* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    160    249     465
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065    95.57324   -59.18405
    3     1 S   H    _H1_     3     1.02086    84.36133    49.08323
    4     1 S   H    _H2_     4     1.02130    34.05609  -174.71917
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.48971    58.89540
   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   S    _S1_    36     2.05073   101.84148   159.97612
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C19    37     1.83701   101.00312  -119.96122
   38    37 S   C    _C20    38     1.52107   107.91141   -60.02555
   39    38 S   O    _O36    39     1.23419   120.35130    78.46675
   40    37 S   CT   _C18    71     1.54778   108.63104    64.06976
   41    40 S   HC   _H4_    72     1.09541   113.91618   -35.15748
   42    38 S   N    _N6_    40     1.40244   115.31173   -98.31976
   43    40 S   OH   _O37    73     1.43011   109.55918  -155.82475
   44    43 S   HO   _H21    74     0.96890   106.22792    67.09502
   45    42 S   CT   _C5_    41     1.48796   122.65195    16.93788
   46    42 S   CT   _C21    83     1.46430   117.54769  -175.39981
   47    46 S   HC   _H18    84     1.09343   110.07230    89.98186
   48    46 S   HC   _H19    85     1.09329   110.20737   -29.92259
   49    46 S   HC   _H20    86     1.09296   110.23132  -149.96093
   50    45 S   C    _C6_    42     1.53551   111.50245   -39.20583
   51    50 S   O    _O33    43     1.23342   121.85138  -165.20233
   52    45 S   CT   _C4_    77     1.54444   112.30240  -158.77082
   53    52 S   HC   _H5_    78     1.08313   108.93771   -57.56430
   54    52 S   HC   _H6_    79     1.08230   108.96460  -177.55159
   55    52 S   HC   _H7_    80     1.08275   108.96735    62.38678
   56    45 S   SH   _S2_    81     1.83539   111.63664    81.63874
   57    56 S   HS   _H23    82     1.33840    95.19563   177.07993
   58    37 S   N    _N4_    44     1.46019   112.66260   178.12424
   59    58 S   CP1  _C7_    45     1.46758   112.44932   -94.67293
   60    59 S   HC   _H3_    46     1.09782   109.46534   118.62627
   61    59 S   CT   _C8_    47     1.55370   104.70481    -2.48711
   62    59 S   NE   _N5_    56     1.47202   113.02673  -117.44418
   63    61 S   CA   _C9_    48     1.49452   101.81333  -139.76324
   64    62 S   CT   _C15    57     1.44428   123.56400   -77.45824
   65    64 S   HC   _H9_    58     1.09316   110.05118    36.88822
   66    64 S   HC   _H10    59     1.09299   110.25586   -83.04073
   67    64 S   HC   _H11    60     1.09361   110.25132   156.92288
   68    61 S   OH   _O38    75     1.41659   110.65676   102.76806
   69    68 S   HO   _H22    76     0.97273   107.02732    51.98808
   70    63 S   CA   _C10    49     1.38684   128.73310  -168.87992
   71    70 S   HA   _H8_    50     1.08556   120.28243     0.86139
   72    70 S   CA   _C11    51     1.39251   118.21249  -178.88110
   73    72 S   Cl   Cl1_    52     1.72689   118.73594  -179.86583
   74    72 S   CA   _C12    53     1.40134   120.39908     0.27554
   75    74 S   CA   _C13    54     1.39949   120.75212     0.07402
   76    74 S   OS   _O35    66     1.36714   120.16619   179.86878
   77    63 S   CA   _C14    55     1.40172   109.14892    12.43868
   78    75 S   OS   _O34    61     1.36059   118.64531   179.55677
   79    76 S   CT   _C17    67     1.42344   116.86291    90.22335
   80    79 S   HC   _H15    68     1.09316   109.49753  -179.94405
   81    79 S   HC   _H16    69     1.09202   109.60602    59.19803
   82    79 S   HC   _H17    70     1.09336   108.96244   -60.46656
   83    78 S   CT   _C16    62     1.42754   117.08009   -89.88875
   84    83 S   HC   _H12    63     1.09238   109.52907   179.97202
   85    83 S   HC   _H13    64     1.09271   109.52310    59.19890
   86    83 S   HC   _H14    65     1.09256   108.95257   -60.37771
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  18  16   5  15   7  14   6   1  14   6   2   1
