* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    153    239     455
    1     0 S   NP   _N1_     1    28.70161    94.39030   -20.97864
    2     1 S   H    _HN1     2     1.02835    30.93137   156.57117
    3     1 S   H    _H1_     3     1.02775    91.25778   -79.19540
    4     1 S   H    _H2_     4     1.02956    88.63246    29.17406
    5     1 S   CT   _CA1     5     1.50167   141.54401   151.11537
    6     5 S   HC   _HA1     6     1.09584   105.10816    62.07031
    7     5 S   CO3  _C1_     7     1.53712   112.60003   -57.77782
    8     7 S   O2Z  _O11     8     1.26348   114.99017   -37.00875
    9     7 S   O2Z  _O12     9     1.26236   114.98282   142.02821
   10     5 S   CT   _CB1    10     1.53114   107.38682   179.86583
   11    10 S   HC   HB11    11     1.09807   108.97327   -50.59942
   12    10 S   HC   HB12    12     1.09813   110.53225    65.89065
   13    10 S   CT   _CG1    13     1.53001   112.76757  -171.83721
   14    13 S   HC   HG11    14     1.09591   110.31600   -68.76472
   15    13 S   HC   HG12    15     1.09587   109.78689    50.30852
   16    13 S   C    _CD1    16     1.51887   112.54388   170.02810
   17    16 S   O    _OE1    17     1.22725   123.22782    -8.04850
   18    16 S   N    _N2_    18     1.38626   111.74596   172.97703
   19    18 S   H    _HN2    19     1.01553   118.93396    -1.55909
   20    18 S   CT1  _CA2    20     1.46302   123.54632   179.89532
   21    20 S   HC   _HA2    21     1.09700   109.37683    -7.05469
   22    20 S   C    _C2_    22     1.53384   108.20300  -123.13291
   23    22 S   O    _O2_    23     1.23024   122.21172  -145.79090
   24    20 S   CT   _CB2    32     1.53460   111.62553   115.02371
   25    24 S   HC   HB21    33     1.09317   109.38175    64.30166
   26    24 S   HC   HB22    34     1.09531   110.46051  -178.02702
   27    22 S   N    _N3_    24     1.38464   113.53986    41.00724
   28    27 S   H    _HN3    25     1.01518   118.91516     0.51396
   29    24 S   S    _SG2    35     1.82428   111.33332   -58.22064
   30    27 S   CT   _CA3    26     1.45409   123.40020   176.41188
   31    30 S   HC   HA31    27     1.09530   109.15725    25.97248
   32    30 S   HC   HA32    28     1.09495   107.13273   142.89423
   33    29 S   CT   _C11    36     1.82591   100.49836   145.12654
   34    33 S   HC   _H5_    37     1.09455   105.47482    70.74271
   35    30 S   CO3  _C3_    29     1.52879   113.10989   -97.54874
   36    35 S   O2Z  _O31    30     1.26394   115.35142   -45.62468
   37    35 S   O2Z  _O32    31     1.26340   114.98023   135.30233
   38    33 S   CM   _C9_    38     1.49501   110.04135  -171.20670
   39    33 S   OS   _O35    51     1.42988   115.65090   -45.37126
   40    38 S   CT   _C8_    39     1.49945   119.87156    89.70187
   41    40 S   HC   _H4_    40     1.10135   107.80608   144.90557
   42    38 S   CMA  _C10    80     1.51656   120.25605   -95.71084
   43    42 S   OM   _O33    81     1.26229   120.56193   -64.31497
   44    42 S   OM   _O34    82     1.26205   120.51519   115.90752
   45    40 S   CT   _C4_    41     1.53677   114.18849   -96.03366
   46    45 S   HC   _H12    42     1.09384   113.78399    30.29402
   47    45 S   HC   _H13    43     1.09494   110.80066   -92.25097
   48    45 S   CM   _C5_    44     1.49126   102.72042   149.20400
   49    48 S   HC   _H14    45     1.08085   123.10745   167.04585
   50    48 S   CM   _C6_    46     1.33913   112.22218   -14.22181
   51    40 S   CT   _C7_    47     1.54505   114.28924    26.17893
   52    51 S   HC   _H3_    48     1.09828   108.36220    94.89183
   53    50 S   CT   _C19    75     1.48934   125.73833  -178.85979
   54    53 S   HC   _H21    76     1.09413   110.65497   114.97848
   55    53 S   HC   _H22    77     1.09467   111.36026    -5.54913
   56    51 S   CO   _C12    49     1.53768   114.54491   -27.80065
   57    56 S   HC   _H6_    50     1.09551   111.20341   -78.79101
   58    53 S   OH   _O42    78     1.42060   109.47191  -124.97979
   59    58 S   HO   _H23    79     0.97202   106.79271  -178.19008
   60    56 S   OS1  _O36    52     1.43639   106.59546   163.39382
   61    60 S   CO1  _C13    53     1.43190   114.16433   172.99526
   62    61 S   HC   _H7_    54     1.09664   109.65773    40.09062
   63    61 S   CT   _C14    55     1.53467   106.40423   158.63526
   64    63 S   HC   _H8_    56     1.09691   110.07276    52.96298
   65    63 S   CT   _C15    57     1.52756   111.23519   175.05629
   66    65 S   HC   _H9_    58     1.09659   110.44019    71.95218
   67    63 S   OH5  _O41    73     1.42997   110.05034   -63.84185
   68    67 S   HO   _H20    74     0.97232   108.23873   -55.57950
   69    65 S   CT   _C16    59     1.52861   110.74666   -50.80444
   70    69 S   HC   _H10    60     1.09649   108.65267   -70.93028
