* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    251     467
    1     0 S   NP   _N1_     1    29.12745    94.54325   -19.03216
    2     1 S   H    _HN1     2     1.02952   100.82534    41.45570
    3     1 S   H    _H1_     3     1.02850    35.79183   145.77721
    4     1 S   H    _H2_     4     1.02794    76.87152   -64.93679
    5     1 S   CT   _CA1     5     1.50063   141.39297  -174.09236
    6     5 S   HC   _HA1     6     1.09582   105.27094    35.57444
    7     5 S   CO3  _C1_     7     1.53713   112.28041   -84.61043
    8     7 S   O2Z  _O11     8     1.26399   115.25141   -50.42219
    9     7 S   O2Z  _O12     9     1.26195   114.91051   129.15733
   10     5 S   CT   _CB1    10     1.53103   107.45892   153.28026
   11    10 S   HC   HB11    11     1.09817   109.28375   -52.09766
   12    10 S   HC   HB12    12     1.09835   110.42701    64.37104
   13    10 S   CT   _CG1    13     1.53077   112.74185  -173.34681
   14    13 S   HC   HG11    14     1.09563   110.17604   -60.83425
   15    13 S   HC   HG12    15     1.09608   110.29360    58.35382
   16    13 S   C    _CD1    16     1.51822   111.94862   178.45896
   17    16 S   O    _OE1    17     1.22745   123.00032   -16.13710
   18    16 S   N    _N2_    18     1.38582   111.92263   164.54961
   19    18 S   H    _HN2    19     1.01549   119.17854     2.92074
   20    18 S   CT1  _CA2    20     1.46325   123.40164  -176.57612
   21    20 S   HC   _HA2    21     1.09745   109.17868   -21.23103
   22    20 S   C    _C2_    22     1.53440   108.46944  -136.86737
   23    22 S   O    _O2_    23     1.23011   122.30891  -147.20328
   24    20 S   CT   _CB2    32     1.53607   111.32715   100.96408
   25    24 S   HC   HB21    33     1.09439   109.58791    52.22089
   26    24 S   HC   HB22    34     1.09368   110.30911   170.77382
   27    22 S   N    _N3_    24     1.38533   113.29532    40.34683
   28    27 S   H    _HN3    25     1.01535   118.92928    -0.27625
   29    24 S   S    _SG2    35     1.82863   111.53072   -70.01076
   30    27 S   CT   _CA3    26     1.45451   123.40137   175.03529
   31    30 S   HC   HA31    27     1.09526   109.19087    25.09686
   32    30 S   HC   HA32    28     1.09493   107.12487   142.11575
   33    29 S   CT   _C18    36     1.86231   101.03849   156.41405
   34    30 S   CO3  _C3_    29     1.52936   113.18009   -98.33557
   35    34 S   O2Z  _O31    30     1.26398   115.44421   -42.77007
   36    34 S   O2Z  _O32    31     1.26359   114.94669   138.17349
   37    33 S   CO4  _C17    37     1.52793   108.68136  -177.50213
   38    37 S   O    _O35    38     1.22397   126.38113    15.11820
   39    33 S   OS1  _O36    65     1.43761   111.66986   -54.27712
   40    37 S   CO4  _C16    39     1.50451   116.02925  -167.40551
   41    40 S   O    _O42    40     1.22215   119.25925  -160.39635
   42    39 S   CO1  _C19    66     1.43404   117.84055   -67.00866
   43    42 S   HC   _H4_    67     1.09601   109.70928    47.35348
   44    40 S   CM   _C15    41     1.47339   118.30831    19.64155
   45    44 S   HC   _H15    42     1.08628   116.01763  -174.61606
   46    42 S   CT   _C20    68     1.53519   107.03302   166.32763
   47    46 S   HC   _H5_    69     1.09681   109.94534    52.88277
   48    44 S   CMA  _C14    43     1.34676   122.89513     6.39678
   49    48 S   OM   _O34    44     1.26317   128.77530  -179.76930
   50    46 S   CT   _C21    70     1.53179   111.38585   175.00213
   51    50 S   HC   _H6_    71     1.09517   110.06278    74.41522
   52    46 S   OH5  _O41    86     1.42991   109.83623   -63.76976
   53    52 S   HO   _H21    87     0.97141   107.86976   -66.92003
   54    33 S   CT   _C13    45     1.56064   110.88285    63.63948
   55    54 S   HC   _H3_    46     1.10183   106.13521   -70.53943
   56    50 S   CT   _C22    72     1.53206   111.66951   -48.43023
   57    56 S   HC   _H7_    73     1.09640   108.59337   -73.23413
   58    50 S   OH5  _O40    84     1.43009   109.41282  -170.03244
   59    58 S   HO   _H20    85     0.97230   108.05974    62.77747
   60    54 S   CO4  _C12    47     1.54194   112.91109    48.67202
   61    60 S   O    _O33    48     1.23019   122.36392    57.70642
   62    56 S   CT   _C23    74     1.53320   110.72216    48.34134
   63    62 S   HC   _H8_    75     1.09789   110.46419    64.78646
   64    56 S   OH5  _O39    82     1.42632   109.74162   170.12886
   65    64 S   HO   _H19    83     0.97612   108.06537   -59.75959
   66    60 S   CM   _C11    49     1.49392   116.37514  -122.17176
   67    66 S   HC   _H14    50     1.08398   117.18772    -9.26730
   68    42 S   OS1  _O37    76     1.42659   111.11417   -74.65031
   69    62 S   CT   _C24    77     1.53076   113.00098  -175.35675
   70    69 S   HC   _H16    78     1.09440   110.93628   -65.21251
   71    69 S   HC   _H17    79     1.09519   110.10967   173.99874