   1  12   4   6   3   2   1   2   1   8  13   6  10  11  11   5
   3   2   1   3   1   7   4   7   3   9   8   6   2   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    58    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    50    58    59    61    40    41    43  
   35    36  
   36  
    0  
   38    39    42    45    50    51    58    59    60    61    63    62    40    41    43    44    68    46  
   39    42    45    50    58    59    61    40    41    43    52    56    46    47    48    49  
   42    45    58    40    46  
   41    43    44    68    69    42    50    58    59    60    61    62    63    70    77  
   43    44    68    58    59    61    63  
   45    50    51    58    52    53    54    55    56    57    46    47    48    49  
   44    68    58    59    61    63  
   61  
   50    51    58    59    52    53    54    55    56    57    46    47    48    49  
   47    48    49    50    52    56  
   48    49  
   49  
    0  
   51    58    59    60    61    62    52    53    54    55    56    57  
   58    59    52    56  
   53    54    55    56    57    58  
   54    55    56  
   55    56  
   56  
   57    58  
    0  
   59    60    61    63    77    62    64    68  
   60    61    63    70    75    77    62    64    65    66    67    68    69  
   61    63    77    62    64    68  
   63    70    71    72    75    77    62    64    68    69  
   64    65    66    67    78    68    63    70    74    75    77  
   70    71    72    73    74    75    77    64    78    68    69  
   65    66    67    75    77  
   66    67    77  
   67    77  
   77  
   69    70    77  
    0  
   71    72    73    74    75    77    76  
   72    73    74    77  
   73    74    75    77    78    76    79  
   74    75    76  
   75    77    78    83    76    79    80    81    82  
   77    78    83    84    85    86    76    79  
   79    80    81    82    77    78  
   78    83  
   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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   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   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   57   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   59   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   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   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    58   337.000  1.449
   37    40   268.000  1.529
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    45   337.000  1.449
   42    46   337.000  1.449
   45    50   317.000  1.522
   45    52   268.000  1.529
   45    56   222.000  1.810
   50    51   570.000  1.229
   50    58   490.000  1.335
   58    59   337.000  1.449
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   382.000  1.448
   61    63   317.000  1.510
   61    40   268.000  1.529
   61    68   320.000  1.410
   63    70   469.000  1.400
   63    77   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   300.000  1.725
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   469.000  1.400
   75    78   450.000  1.364
   77    62   481.000  1.340
   62    64   382.000  1.448
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   76    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   68    69   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   274.000  1.336
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    58    80.00000  108.62000
   33    37    40    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    42    70.00000  116.60000
   37    58    50    50.00000  121.90000
   37    58    59    50.00000  118.00000
   37    40    61    58.35000  112.70000
   37    40    41    37.50000  110.70000
   37    40    43    50.00000  109.50000
   38    42    45    50.00000  121.90000
   38    42    46    50.00000  121.90000
   42    38    39    80.00000  122.90000
   42    45    50    75.00000  110.24000
   42    45    52    70.00000  110.72300
   42    45    56    80.00000  108.62000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   45    50    51    80.00000  120.40000
