 S   HC   _H27    66     1.09252   108.94003   -60.42625
   83    78 S   CT   _C23    58     1.42607   117.03522   179.96574
   84    83 S   HC   _H22    59     1.09325   109.52167   179.97202
   85    83 S   HC   _H23    60     1.09291   109.51400    59.19982
   86    83 S   HC   _H24    61     1.09191   109.01087   -60.44494
  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  10   5   4   3
  17   2   1   1  12   5  12  10  13   3   1  12   4   8   4   3
  14   4   3  12   8   6   2   1   1  12   4   4   2   1   1   3
   2   1   1   9   8   4   7   3  10   9   6   3   1   4   3   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    44    49    52    58    39    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    45    49    52    53    58    59    68    39    60    54    64    42  
   35    36  
   36  
    0  
   38    40    41    44    49    52    58    39    54    46    42    43  
   40    41    49    39    42  
   60    54    40    44    49    52    53    58    59    68    69    76  
   41    44    45    49    46    47    48    50    42    43  
   44    45    49    52    54    46    47    48    50    51    55    42    43  
   43    44    46  
    0  
   45    49    52    53    58    60    54    64    46    47    48    50  
   49    52    54    46  
   47    48    50    51    55    56    57    49  
   48    50    51    55  
   50    51    55  
   52    53    58    59    68    60    61    62    63    54    64    65    66    67  
   51    55    56    57  
   55    56    57  
   53    58    59    68    69    76    60    61    62    63    54    64  
   58    59    68    60    61    62    63    54  
   64    65    66    67    58    60  
   56    57  
   57  
    0  
   59    68    69    70    71    74    76    77    60    61    62    63  
   68    69    76    60  
   61    62    63    68  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    76    77    78  
   70    71    72    73    74    76    77    75  
   71    72    73    76  
   72    73    74    76    78    75    79  
   73    74    75  
   74    76    77    78    83    75    79    80    81    82  
   76    77    78    83    84    85    86    75    79  
   79    80    81    82    76    78  
   77    78    83  
   78  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.417900   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   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   317.000  1.510
   33    49   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    41   380.000  1.444
   40    42   510.000  1.338
   41    44   549.000  1.340
   41    46   317.000  1.510
   44    45   340.000  1.080
   44    49   317.000  1.510
   49    52   268.000  1.529
   49    54   320.000  1.410
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    60   268.000  1.529
   58    59   340.000  1.090
   58    68   317.000  1.510
   58    39   320.000  1.410
   68    69   469.000  1.400
   68    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    78   450.000  1.364
   76    77   367.000  1.080
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   54    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   317.000  1.510
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
   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    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  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    44    70.00000  112.02700
   33    49    52    58.35000  112.70000
   33    49    54    50.00000  109.50000
   33    39    58    60.00000  109.50000
   37    40    41    70.00000  123.01800
   37    40    42    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    41    44    70.00000  123.01800
   40    41    46    70.00000  124.00000
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  120.00000
   41    44    49    70.00000  124.00000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    50    70.00000  110.12100
   44    49    52    70.00000  112.02700
   44    49    54    85.00000  110.90400
   49    33    37    70.00000  112.02700
   49    44    45    35.00000  117.00000
   49    52    53    37.50000  110.70000
   49    52    58    58.35000  112.70000
   49    52    60    58.35000  112.70000
   49    54    64    60.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    68    70.00000  112.17500
   52    58    39    50.00000  109.50000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   58    52    53    37.50000  110.70000
   58    68    69    70.00000  120.00000
   58    68    76    70.00000  120.00000
   68    58    59    35.00000  109.50000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    76    74    63.00000  120.00000