   71    65 S   OH5  _O40    71     1.42951   109.69941  -171.91769
   72    71 S   HO   _H19    72     0.97248   108.11938    60.35149
   73    69 S   CT   _C17    61     1.53479   110.77495    50.80365
   74    73 S   HC   _H11    62     1.09792   110.09037    65.00845
   75    69 S   OH5  _O39    69     1.42691   109.63998   172.50786
   76    75 S   HO   _H18    70     0.97252   108.22445   -58.29410
   77    61 S   OS1  _O37    63     1.43041   110.84598   -81.12510
   78    73 S   CT   _C18    64     1.53273   111.81976  -175.84895
   79    78 S   HC   _H15    65     1.09443   110.99233   -63.04679
   80    78 S   HC   _H16    66     1.09215   110.54705   176.22068
   81    78 S   OH5  _O38    67     1.42276   110.56557    57.31866
   82    81 S   HO   _H17    68     0.97231   107.15630   177.84560
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   2   1   1  14   9  16   9   4   1   1   9   5   4   9
   3  10   9   4   5   3   2   6   2   1   1   8  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   4   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    40    56    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    51    56    57    39    60    42    43    44  
   38    40    56    39    42  
   36    37  
   37  
    0  
   40    41    45    46    47    48    50    51    52    56    39    42    43    44  
   60    61    42    40    50    51    52    56    57  
   41    45    46    47    48    49    50    51    52    56    57    60    53    42    43    44  
   45    46    47    48    50    51    52    56    42  
   43    44    45    51  
   44  
    0  
   46    47    48    49    50    51    52    56    53  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    56    53    54    55    58  
   50    51    53  
   51    52    56    57    60    53    54    55    58    59  
   52    56    57    60    61    53    54    55    58  
   56    57    60    53  
   54    55    58    59    56  
   55    58    59  
   58    59  
   57    60    61    62    63    77  
   60    61  
   59  
    0  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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
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   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    51   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.510
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    56   250.000  1.527
   56    57   340.000  1.090
   56    39   320.000  1.380
   56    60   320.000  1.380
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   320.000  1.410
   58    59   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
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    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    56    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    45    70.00000  112.02700
   38    40    51    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    70.00000  112.02700
   40    51    50    70.00000  112.02700
   40    51    52    37.50000  110.70000
   40    51    56    75.00000  109.43000
   45    40    41    37.50000  110.70000
   45    48    49    35.00000  117.00000
   45    48    50    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    70.00000  124.00000
   48    50    53    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    58    90.00000  110.39200
   51    40    41    37.50000  110.70000
   51    40    45    58.35000  112.70000
   51    56    57    45.00000  112.01100
   51    56    39    90.00000  108.56700
   51    56    60    90.00000  108.56700
   56    51    52    45.00000  108.72000
   56    60    61    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    56    57    35.00000  109.50000
   60    56    57    35.00000  109.50000
   60    56    39    92.60000  111.55000
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   53    50    51    65.00000  117.92700
   53    58    59    55.00000  108.50000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   42    38    40    70.00000  124.00000
   44    42    43    65.00000  121.00000
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   0.13850  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    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    56   0.14700  1.0 1.0
   29    33    39    56  -1.16150 -1.0 2.0
   29    33    39    56   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    45   0.46850  1.0 1.0
   33    38    40    45   0.08550 -1.0 2.0
   33    38    40    45   0.09800  1.0 3.0
   33    38    40    51   0.46850  1.0 1.0
   33    38    40    51   0.08550 -1.0 2.0
   33    38    40    51   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    56   0.37050  1.0 3.0
   38    33    39    56  -0.77900  1.0 1.0
   38    33    39    56  -0.36900 -1.0 2.0
   38    33    39    56   0.40400  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    48   0.31000  1.0 1.0
