* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    249     478
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02039    91.25838    38.37341
    3     1 S   H    _H1_     3     1.02103    32.92866   162.13442
    4     1 S   H    _H2_     4     1.02101    89.23979   -70.32683
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.80962    98.53275  -178.17587
   34    33 S   HC   _H7_    37     1.08917   109.44409    43.44191
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C7_    38     1.50562   107.22135   159.98645
   39    33 S   CT   _C21    83     1.51393   111.14098   -79.69629
   40    39 S   HC   _H26    84     1.09554   110.85461   -57.89388
   41    39 S   HC   _H27    85     1.09695   112.35000  -179.36388
   42    39 S   HC   _H28    86     1.09603   110.55918    61.31752
   43    38 S   CM   _C8_    39     1.35471   125.08897    62.32894
   44    38 S   CT   _C6_    68     1.51882   114.33443  -119.53519
   45    44 S   HC   _H11    69     1.10730   105.90199  -154.80713
   46    44 S   HC   _H12    70     1.10587   111.17223   -43.38482
   47    43 S   OS   _O33    40     1.39040   119.38714  -176.39294
   48    43 S   OH   _O38    81     1.38163   123.70292     1.22397
   49    48 S   HO   _H25    82     0.95979   109.38766   180.00000
   50    47 S   CT   _C9_    41     1.42004   111.98705  -115.01834
   51    50 S   HC   _H4_    42     1.09533   110.31791    17.81854
   52    50 S   CT   _C12    43     1.53179   112.58221   140.26127
   53    52 S   HC   _H6_    44     1.08947   111.01161   -81.83527
   54    50 S   CT   _C10    55     1.51738   113.81394  -102.47264
   55    54 S   HC   _H5_    56     1.09533   112.40762    78.22362
   56    52 S   CM   _C13    45     1.50870   120.76781    46.52063
   57    54 S   OH   _O37    57     1.42144   110.97732   -42.78940
   58    57 S   HO   _H24    58     0.97074   106.71343  -172.93267
   59    56 S   CM   _C14    46     1.33699   109.65446   127.48635
   60    59 S   HC   _H15    47     1.07723   125.28204   176.86906
   61    56 S   CT   _C16    59     1.49052   125.32650   -55.32383
   62    61 S   HC   _H18    60     1.09973   110.72337    78.18071
   63    61 S   HC   _H19    61     1.10097   109.71781  -163.31169
   64    59 S   CT   _C15    48     1.48781   110.70479    -1.45643
   65    64 S   HC   _H16    49     1.09216   109.65464   107.42406
   66    64 S   HC   _H17    50     1.09230   110.24278  -133.67219
   67    61 S   OS   _O34    62     1.43518   109.92005   -40.73994
   68    52 S   NTH0 _N4_    51     1.50408   102.82555   162.86697
   69    67 S   CO4  _C17    63     1.36436   115.90209  -178.92680
   70    69 S   O    _O35    64     1.22516   125.10874    11.30197
   71    68 S   CT   _C11    52     1.48840   107.20683   -25.52831
   72    71 S   HC   _H13    53     1.09755   113.44867  -123.30235
   73    71 S   HC   _H14    54     1.09865   106.82755   119.07626
   74    69 S   CT   _C18    65     1.53198   110.87852  -165.40026
   75    74 S   CT   _C5_    66     1.56375   111.63425    70.74911
   76    75 S   HC   _H3_    67     1.13532   104.84947   163.44606
   77    74 S   CT   _C19    75     1.52963   111.53336   -58.06058
   78    77 S   HC   _H20    76     1.08621   109.39456   180.00000
   79    77 S   HC   _H21    77     1.08568   109.42299    60.01953
   80    77 S   HC   _H22    78     1.08597   109.41920   -60.01133
   81    74 S   OH   _O36    79     1.43477   105.40467  -173.74800
   82    81 S   HO   _H23    80     0.96971   106.56568   -60.03089
   83    75 S   CT   _C4_    71     1.54060   111.07216    50.09652
   84    83 S   HC   _H8_    72     1.08427   109.14700   -67.05664
   85    83 S   HC   _H9_    73     1.08431   109.11636   172.99358
   86    83 S   HC   _H10    74     1.08361   109.14394    52.96605
