* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    151    224     442
    1     0 S   NP   _N1_     1    28.98501    98.82919   -18.20271
    2     1 S   H    _HN1     2     1.02786    90.08496  -120.74229
    3     1 S   H    _H1_     3     1.02944    62.22571   -10.07730
    4     1 S   H    _H2_     4     1.02844    56.89019   127.90561
    5     1 S   CT   _CA1     5     1.50117   157.64578    66.17372
    6     5 S   HC   _HA1     6     1.09598   105.18991   111.72699
    7     5 S   CO3  _C1_     7     1.53886   111.90687    -8.03307
    8     7 S   O2Z  _O11     8     1.26340   115.10221   -56.96734
    9     7 S   O2Z  _O12     9     1.26281   114.91371   121.77910
   10     5 S   CT   _CB1    10     1.53172   107.31542  -130.88701
   11    10 S   HC   HB11    11     1.09820   109.45628   -52.35332
   12    10 S   HC   HB12    12     1.09800   110.53770    64.30245
   13    10 S   CT   _CG1    13     1.52886   112.31367  -173.34748
   14    13 S   HC   HG11    14     1.09338   109.95979   -64.65518
   15    13 S   HC   HG12    15     1.09645   109.96733    54.42599
   16    13 S   C    _CD1    16     1.51772   112.62720   175.63991
   17    16 S   O    _OE1    17     1.22750   123.23676     7.79631
   18    16 S   N    _N2_    18     1.38616   111.78104  -172.75088
   19    18 S   H    _HN2    19     1.01536   118.86828     5.38540
   20    18 S   CT1  _CA2    20     1.45750   122.80063   177.53772
   21    20 S   HC   _HA2    21     1.09715   108.85472    26.92174
   22    20 S   C    _C2_    22     1.52952   106.79319   -90.16427
   23    22 S   O    _O2_    23     1.22981   123.00773   -28.39635
   24    20 S   CT   _CB2    32     1.53181   112.59341   150.38941
   25    24 S   HC   HB21    33     1.09491   110.53999    56.23661
   26    24 S   HC   HB22    34     1.09568   110.10191   173.64300
   27    22 S   N    _N3_    24     1.38476   112.56894   154.51604
   28    27 S   H    _HN3    25     1.01650   120.38977    -2.39947
   29    24 S   S    _SG2    35     1.82852   111.87935   -67.82576
   30    27 S   CT   _CA3    26     1.45361   122.49689   178.53874
   31    30 S   HC   HA31    27     1.09566   107.84365   -55.25704
   32    30 S   HC   HA32    28     1.09561   107.58716    61.08977
   33    29 S   CT   _C12    36     1.84030   100.29147   124.60835
   34    33 S   HC   _H3_    37     1.09740   106.94257    44.36154
   35    30 S   CO3  _C3_    29     1.52896   114.29466  -177.16227
   36    35 S   O2Z  _O31    30     1.26340   116.04374     0.57267
   37    35 S   O2Z  _O32    31     1.26433   114.41844  -179.48111
   38    33 S   CA   _C7_    38     1.52124   111.35986   -75.20443
   39    33 S   CT   _C13    58     1.53830   108.66064   159.48723
   40    39 S   HC   _H18    59     1.09727   112.46639    58.67697
   41    39 S   HC   _H19    60     1.09730   111.31480   -60.37722
   42    38 S   CA   _C6_    39     1.40677   119.36725   112.66662
   43    42 S   HA   _H12    40     1.08636   118.26783    -0.55143
   44    39 S   CO4  _C14    61     1.51109   110.23337  -179.16070
   45    44 S   O    _O36    62     1.22355   123.96846    71.31864
   46    42 S   CA   _C5_    41     1.39699   120.97543   179.29696
   47    44 S   OS1  _O37    63     1.36210   109.58285  -105.19987
   48    46 S   CA   _C10    42     1.39888   118.65908    -0.68842
   49    46 S   OS   _O33    53     1.37037   125.16058   179.36851
   50    47 S   CO1  _C15    64     1.44169   116.40608   166.58639
   51    50 S   HC   _H4_    65     1.09820   108.86066    49.49426
   52    48 S   CA   _C9_    43     1.40012   121.59859    -0.25793
   53    48 S   OH   _O34    51     1.37339   118.56525   178.88548
   54    53 S   HO   _H14    52     0.97652   107.64481  -167.15075
   55    49 S   CT   _C4_    54     1.42215   117.13311    -4.28903
   56    55 S   HC   _H9_    55     1.09424   107.74211  -177.82967
   57    55 S   HC   _H10    56     1.09471   111.13500    64.47695
   58    55 S   HC   _H11    57     1.09514   111.18623   -60.04427