   45    50    58    70.00000  116.60000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   45    56    57    44.00000   96.00000
   50    58    59    50.00000  121.90000
   58    37    38    75.00000  110.24000
   58    50    51    80.00000  122.90000
   58    59    60    35.00000  109.50000
   58    59    61    80.00000  109.70000
   58    59    62    90.00000  107.82800
   59    61    63    70.00000  112.17500
   59    61    40    58.35000  112.70000
   59    61    68    50.00000  109.50000
   59    62    77    50.00000  120.00000
   59    62    64    50.00000  115.00000
   61    59    60    37.50000  110.70000
   61    63    70    70.00000  120.00000
   61    63    77    70.00000  120.00000
   61    40    41    37.50000  110.70000
   61    40    43    50.00000  109.50000
   61    68    69    55.00000  108.50000
   63    70    71    35.00000  120.00000
   63    70    72    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    62    70.00000  120.10000
   70    72    73    75.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    75.00000  120.00000
   74    75    77    63.00000  120.00000
   74    75    78    70.00000  120.00000
   74    76    79    75.00000  111.00000
   75    77    62    70.00000  120.10000
   75    78    83    75.00000  111.00000
   77    63    70    63.00000  120.00000
   77    62    64    50.00000  120.00000
   62    59    60    35.00000  109.50000
   62    59    61    80.00000  111.61500
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    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
   78    75    77    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
   76    74    75    70.00000  120.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    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
   40    37    38    63.00000  111.10000
   40    37    58    70.00000  110.72300
   40    61    63    70.00000  112.17500
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   68    61    63    90.00000  112.51600
   68    61    40    50.00000  109.50000
   52    45    50    63.00000  111.10000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    45    50    70.00000  113.82000
   56    45    52    50.00000  108.60000
   46    42    45    50.00000  118.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    58   0.00000  1.0 1.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    42   0.00000  1.0 1.0
   33    37    58    50  -0.42300  1.0 1.0
   33    37    58    50  -0.07000 -1.0 2.0
   33    37    58    50   0.04150  1.0 3.0
   33    37    58    59   0.17850 -1.0 2.0
   33    37    40    61   0.44750  1.0 1.0
   33    37    40    61  -0.17800 -1.0 2.0
   33    37    40    61   0.20200  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    43   0.56750  1.0 1.0
   33    37    40    43  -0.07550 -1.0 2.0
   33    37    40    43   0.20000  1.0 3.0
   37    38    42    45   1.49850  1.0 1.0
   37    38    42    45   1.53950 -1.0 2.0
   37    38    42    46   1.49850  1.0 1.0
   37    38    42    46   1.53950 -1.0 2.0
   37    58    59    60   0.00000  1.0 1.0
   37    58   -59    61  -0.05900 -1.0 2.0
   37    58    59    62   0.17850 -1.0 2.0
   37    40    43    44  -0.11600  1.0 1.0
   37    40    43    44  -0.09450 -1.0 2.0
   37    40    43    44   0.21250  1.0 3.0
   38    37    58    50  -0.42300  1.0 1.0
   38    37    58    50  -0.07000 -1.0 2.0
   38    37    58    50   0.04150  1.0 3.0
   38    37    58    59   0.17850 -1.0 2.0
   38    37    40    61  -0.95700  1.0 1.0
   38    37    40    61  -0.18200 -1.0 2.0
   38    37    40    61   0.29450  1.0 3.0
   38    37    40    41  -0.11250  1.0 3.0
   38    37    40    43  -0.09450  1.0 1.0
   38    37    40    43  -1.12950 -1.0 2.0
   38    37    40    43   0.54000  1.0 3.0
   38    42   -45    50  -0.42300  1.0 1.0
   38    42   -45    50  -0.07000 -1.0 2.0
   38    42   -45    50   0.04150  1.0 3.0
   38    42    45    52  -0.43950  1.0 1.0
   38    42    45    52  -0.08100 -1.0 2.0