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  16   5   2   1   1  11  14   5   4  12   2
   1  15   8  18   7   9   6  12   5   1  10   5   8   3   2   6
   3   2   6   3  11   4   2   1   1  12  11   6   6   3   2   1
   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    44    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    47    75    44    45    46    48    39    40    41    42  
   38    43    44    39    40    41    42  
   36    37  
   37  
    0  
   43    47    50    74    75    76    44    45    46    83    48    49    39    40    41    42  
   40    41    42    43    44  
   41    42  
   42  
    0  
   47    50    51    52    54    75    44    45    46    48    49  
   45    46    83    84    85    86    77    81    48    47    69    74    75    76  
   46    83    74    75    76  
   83    74    75    76  
   50    51    52    53    56    68    71    54    55    57    48    49  
   49    50  
    0  
   51    52    53    56    59    64    68    71    72    73    54    55    57    58    61  
   52    53    56    68    71    54    55    57  
   53    56    59    60    64    65    66    68    71    72    73    54    55    57    61    62    63    67  
   56    59    64    68    71    54    61  
   55    57    58    56    64    68    71    72    73  
   57    58    68    71    72    73  
   59    60    64    65    66    68    71    61    62    63    67    69  
   58    68    71    72    73  
   71  
   60    64    65    66    68    71    61    62    63    67  
   64    65    66    68    61  
   62    63    67    69    70    74    64    68  
   63    67    69  
   67    69  
   65    66    68    71    72    73  
   66    68    71  
   68    71  
   69    70    74    75    77    81  
   71    72    73  
   70    74    75    76    83    77    78    79    80    81    82  
   74    75    77    81  
   72    73  
   73  
    0  
   75    76    83    84    85    86    77    78    79    80    81    82  
   76    83    84    85    86    77    78    79    80    81    82  
   83    84    85    86    77    81  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.090000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    39   268.000  1.529
   38    43   549.000  1.340
   38    44   317.000  1.510
   43    47   440.000  1.360
   43    48   510.000  1.338
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    68   310.000  1.447
   56    59   549.000  1.340
   56    61   317.000  1.510
   59    60   340.000  1.080
   59    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   310.000  1.447
   68    71   310.000  1.447
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    54   268.000  1.529
   54    55   340.000  1.090
   54    57   320.000  1.410
   57    58   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    69   214.000  1.327
   69    70   570.000  1.229
   69    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    81   320.000  1.410
   75    76   340.000  1.090
   75    44   268.000  1.529
   75    83   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    47    80.00000  120.01400
   38    43    48    80.00000  121.38400
   38    44    75    70.00000  112.02700
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   43    47    50    90.00000  111.18400
   43    48    49    70.00000  107.45700
   47    50    51    35.00000  109.50000
   47    50    52    50.00000  109.50000
   47    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    52    68    75.00000  113.73300
   50    54    71    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    50.00000  109.50000
   52    50    51    37.50000  110.70000
   52    56    59    70.00000  124.00000
   52    56    61    65.00000  117.92700
   52    68    64    80.00000  110.40700
   52    68    71    80.00000  110.40700