   59    50 S   CT   _C16    66     1.53203   107.03690   169.11613
   60    59 S   HC   _H5_    67     1.09705   109.95109    50.98231
   61    38 S   CA   _C8_    44     1.40594   121.55579   -68.71581
   62    61 S   HA   _H13    45     1.08579   118.58218     1.07847
   63    52 S   OS   _O35    46     1.36956   115.66916  -178.71869
   64    59 S   CT   _C17    68     1.53013   111.26564   172.88914
   65    64 S   HC   _H6_    69     1.09662   110.30728    73.50266
   66    59 S   OH5  _O42    84     1.42924   109.82822   -65.60003
   67    66 S   HO   _H25    85     0.97240   108.24192   -63.56632
   68    63 S   CT   _C11    47     1.42211   117.16594  -175.78295
   69    68 S   HC   _H15    48     1.09420   107.74909   177.89652
   70    68 S   HC   _H16    49     1.09510   111.17425    60.10496
   71    68 S   HC   _H17    50     1.09495   111.04806   -64.41649
   72    64 S   CT   _C18    70     1.53157   111.26032   -49.19754
   73    72 S   HC   _H7_    71     1.09713   109.05941   -71.15529
   74    64 S   OH5  _O41    82     1.42941   109.56820  -170.59143
   75    74 S   HO   _H24    83     0.97255   108.12938    61.61978
   76    72 S   CT   _C19    72     1.53239   110.70314    50.09745
   77    76 S   HC   _H8_    73     1.09818   111.00655    64.43027
   78    72 S   OH5  _O40    80     1.42604   109.64800   172.00296
   79    78 S   HO   _H23    81     0.97252   108.21507   -58.32530
   80    50 S   OS1  _O38    74     1.42808   109.60899   -71.50505
   81    76 S   CT   _C20    75     1.53009   111.34420  -174.68463
   82    81 S   HC   _H20    76     1.09483   110.98181    68.95304
   83    81 S   HC   _H21    77     1.09395   111.54954   -53.32020
   84    81 S   OH5  _O39    78     1.42478   109.13811  -172.29006
   85    84 S   HO   _H22    79     0.97241   106.87669  -176.77129
  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
  14   7   2   1   1  13   8   4   3   9   4   6   2  11   8   9
   6  13   6   9   3   1   3   2   1   1  12   7   3   1   4  13
   7   4   1   3   2   1   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    42    61    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    61    62    39    40    41    44    45    47  
   38    42    61    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    48    52    61    62    63    49    39    40    41    44  
   40    41    44    45    47    50    42    61  
   41    44    45    47  
   44    45    47  
   43    46    48    52    61    62    53    49    55  
   46    48    61    49  
   45    47    50    51    59    80  
   47    50  
   48    52    61    63    53    54    49    55    56    57    58  
   50    51    59    60    64    76    80    66  
   52    61    62    63    68    53    54    49    55  
   55    56    57    58    52    53  
   51    59    60    64    65    72    76    77    80    81    74    66    67  
   59    60    64    76    80    66  
   61    62    63    68    69    70    71    53    54  
   54    61    63  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    64    65    72    73    76    80    78    74    75    66    67  
   64    65    72    80    74    66    67  
   62    63    68  
   63  
   68    69    70    71  
   65    72    73    76    77    80    81    78    79    74    75    66    67  
   72    73    76    78    74    75    66  
   67    72    74    80  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   2.9000   0.1400  -0.280000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   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   268.000  1.529
   38    42   469.000  1.400
   38    61   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    48   469.000  1.400
   46    49   450.000  1.364
   48    52   469.000  1.400
   48    53   450.000  1.364
   52    61   469.000  1.400
   52    63   450.000  1.364
   61    62   367.000  1.080
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   553.000  0.945
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    47   214.000  1.327