   38    42    45    52   0.03350  1.0 3.0
   38    42    45    56  -0.42300  1.0 1.0
   38    42    45    56  -0.07000 -1.0 2.0
   38    42    45    56   0.04150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    42    45   3.04450 -1.0 2.0
   39    38    42    46   3.04450 -1.0 2.0
   42    45    50    51   0.30150 -1.0 2.0
   42    45    50    58   0.00000  1.0 1.0
   42    45    52    53   0.15000  1.0 3.0
   42    45    52    54   0.15000  1.0 3.0
   42    45    52    55   0.15000  1.0 3.0
   42    45    56    57   0.00000  1.0 1.0
   45    42    46    47   0.00000  1.0 1.0
   45    42    46    48   0.00000  1.0 1.0
   45    42    46    49   0.00000  1.0 1.0
   45    50   -58    37   1.49850  1.0 1.0
   45    50   -58    37   1.53950 -1.0 2.0
   45    50    58    59   1.15000  1.0 1.0
   45    50    58    59   3.04450 -1.0 2.0
   50    45    52    53  -0.11250  1.0 3.0
   50    45    52    54  -0.11250  1.0 3.0
   50    45    52    55  -0.11250  1.0 3.0
   50    45    56    57   0.00000  1.0 1.0
   50    58    59    60   0.00000  1.0 1.0
   50    58    59    61   0.25950  1.0 1.0
   50    58    59    61   0.43850 -1.0 2.0
   50    58    59    61   2.61650  1.0 3.0
   50    58    59    62  -0.50000 -1.0 2.0
   51    50    58    37   3.04450 -1.0 2.0
   51    50    58    59   3.04450 -1.0 2.0
   58    37    38    39   0.30150 -1.0 2.0
   58    37   -38    42   0.00000  1.0 1.0
   58    37   -40    61   0.43900  1.0 1.0
   58    37   -40    61   0.49100 -1.0 2.0
   58    37   -40    61   0.28400  1.0 3.0
   58    37    40    41   0.15000  1.0 3.0
   58    37    40    43   2.76900  1.0 1.0
   58    37    40    43  -0.24350 -1.0 2.0
   58    37    40    43  -0.78250  1.0 3.0
   58    59    61    63   0.08550  1.0 1.0
   58    59    61    63   1.07500 -1.0 2.0
   58    59    61    63  -0.10950  1.0 3.0
   58    59   -61    40   0.42250  1.0 1.0
   58    59   -61    40  -0.48100 -1.0 2.0
   58    59   -61    40   0.35650  1.0 3.0
   58    59    61    68   2.76900  1.0 1.0
   58    59    61    68  -0.24350 -1.0 2.0
   58    59    61    68  -0.78250  1.0 3.0
   58    59    62    77  -0.12500  1.0 1.0
   58    59    62    77  -0.12500 -1.0 2.0
   58    59    62    77   0.25000  1.0 3.0
   58    59    62    64   0.00000  1.0 1.0
   59    61    63    70   0.04150 -1.0 2.0
   59    61   -63    77   0.04150 -1.0 2.0
   59    61   -40    37   0.56750  1.0 1.0
   59    61   -40    37  -0.07550 -1.0 2.0
   59    61   -40    37   0.20000  1.0 3.0
   59    61    40    41   0.15000  1.0 3.0
   59    61    40    43   0.86500  1.0 1.0
   59    61    40    43  -0.17500 -1.0 2.0
   59    61    40    43   0.20800  1.0 3.0
   59    61    68    69  -0.11600  1.0 1.0
   59    61    68    69  -0.09450 -1.0 2.0
   59    61    68    69   0.21250  1.0 3.0
   59    62    64    65   0.00000  1.0 1.0
   59    62    64    66   0.00000  1.0 1.0
   59    62    64    67   0.00000  1.0 1.0
   60    59    61    63   0.43200  1.0 3.0
   60    59    61    40   0.15000  1.0 3.0
   60    59    61    68   0.23400  1.0 3.0
   60    59    62    77   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   61    59   -62    77  -0.12500  1.0 1.0
   61    59   -62    77  -0.12500 -1.0 2.0
   61    59   -62    77   0.25000  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   61    63    70    71   3.62500 -1.0 2.0
   61    63    70    72   3.62500 -1.0 2.0
   61    63    77    75   3.62500 -1.0 2.0
   61    63   -77    62   3.62500 -1.0 2.0
   61    40    43    44  -0.11600  1.0 1.0
   61    40    43    44  -0.09450 -1.0 2.0
   61    40    43    44   0.21250  1.0 3.0
   63    61    40    37  -0.03700  1.0 1.0
   63    61    40    37   0.37200 -1.0 2.0
   63    61    40    37  -0.47300  1.0 3.0
   63    61    40    41   0.43200  1.0 3.0
   63    61    40    43   1.13150  1.0 1.0
   63    61    40    43  -1.01400 -1.0 2.0
   63    61    68    69   0.31900  1.0 1.0
   63    61    68    69  -0.11800 -1.0 2.0
   63    61    68    69   0.38750  1.0 3.0
   63    70    72    73   3.62500 -1.0 2.0