   56    52    53    35.00000  109.50000
   56    59    60    35.00000  120.00000
   56    59    64    70.00000  124.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    67    85.00000  110.90400
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    75.00000  110.70900
   64    59    60    35.00000  117.00000
   64    68    71    80.00000  110.40700
   66    64    65    33.00000  107.80000
   68    52    53    50.00000  110.15500
   68    52    56    75.00000  110.70900
   68    64    65    50.00000  110.15500
   68    64    66    50.00000  110.15500
   68    71    72    50.00000  110.15500
   68    71    73    50.00000  110.15500
   68    71    54    75.00000  113.73300
   71    54    55    37.50000  110.70000
   71    54    57    50.00000  109.50000
   73    71    72    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    71    72    37.50000  110.70000
   54    71    73    37.50000  110.70000
   54    57    58    55.00000  108.50000
   57    54    55    35.00000  109.50000
   61    56    59    70.00000  124.00000
   61    67    69    83.00000  116.90000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   67    69    70    83.00000  123.40000
   67    69    74    81.00000  111.40000
   69    74    75    63.00000  111.10000
   69    74    77    63.00000  111.10000
   69    74    81    90.00000  109.61100
   74    69    70    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    44    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    55.00000  108.50000
   75    44    45    37.50000  110.70000
   75    44    46    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   44    38    43    70.00000  124.00000
   44    75    76    37.50000  110.70000
   46    44    45    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    44    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    50.00000  109.50000
   81    74    77    50.00000  109.50000
   48    43    47   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    47   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    44    75   0.46850  1.0 1.0
   33    38    44    75   0.08550 -1.0 2.0
   33    38    44    75   0.09800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    47    50  -2.26850  1.0 1.0
   38    43    47    50   3.39050 -1.0 2.0
   38    43    48    49  -0.66100  1.0 1.0
   38    43    48    49   1.20850 -1.0 2.0
   38    43    48    49  -0.36000  1.0 3.0
   43    38    44    75   0.09850  1.0 1.0
   43    38    44    75   0.15250 -1.0 2.0
   43    38    44    75  -0.50650  1.0 3.0
   43    38    44    45   0.00000  1.0 1.0
   43    38    44    46   0.00000  1.0 1.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    52  -0.46850  1.0 1.0
   43    47    50    52   0.09300 -1.0 2.0
   43    47    50    52  -0.12850  1.0 3.0
   43    47    50    54  -0.46850  1.0 1.0
   43    47    50    54   0.09300 -1.0 2.0
   43    47    50    54  -0.12850  1.0 3.0
   47    43    48    49   2.00000 -1.0 2.0
   47    50    52    53   0.23400  1.0 3.0
   47    50    52    56   0.61850  1.0 1.0
   47    50    52    56  -0.22750 -1.0 2.0
   47    50    52    56   0.15300  1.0 3.0
   47    50    52    68   0.63850  1.0 1.0
   47    50    52    68   0.02700 -1.0 2.0
   47    50    54    71   0.62750  1.0 1.0
   47    50    54    71  -0.30950 -1.0 2.0
   47    50    54    71   0.27300  1.0 3.0
   47    50    54    55   0.23400  1.0 3.0
   47    50    54    57   3.69350  1.0 1.0
   47    50    54    57  -1.82950 -1.0 2.0
   50    52    56    59   0.09850  1.0 1.0
   50    52    56    59   0.15250 -1.0 2.0
   50    52    56    59  -0.50650  1.0 3.0
   50    52    56    61   0.46850  1.0 1.0
   50    52    56    61   0.08550 -1.0 2.0
   50    52    56    61   0.09800  1.0 3.0
   50    52    68    64   1.99000  1.0 1.0
   50    52    68    64   0.18800 -1.0 2.0