   47    50   370.000  1.399
   50    51   360.000  1.097
   50    59   255.000  1.525
   50    80   370.000  1.399
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    66   355.000  1.421
   64    65   340.000  1.090
   64    72   268.000  1.529
   64    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   66    67   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    61    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    61    52    63.00000  120.00000
   38    61    62    35.00000  120.00000
   42    46    48    63.00000  120.00000
   42    46    49    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    48    52    63.00000  120.00000
   46    48    53    70.00000  120.00000
   46    49    55    75.00000  111.00000
   48    52    61    63.00000  120.00000
   48    52    63    70.00000  120.00000
   48    53    54    35.00000  113.00000
   52    61    62    35.00000  120.00000
   52    63    68    75.00000  111.00000
   61    38    42    63.00000  120.00000
   63    52    61    70.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    48    52    70.00000  120.00000
   49    46    48    70.00000  120.00000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    47    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    50    83.00000  116.90000
   47    44    45    83.00000  123.40000
   47    50    51    60.00000  105.75400
   47    50    59    90.00000  109.70700
   47    50    80   110.00000  113.16000
   50    59    60    45.00000  109.54000
   50    59    64    70.00000  111.10000
   50    59    66    90.00000  109.42000
   50    80    76    90.00000  112.10700
   59    50    51    45.00000  111.65000
   59    64    65    37.50000  110.70000
   59    64    72    58.35000  112.70000
   59    64    74    90.00000  111.45300
   59    66    67    65.00000  108.53500
   64    59    60    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    76    58.35000  112.70000
   64    72    78    90.00000  111.45300
   64    74    75    65.00000  108.53500
   72    64    65    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    50    51    60.00000  105.75400
   80    50    59    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    64    65    60.00000  109.39000
   74    64    72    90.00000  111.45300
   66    59    60    60.00000  109.39000
   66    59    64    90.00000  111.45300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    61    52   3.62500 -1.0 2.0
   33    38    61    62   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    47   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    61   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    48   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    61    52   3.62500 -1.0 2.0
   42    38    61    62   3.62500 -1.0 2.0
   42    46   -48    52   3.62500 -1.0 2.0
   42    46    48    53   3.62500 -1.0 2.0
   42    46    49    55   1.63200 -1.0 2.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    48    52    61   3.62500 -1.0 2.0
   46    48    52    63   3.62500 -1.0 2.0
   46    48    53    54   0.84100 -1.0 2.0
   46    49    55    56   0.08050  1.0 3.0
   46    49    55    57   0.08050  1.0 3.0
   46    49    55    58   0.08050  1.0 3.0
   48    46    49    55   1.63200 -1.0 2.0
   48    52   -61    38   3.62500 -1.0 2.0
   48    52    61    62   3.62500 -1.0 2.0
   48    52    63    68   1.63200 -1.0 2.0
   52    48    53    54   0.84100 -1.0 2.0
   52    63    68    69   0.08050  1.0 3.0
   52    63    68    70   0.08050  1.0 3.0
   52    63    68    71   0.08050  1.0 3.0
   61    38    42    43   3.62500 -1.0 2.0
   61    38   -42    46   3.62500 -1.0 2.0
   61    52    63    68   1.63200 -1.0 2.0
   63    52    61    38   3.62500 -1.0 2.0
   63    52    61    62   3.62500 -1.0 2.0
   53    48    52    61   3.62500 -1.0 2.0
   53    48    52    63   3.62500 -1.0 2.0
   49    46    48    52   3.62500 -1.0 2.0
   49    46    48    53   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    61   0.04150 -1.0 2.0