   63    70    72    74   3.62500 -1.0 2.0
   63    77   -62    59  -1.00000  1.0 1.0
   63    77   -62    59   1.25000 -1.0 2.0
   63    77    62    64  -1.00000  1.0 1.0
   63    77    62    64   1.25000 -1.0 2.0
   70    63    77    75   3.62500 -1.0 2.0
   70    63    77    62   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    77   3.62500 -1.0 2.0
   72    74    75    78   3.62500 -1.0 2.0
   72    74    76    79   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75   -77    63   3.62500 -1.0 2.0
   74    75    77    62   3.62500 -1.0 2.0
   74    75    78    83   1.63200 -1.0 2.0
   74    76    79    80   0.08050  1.0 3.0
   74    76    79    81   0.08050  1.0 3.0
   74    76    79    82   0.08050  1.0 3.0
   75    74    76    79   1.63200 -1.0 2.0
   75    77    62    59  -1.00000  1.0 1.0
   75    77    62    59   1.25000 -1.0 2.0
   75    77    62    64  -1.00000  1.0 1.0
   75    77    62    64   1.25000 -1.0 2.0
   75    78    83    84   0.08050  1.0 3.0
   75    78    83    85   0.08050  1.0 3.0
   75    78    83    86   0.08050  1.0 3.0
   77    63    70    71   3.62500 -1.0 2.0
   77    63   -70    72   3.62500 -1.0 2.0
   77    75    78    83   1.63200 -1.0 2.0
   77    62    64    65   0.00000  1.0 1.0
   77    62    64    66   0.00000  1.0 1.0
   77    62    64    67   0.00000  1.0 1.0
   62    59   -61    63   0.08550  1.0 1.0
   62    59   -61    63   1.07500 -1.0 2.0
   62    59   -61    63  -0.10950  1.0 3.0
   62    59    61    40   1.26750  1.0 1.0
   62    59    61    40  -0.00950 -1.0 2.0
   62    59    61    40   0.30600  1.0 3.0
   62    59    61    68   4.07950  1.0 1.0
   62    59    61    68  -0.26450 -1.0 2.0
   62    59    61    68  -0.12150  1.0 3.0
   78    75    77    63   3.62500 -1.0 2.0
   78    75    77    62   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   76    74    75    78   3.62500 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37    38    42   1.39750  1.0 1.0
   40    37    38    42  -0.07950 -1.0 2.0
   40    37    38    42  -0.18750  1.0 3.0
   40    37    58    50  -0.43950  1.0 1.0
   40    37    58    50  -0.08100 -1.0 2.0
   40    37    58    50   0.03350  1.0 3.0
   40    37   -58    59  -0.05900 -1.0 2.0
   40    61    63    70   0.04150 -1.0 2.0
   40    61    63    77   0.04150 -1.0 2.0
   40    61    68    69  -0.11600  1.0 1.0
   40    61    68    69  -0.09450 -1.0 2.0
   40    61    68    69   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   68    61    63    70   0.14300 -1.0 2.0
   68    61    63    70   0.00300  1.0 3.0
   68    61    63    77   0.14300 -1.0 2.0
   68    61    63    77   0.00300  1.0 3.0
   68    61    40    37   0.86500  1.0 1.0
   68    61    40    37  -0.17500 -1.0 2.0
   68    61    40    37   0.20800  1.0 3.0
   68    61    40    41   0.23400  1.0 3.0
   68    61    40    43   3.75450  1.0 1.0
   52    45    50    51   0.30150 -1.0 2.0
   52    45    50    58   1.39750  1.0 1.0
   52    45    50    58  -0.07950 -1.0 2.0
   52    45    50    58  -0.18750  1.0 3.0
   52    45    56    57  -0.37950  1.0 1.0
   52    45    56    57  -0.15600 -1.0 2.0
   52    45    56    57   0.18750  1.0 3.0
   56    45    50    51   0.30150 -1.0 2.0
   56    45    50    58   0.00000  1.0 1.0
   56    45    52    53   0.15000  1.0 3.0
   56    45    52    54   0.15000  1.0 3.0
   56    45    52    55   0.15000  1.0 3.0
   46    42    45    50   0.17850 -1.0 2.0
   46    42    45    52  -0.05900 -1.0 2.0
   46    42    45    56   0.17850 -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
   37    42    38    39  10.50000 -1.0 2.0
   46    38    42    45   1.00000 -1.0 2.0
   45    58    50    51  10.50000 -1.0 2.0
   59    50    58    37   1.00000 -1.0 2.0
   70    77    63    61   4.00000 -1.0 2.0
   72    71    70    63   1.10000 -1.0 2.0
   74    73    72    70   4.00000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   77    78    75    74   4.00000 -1.0 2.0
   75    62    77    63   4.00000 -1.0 2.0
   64    77    62    59   1.00000 -1.0 2.0
END