   50    52    68    64   0.81350  1.0 3.0
   50    52   -68    71   1.99000  1.0 1.0
   50    52   -68    71   0.18800 -1.0 2.0
   50    52   -68    71   0.81350  1.0 3.0
   50    54    57    58  -0.11600  1.0 1.0
   50    54    57    58  -0.09450 -1.0 2.0
   50    54    57    58   0.21250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    68   0.15000  1.0 3.0
   51    50    54    71   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.23400  1.0 3.0
   52    50   -54    71   0.56750  1.0 1.0
   52    50   -54    71  -0.07550 -1.0 2.0
   52    50   -54    71   0.20000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.86500  1.0 1.0
   52    50    54    57  -0.17500 -1.0 2.0
   52    50    54    57   0.20800  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56   -59    64   7.00000 -1.0 2.0
   52    56    61    62   0.34800  1.0 3.0
   52    56    61    63   0.34800  1.0 3.0
   52    56    61    67   0.09700  1.0 1.0
   52    56    61    67   0.15600 -1.0 2.0
   52    56    61    67  -0.50800  1.0 3.0
   52    68    71    72   0.28000  1.0 3.0
   52    68    71    73   0.28000  1.0 3.0
   52    68   -71    54   1.99000  1.0 1.0
   52    68   -71    54   0.18800 -1.0 2.0
   52    68   -71    54   0.81350  1.0 3.0
   53    52    56    59   0.00000  1.0 1.0
   53    52    56    61   0.34800  1.0 3.0
   53    52    68    64   0.28000  1.0 3.0
   53    52    68    71   0.28000  1.0 3.0
   56    52   -68    64  -0.60800  1.0 1.0
   56    52   -68    64   1.10050 -1.0 2.0
   56    52   -68    64   0.47000  1.0 3.0
   56    52    68    71  -0.60800  1.0 1.0
   56    52    68    71   1.10050 -1.0 2.0
   56    52    68    71   0.47000  1.0 3.0
   56    59    64    65   0.00000  1.0 1.0
   56    59    64    66   0.00000  1.0 1.0
   56    59   -64    68   0.90200  1.0 1.0
   56    59   -64    68   0.57900 -1.0 2.0
   56    59   -64    68  -0.62100  1.0 3.0
   56    61    67    69  -0.82050  1.0 1.0
   56    61    67    69   0.00600 -1.0 2.0
   56    61    67    69   0.04400  1.0 3.0
   59    56    61    62   0.00000  1.0 1.0
   59    56    61    63   0.00000  1.0 1.0
   59    56    61    67   0.39000  1.0 1.0
   59    56    61    67  -0.05800 -1.0 2.0
   59    56    61    67  -0.55150  1.0 3.0
   59    64   -68    52  -0.60800  1.0 1.0
   59    64   -68    52   1.10050 -1.0 2.0
   59    64   -68    52   0.47000  1.0 3.0
   59    64    68    71  -0.60800  1.0 1.0
   59    64    68    71   1.10050 -1.0 2.0
   59    64    68    71   0.47000  1.0 3.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    66   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   64    68    71    72   0.28000  1.0 3.0
   64    68    71    73   0.28000  1.0 3.0
   64    68    71    54   1.99000  1.0 1.0
   64    68    71    54   0.18800 -1.0 2.0
   64    68    71    54   0.81350  1.0 3.0
   65    64    68    52   0.28000  1.0 3.0
   65    64    68    71   0.28000  1.0 3.0
   66    64    68    52   0.28000  1.0 3.0
   66    64    68    71   0.28000  1.0 3.0
   68    52   -56    59   0.90200  1.0 1.0
   68    52   -56    59   0.57900 -1.0 2.0
   68    52   -56    59  -0.62100  1.0 3.0
   68    52    56    61   0.52100  1.0 1.0
   68    52    56    61  -0.20350 -1.0 2.0
   68    52    56    61   0.29750  1.0 3.0
   68    71   -54    50   1.53400  1.0 1.0
   68    71   -54    50  -0.09950 -1.0 2.0
   68    71   -54    50   0.05700  1.0 3.0
   68    71    54    55   0.15000  1.0 3.0
   68    71    54    57   3.18500  1.0 1.0
   71    54    57    58  -0.11600  1.0 1.0
   71    54    57    58  -0.09450 -1.0 2.0
   71    54    57    58   0.21250  1.0 3.0
   72    71    54    50   0.15000  1.0 3.0
   72    71    54    55   0.15000  1.0 3.0
   72    71    54    57   0.23400  1.0 3.0
   73    71    54    50   0.15000  1.0 3.0
   73    71    54    55   0.15000  1.0 3.0