   39    44    47    50   1.63150  1.0 1.0
   39    44    47    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    47   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    47   0.00000  1.0 1.0
   44    47    50    51   0.08050  1.0 3.0
   44    47    50    59  -0.25900  1.0 1.0
   44    47    50    59  -0.47000 -1.0 2.0
   44    47    50    59   0.11750  1.0 3.0
   44    47    50    80  -0.24150  1.0 1.0
   44    47    50    80  -0.46200 -1.0 2.0
   44    47    50    80   0.11700  1.0 3.0
   45    44    47    50   3.00000 -1.0 2.0
   47    50    59    60   0.23400  1.0 3.0
   47    50    59    64   0.62750  1.0 1.0
   47    50    59    64  -0.30950 -1.0 2.0
   47    50    59    64   0.27300  1.0 3.0
   47    50    59    66   1.51850  1.0 1.0
   47    50    80    76  -0.70400  1.0 1.0
   47    50    80    76  -0.90350 -1.0 2.0
   50    59    64    65   0.15000  1.0 3.0
   50    59    64    72   0.56750  1.0 1.0
   50    59    64    72  -0.07550 -1.0 2.0
   50    59    64    72   0.20000  1.0 3.0
   50    59    64    74  -0.47750  1.0 1.0
   50    59    66    67   0.29150  1.0 1.0
   50    59    66    67  -0.28350 -1.0 2.0
   50    59    66    67   0.43600  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    64   0.15000  1.0 3.0
   51    50    59    66   0.23400  1.0 3.0
   51    50    80    76   0.37050  1.0 3.0
   59    50    80    76   0.06250  1.0 1.0
   59    50    80    76  -0.01100 -1.0 2.0
   59    50    80    76   0.28050  1.0 3.0
   59    64    72    73   0.15000  1.0 3.0
   59    64   -72    76   0.56750  1.0 1.0
   59    64   -72    76  -0.07550 -1.0 2.0
   59    64   -72    76   0.20000  1.0 3.0
   59    64    72    78  -0.47750  1.0 1.0
   59    64    74    75   0.29150  1.0 1.0
   59    64    74    75  -0.28350 -1.0 2.0
   59    64    74    75   0.43600  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    72   0.15000  1.0 3.0
   60    59    64    74   0.23400  1.0 3.0
   60    59    66    67   0.19450  1.0 3.0
   64    59    66    67   0.29150  1.0 1.0
   64    59    66    67  -0.28350 -1.0 2.0
   64    59    66    67   0.43600  1.0 3.0
   64    72    76    77   0.15000  1.0 3.0
   64    72    76    80   0.62750  1.0 1.0
   64    72    76    80  -0.30950 -1.0 2.0
   64    72    76    80   0.27300  1.0 3.0
   64    72    76    81   0.56750  1.0 1.0
   64    72    76    81  -0.07550 -1.0 2.0
   64    72    76    81   0.20000  1.0 3.0
   64    72    78    79   0.29150  1.0 1.0
   64    72    78    79  -0.28350 -1.0 2.0
   64    72    78    79   0.43600  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    76   0.15000  1.0 3.0
   65    64    72    78   0.23400  1.0 3.0
   65    64    74    75   0.19450  1.0 3.0
   72    64    74    75   0.29150  1.0 1.0
   72    64    74    75  -0.28350 -1.0 2.0
   72    64    74    75   0.43600  1.0 3.0
   72    76   -80    50   0.06250  1.0 1.0
   72    76   -80    50  -0.01100 -1.0 2.0
   72    76   -80    50   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    50   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    50    59    60   0.23400  1.0 3.0
   80    50   -59    64   0.62750  1.0 1.0
   80    50   -59    64  -0.30950 -1.0 2.0
   80    50   -59    64   0.27300  1.0 3.0
   80    50    59    66   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    50   0.06250  1.0 1.0
   81    76    80    50  -0.01100 -1.0 2.0
   81    76    80    50   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    64    72    73   0.23400  1.0 3.0
   74    64    72    76  -0.47750  1.0 1.0
   74    64    72    78   3.77950  1.0 1.0
   66    59    64    65   0.23400  1.0 3.0
   66    59    64    72  -0.47750  1.0 1.0
   66    59    64    74   3.77950  1.0 1.0
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
   42    61    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    49    46    42   4.00000 -1.0 2.0
   52    53    48    46   4.00000 -1.0 2.0
   61    63    52    48   4.00000 -1.0 2.0
   52    62    61    38   1.10000 -1.0 2.0
   39    47    44    45  10.50000 -1.0 2.0
END