   38    40    45    48   0.14700 -1.0 2.0
   38    40    45    48   0.07550  1.0 3.0
   38    40    51    50   0.31000  1.0 1.0
   38    40    51    50   0.14700 -1.0 2.0
   38    40    51    50   0.07550  1.0 3.0
   38    40    51    52   0.15000  1.0 3.0
   38    40   -51    56   0.34400  1.0 1.0
   38    40   -51    56   0.09450 -1.0 2.0
   38    40   -51    56   0.11100  1.0 3.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    44   7.00000 -1.0 2.0
   40    45    48    49   0.00000  1.0 1.0
   40    45   -48    50   0.09850  1.0 1.0
   40    45   -48    50   0.15250 -1.0 2.0
   40    45   -48    50  -0.50650  1.0 3.0
   40    51    56    57   0.15000  1.0 3.0
   40    51    56    39   0.62750  1.0 1.0
   40    51    56    39  -0.30950 -1.0 2.0
   40    51    56    39   0.27300  1.0 3.0
   40    51    56    60   0.62750  1.0 1.0
   40    51    56    60  -0.30950 -1.0 2.0
   40    51    56    60   0.27300  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    51    50   0.15000  1.0 3.0
   41    40    51    52   0.15000  1.0 3.0
   41    40    51    56   0.15000  1.0 3.0
   45    40   -51    50   0.34400  1.0 1.0
   45    40   -51    50   0.09450 -1.0 2.0
   45    40   -51    50   0.11100  1.0 3.0
   45    40    51    52   0.15000  1.0 3.0
   45    40    51    56   3.97050  1.0 1.0
   45    48   -50    51   7.00000 -1.0 2.0
   45    48    50    53   7.00000 -1.0 2.0
   46    45    48    49   0.33100  1.0 3.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.33100  1.0 3.0
   47    45    48    50   0.00000  1.0 1.0
   48    50   -51    40   0.09850  1.0 1.0
   48    50   -51    40   0.15250 -1.0 2.0
   48    50   -51    40  -0.50650  1.0 3.0
   48    50    51    52   0.00000  1.0 1.0
   48    50    51    56   0.09850  1.0 1.0
   48    50    51    56   0.15250 -1.0 2.0
   48    50    51    56  -0.50650  1.0 3.0
   48    50    53    54   0.00000  1.0 1.0
   48    50    53    55   0.00000  1.0 1.0
   48    50    53    58   0.67800  1.0 1.0
   48    50    53    58   0.47050 -1.0 2.0
   48    50    53    58  -0.62500  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    53   7.00000 -1.0 2.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    39   0.61850  1.0 1.0
   50    51    56    39  -0.22750 -1.0 2.0
   50    51    56    39   0.15300  1.0 3.0
   50    51    56    60   0.61850  1.0 1.0
   50    51    56    60  -0.22750 -1.0 2.0
   50    51    56    60   0.15300  1.0 3.0
   50    53    58    59  -0.07800  1.0 1.0
   50    53    58    59  -0.21500 -1.0 2.0
   50    53    58    59  -0.03150  1.0 3.0
   51    40    45    46   0.15000  1.0 3.0
   51    40    45    47   0.15000  1.0 3.0
   51    40   -45    48   0.34400  1.0 1.0
   51    40   -45    48   0.09450 -1.0 2.0
   51    40   -45    48   0.11100  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    58   0.18000  1.0 1.0
   51    50    53    58   0.16450 -1.0 2.0
   51    50    53    58   0.04450  1.0 3.0
   51    56   -39    33   0.06250  1.0 1.0
   51    56   -39    33  -0.01100 -1.0 2.0
   51    56   -39    33   0.28050  1.0 3.0
   51    56    60    61   0.06250  1.0 1.0
   51    56    60    61  -0.01100 -1.0 2.0
   51    56    60    61   0.28050  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    39   0.23400  1.0 3.0
   52    51    56    60   0.23400  1.0 3.0
   56    60    61    62   0.37050  1.0 3.0
   56    60    61    63   0.06250  1.0 1.0
   56    60    61    63  -0.01100 -1.0 2.0
   56    60    61    63   0.28050  1.0 3.0
   56    60    61    77  -0.12700  1.0 1.0
   56    60    61    77  -1.16200 -1.0 2.0
   56    60    61    77   0.58800  1.0 3.0
   57    56    39    33   0.37050  1.0 3.0
   57    56    60    61   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    56    60    61  -0.53350  1.0 1.0
   39    56    60    61  -0.78350 -1.0 2.0
   39    56    60    61   0.33750  1.0 3.0
   60    56    39    33  -0.81800  1.0 1.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   53    50    51    40   0.46850  1.0 1.0
   53    50    51    40   0.08550 -1.0 2.0
   53    50    51    40   0.09800  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    56   0.46850  1.0 1.0
   53    50    51    56   0.08550 -1.0 2.0
   53    50    51    56   0.09800  1.0 3.0
   54    53    58    59   0.19450  1.0 3.0
   55    53    58    59   0.19450  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45   0.09850  1.0 1.0
   42    38    40    45   0.15250 -1.0 2.0
   42    38    40    45  -0.50650  1.0 3.0
   42    38    40    51   0.09850  1.0 1.0
   42    38    40    51   0.15250 -1.0 2.0
   42    38    40    51  -0.50650  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    40    38    42   1.10000 -1.0 2.0
   45    49    48    50   1.10000 -1.0 2.0
   51    53    50    48   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