   73    71    54    57   0.23400  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.34400  1.0 1.0
   54    50    52    56   0.09450 -1.0 2.0
   54    50    52    56   0.11100  1.0 3.0
   54    50   -52    68   1.53400  1.0 1.0
   54    50   -52    68  -0.09950 -1.0 2.0
   54    50   -52    68   0.05700  1.0 3.0
   55    54    57    58   0.19450  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    64   7.00000 -1.0 2.0
   61    67    69    70   3.00000 -1.0 2.0
   61    67    69    74   1.63150  1.0 1.0
   61    67    69    74   2.92000 -1.0 2.0
   62    61    67    69   0.08050  1.0 3.0
   63    61    67    69   0.08050  1.0 3.0
   67    69    74    75   0.36750  1.0 3.0
   67    69    74    77   0.36750  1.0 3.0
   67    69    74    81   0.30750  1.0 1.0
   67    69    74    81   1.13850 -1.0 2.0
   67    69    74    81   0.38850  1.0 3.0
   69    74    75    76  -0.11250  1.0 3.0
   69    74    75    44  -0.95700  1.0 1.0
   69    74    75    44  -0.18200 -1.0 2.0
   69    74    75    44   0.29450  1.0 3.0
   69    74    75    83  -0.95700  1.0 1.0
   69    74    75    83  -0.18200 -1.0 2.0
   69    74    75    83   0.29450  1.0 3.0
   69    74    77    78  -0.11250  1.0 3.0
   69    74    77    79  -0.11250  1.0 3.0
   69    74    77    80  -0.11250  1.0 3.0
   69    74    81    82   0.91850  1.0 1.0
   69    74    81    82   0.57950  1.0 3.0
   70    69    74    75   0.30150 -1.0 2.0
   70    69    74    77   0.30150 -1.0 2.0
   70    69    74    81   0.30150 -1.0 2.0
   74    75    44    38   0.34400  1.0 1.0
   74    75    44    38   0.09450 -1.0 2.0
   74    75    44    38   0.11100  1.0 3.0
   74    75    44    45   0.15000  1.0 3.0
   74    75    44    46   0.15000  1.0 3.0
   74    75    83    84   0.15000  1.0 3.0
   74    75    83    85   0.15000  1.0 3.0
   74    75    83    86   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    81    82  -0.11600  1.0 1.0
   75    74    81    82  -0.09450 -1.0 2.0
   75    74    81    82   0.21250  1.0 3.0
   76    75    44    38   0.15000  1.0 3.0
   76    75    44    45   0.15000  1.0 3.0
   76    75    44    46   0.15000  1.0 3.0
   76    75    83    84   0.15000  1.0 3.0
   76    75    83    85   0.15000  1.0 3.0
   76    75    83    86   0.15000  1.0 3.0
   44    38    43    47   7.00000 -1.0 2.0
   44    38    43    48   7.00000 -1.0 2.0
   44    75    83    84   0.15000  1.0 3.0
   44    75    83    85   0.15000  1.0 3.0
   44    75    83    86   0.15000  1.0 3.0
   83    75    44    38   0.34400  1.0 1.0
   83    75    44    38   0.09450 -1.0 2.0
   83    75    44    38   0.11100  1.0 3.0
   83    75    44    45   0.15000  1.0 3.0
   83    75    44    46   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    44   0.56750  1.0 1.0
   77    74    75    44  -0.07550 -1.0 2.0
   77    74    75    44   0.20000  1.0 3.0
   77    74    75    83   0.56750  1.0 1.0
   77    74    75    83  -0.07550 -1.0 2.0
   77    74    75    83   0.20000  1.0 3.0
   77    74    81    82  -0.11600  1.0 1.0
   77    74    81    82  -0.09450 -1.0 2.0
   77    74    81    82   0.21250  1.0 3.0
   81    74    75    76   0.23400  1.0 3.0
   81    74    75    44   0.86500  1.0 1.0
   81    74    75    44  -0.17500 -1.0 2.0
   81    74    75    44   0.20800  1.0 3.0
   81    74    75    83   0.86500  1.0 1.0
   81    74    75    83  -0.17500 -1.0 2.0
   81    74    75    83   0.20800  1.0 3.0
   81    74    77    78   0.23400  1.0 3.0
   81    74    77    79   0.23400  1.0 3.0
   81    74    77    80   0.23400  1.0 3.0
   48    43    47    50   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    43   1.10000 -1.0 2.0
   47    48    43    38   1.10000 -1.0 2.0
   52    61    56    59   1.10000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   67    74    69    70  10.50000 -1.0 2.0
END