   68    76    77    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    78    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    77    35.00000  120.00000
   74    78    83    75.00000  111.00000
   76    68    69    63.00000  120.00000
   78    74    76    70.00000  120.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    49    50.00000  109.50000
   39    58    59    35.00000  109.50000
   39    58    68    85.00000  111.85700
   60    52    53    37.50000  110.70000
   60    52    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   54    49    52    50.00000  109.50000
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   46    41    44    70.00000  124.00000
   46    50    51    35.00000  117.00000
   46    50    55    70.00000  124.00000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
   50    55    56    35.00000  120.00000
   50    55    57    35.00000  120.00000
   55    50    51    35.00000  120.00000
   57    55    56    35.00000  117.00000
   42    40    41    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    52   0.44750  1.0 1.0
   29    33    49    52  -0.17800 -1.0 2.0
   29    33    49    52   0.20200  1.0 3.0
   29    33    49    54   0.56750  1.0 1.0
   29    33    49    54  -0.07550 -1.0 2.0
   29    33    49    54   0.20000  1.0 3.0
   29    33    39    58   0.14700  1.0 1.0
   29    33    39    58  -1.16150 -1.0 2.0
   29    33    39    58   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    49    52    53   0.15000  1.0 3.0
   33    49   -52    58   0.56750  1.0 1.0
   33    49   -52    58  -0.07550 -1.0 2.0
   33    49   -52    58   0.20000  1.0 3.0
   33    49    52    60   0.56750  1.0 1.0
   33    49    52    60  -0.07550 -1.0 2.0
   33    49    52    60   0.20000  1.0 3.0
   33    49    54    64   0.06250  1.0 1.0
   33    49    54    64  -0.01100 -1.0 2.0
   33    49    54    64   0.28050  1.0 3.0
   37    33    49    44   0.31000  1.0 1.0
   37    33    49    44   0.14700 -1.0 2.0
   37    33    49    44   0.07550  1.0 3.0
   37    33    49    52   0.34400  1.0 1.0
   37    33    49    52   0.09450 -1.0 2.0
   37    33    49    52   0.11100  1.0 3.0
   37    33    49    54   0.61850  1.0 1.0
   37    33    49    54  -0.22750 -1.0 2.0
   37    33    49    54   0.15300  1.0 3.0
   37    33    39    58  -0.77900  1.0 1.0
   37    33    39    58  -0.36900 -1.0 2.0
   37    33    39    58   0.40400  1.0 3.0
   37    40   -41    44   0.28850  1.0 1.0
   37    40   -41    44   2.61350 -1.0 2.0
   37    40   -41    44   0.78400  1.0 3.0
   37    40    41    46  -0.18600  1.0 3.0
   37    40    42    43  -0.66100  1.0 1.0
   37    40    42    43   1.20850 -1.0 2.0
   37    40    42    43  -0.36000  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    41    44    45   7.00000 -1.0 2.0
   40    41    44    49   7.00000 -1.0 2.0
   40    41    46    47   0.00000  1.0 1.0
   40    41    46    48   0.00000  1.0 1.0
   40    41    46    50  -0.28300  1.0 1.0
   40    41    46    50   0.26700 -1.0 2.0
   40    41    46    50  -0.63300  1.0 3.0
   41    40    42    43  -0.66100  1.0 1.0
   41    40    42    43   1.20850 -1.0 2.0
   41    40    42    43  -0.36000  1.0 3.0
   41    44   -49    33   0.09850  1.0 1.0
   41    44   -49    33   0.15250 -1.0 2.0
   41    44   -49    33  -0.50650  1.0 3.0
   41    44    49    52   0.09850  1.0 1.0
   41    44    49    52   0.15250 -1.0 2.0
   41    44    49    52  -0.50650  1.0 3.0
   41    44    49    54   0.39000  1.0 1.0
   41    44    49    54  -0.05800 -1.0 2.0
   41    44    49    54  -0.55150  1.0 3.0
   41    46    50    51   0.00000  1.0 1.0
   41    46    50    55  -0.28300  1.0 1.0
   41    46    50    55   0.26700 -1.0 2.0
   41    46    50    55  -0.63300  1.0 3.0
   44    41    46    47   0.00000  1.0 1.0
   44    41    46    48   0.00000  1.0 1.0
   44    41    46    50  -0.28300  1.0 1.0
   44    41    46    50   0.26700 -1.0 2.0
   44    41    46    50  -0.63300  1.0 3.0
   44    49    52    53   0.15000  1.0 3.0
   44    49    52    58   0.34400  1.0 1.0
   44    49    52    58   0.09450 -1.0 2.0
   44    49    52    58   0.11100  1.0 3.0
   44    49    52    60   0.34400  1.0 1.0
   44    49    52    60   0.09450 -1.0 2.0
   44    49    52    60   0.11100  1.0 3.0
   44    49    54    64  -0.77900  1.0 1.0
   44    49    54    64  -0.36900 -1.0 2.0
   44    49    54    64   0.40400  1.0 3.0
   45    44    49    33   0.00000  1.0 1.0
   45    44    49    52   0.00000  1.0 1.0
   45    44    49    54   0.00000  1.0 1.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33   -39    58   0.06250  1.0 1.0
   49    33   -39    58  -0.01100 -1.0 2.0
   49    33   -39    58   0.28050  1.0 3.0
   49    52    58    59   0.15000  1.0 3.0
   49    52    58    68  -0.03700  1.0 1.0
   49    52    58    68   0.37200 -1.0 2.0
   49    52    58    68  -0.47300  1.0 3.0
   49    52   -58    39   0.62750  1.0 1.0
   49    52   -58    39  -0.30950 -1.0 2.0
   49    52   -58    39   0.27300  1.0 3.0
   49    52    60    61   0.15000  1.0 3.0
   49    52    60    62   0.15000  1.0 3.0
   49    52    60    63   0.15000  1.0 3.0
   49    54    64    65   0.37050  1.0 3.0
   49    54    64    66   0.37050  1.0 3.0
   49    54    64    67   0.37050  1.0 3.0
   52    49    54    64   0.06250  1.0 1.0
   52    49    54    64  -0.01100 -1.0 2.0
   52    49    54    64   0.28050  1.0 3.0
   52    58    68    69   0.04150 -1.0 2.0
   52    58    68    76   0.04150 -1.0 2.0
   52    58   -39    33   0.06250  1.0 1.0
   52    58   -39    33  -0.01100 -1.0 2.0
   52    58   -39    33   0.28050  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    68   0.43200  1.0 3.0
   53    52    58    39   0.23400  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   58    52    60    61   0.15000  1.0 3.0
   58    52    60    62   0.15000  1.0 3.0
   58    52    60    63   0.15000  1.0 3.0
   58    68    69    70   3.62500 -1.0 2.0
   58    68    69    71   3.62500 -1.0 2.0
   58    68    76    74   3.62500 -1.0 2.0
   58    68    76    77   3.62500 -1.0 2.0
   59    58    68    69   0.00000  1.0 1.0
   59    58    68    76   0.00000  1.0 1.0
   59    58    39    33   0.37050  1.0 3.0
   68    58    39    33   0.37500  1.0 3.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    76    74   3.62500 -1.0 2.0
   69    68    76    77   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    78   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    68   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    78    83   1.63200 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    78    83    84   0.08050  1.0 3.0
   74    78    83    85   0.08050  1.0 3.0
   74    78    83    86   0.08050  1.0 3.0
   76    68    69    70   3.62500 -1.0 2.0
   76    68   -69    71   3.62500 -1.0 2.0
   76    74    78    83   1.63200 -1.0 2.0
   78    74    76    68   3.62500 -1.0 2.0
   78    74    76    77   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    78   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    49    44   0.61850  1.0 1.0
   39    33    49    44  -0.22750 -1.0 2.0
   39    33    49    44   0.15300  1.0 3.0
   39    33   -49    52   0.62750  1.0 1.0
   39    33   -49    52  -0.30950 -1.0 2.0
   39    33   -49    52   0.27300  1.0 3.0
   39    33    49    54   1.11900  1.0 1.0
   39    33    49    54  -1.16350 -1.0 2.0
   39    33    49    54  -0.34150  1.0 3.0
   39    58    68    69   0.64500  1.0 1.0
   39    58    68    69   0.14800 -1.0 2.0
   39    58    68    69   0.20650  1.0 3.0
   39    58    68    76   0.64500  1.0 1.0
   39    58    68    76   0.14800 -1.0 2.0
   39    58    68    76   0.20650  1.0 3.0
   60    52    58    59   0.15000  1.0 3.0
   60    52    58    68  -0.03700  1.0 1.0
   60    52    58    68   0.37200 -1.0 2.0
   60    52    58    68  -0.47300  1.0 3.0
   60    52    58    39   0.62750  1.0 1.0
   60    52    58    39  -0.30950 -1.0 2.0
   60    52    58    39   0.27300  1.0 3.0
   54    49    52    53   0.23400  1.0 3.0
   54    49    52    58   0.62750  1.0 1.0
   54    49    52    58  -0.30950 -1.0 2.0
   54    49    52    58   0.27300  1.0 3.0
   54    49    52    60   0.62750  1.0 1.0
   54    49    52    60  -0.30950 -1.0 2.0
   54    49    52    60   0.27300  1.0 3.0
   46    41    44    45   7.00000 -1.0 2.0
   46    41    44    49   7.00000 -1.0 2.0
   46    50    55    56   7.00000 -1.0 2.0
   46    50    55    57   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    55   0.00000  1.0 1.0
   48    46    50    51   0.33100  1.0 3.0
   48    46    50    55   0.00000  1.0 1.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    57   7.00000 -1.0 2.0
   42    40    41    44   0.50950  1.0 1.0
   42    40    41    44   0.56650 -1.0 2.0
   42    40    41    44   0.34050  1.0 3.0
   42    40    41    46   1.08500 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   40    46    41    44   1.10000 -1.0 2.0
   49    45    44    41   1.10000 -1.0 2.0
   69    76    68    58   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    78    74    73   4.00000 -1.0 2.0
   74    77    76    68   1.10000 -1.0 2.0
   46    51    50    55  15.00000 -1.0 2.0
   56    57    55    50  15.00000 -1.0 2.0
END