   72    66 S   CM   _C10    51     1.34007   120.33658   169.74842
   73    72 S   HC   _H13    52     1.08738   120.51282     1.97922
   74    69 S   OH5  _O38    80     1.42314   110.67593    55.12524
   75    74 S   HO   _H18    81     0.97224   106.99596   176.45205
   76    72 S   CA   _C9_    53     1.47136   123.88544  -178.76774
   77    76 S   CA   _C4_    54     1.40354   122.49322    34.63245
   78    77 S   HA   _H9_    55     1.08761   121.06502    -0.87893
   79    77 S   CA   _C5_    56     1.39690   120.59031   178.46979
   80    79 S   HA   _H10    57     1.08643   119.77651   179.84051
   81    79 S   CA   _C6_    58     1.39092   119.70222    -0.51662
   82    81 S   CA   _C7_    59     1.39178   120.67354    -0.26541
   83    82 S   HA   _H11    60     1.08600   121.01278  -179.64173
   84    81 S   OH   _O43    63     1.36597   118.23119   180.00000
   85    84 S   HO   _H22    64     0.97234   108.59269   179.77619
   86    76 S   CA   _C8_    61     1.40341   118.69926  -148.21017
   87    86 S   HA   _H12    62     1.08813   120.51768     1.79722
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  11   5  13   6   3  14   6   6   3  12   7   6
   3  13   7   4   1   6   3  12   7   3   1   6   3   9   6   3
   1   6   3   4   4   3   2   8   3   1   1   9   8   4   7   3
   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    54    55    60    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    48    49    54    55    60    61    66    39    42    43    46    68  
   35    36  
   36  
    0  
   38    40    41    44    45    48    54    55    60    39    42  
   40    41    44    54    39  
   42    43    46    47    50    62    68    52    40    48    54    55    60  
   41    44    45    48    49    54  
   44    45    48  
   43    46    47    50    51    56    62    63    68    69    58    52    53    54  
   46    47    50    62    68    52  
   45    48    49    54    55    60  
   48    49    54  
   47    50    51    56    57    62    68    64    58    59    52    53  
   50    51    56    68    58    52    53  
   49    54    55    60    61    66  
   54    55    60  
   51    56    57    62    63    68    69    64    65    58    59    52    53  
   56    57    62    64    58    59    52  
   53    56    58    68  
    0  
   55    60    61    66    67    72  
   60    61    66  
   57    62    63    68    69    70    71    74    64    65    58    59  
   62    63    68    69    64    65    58  
   59    62    64  
    0  
   61    66    67    72    73    76  
   66    67    72  
   63    68    69    70    71    74    75    64    65  
   68    69    70    71    74    64  
   65    68    69  
    0  
   67    72    73    76    77    86  
   72    73    76  
   69    70    71    74  
   70    71    74    75  
   71    74    75  
   74    75  
   73    76    77    78    79    82    86    87  
   76    77    86  
   75  
    0  
   77    78    79    80    81    82    83    86    87  
   78    79    80    81    82    86    87    84  
   79    80    81    86  
   80    81    82    83    86    84    85  
   81    82    84  
   82    83    86    87    84    85  
   83    86    87    84    85  
   86    87    84  
   85    86  
    0  
   87  
    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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    54   268.000  1.529
   33    39   335.000  1.422
   37    38   570.000  1.229
   37    40   250.000  1.523
   40    41   570.000  1.229
   40    44   320.000  1.462
   44    45   340.000  1.080
   44    48   465.000  1.376
   48    49   745.000  1.250
   48    54   270.000  1.512
   54    55   340.000  1.090
   54    60   317.000  1.522
   60    61   570.000  1.229
   60    66   320.000  1.462
   66    67   340.000  1.080
   66    72   549.000  1.340
   72    73   340.000  1.080
   72    76   320.000  1.460
   76    77   469.000  1.400
   76    86   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   367.000  1.080
   84    85   553.000  0.945
   39    42   370.000  1.399
   42    43   360.000  1.097
   42    46   255.000  1.525
   42    68   370.000  1.399
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   355.000  1.421
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   355.000  1.421
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    64   355.000  1.421
   62    63   340.000  1.090
   62    68   335.000  1.422
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   355.000  1.421
   74    75   580.000  0.967
   64    65   580.000  0.967
   58    59   580.000  0.967
   52    53   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    54    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.45000
   33    54    48    70.00000  112.02700
   33    54    55    37.50000  110.70000
   33    54    60    63.00000  111.10000
   33    39    42    90.00000  112.10700
   37    40    41    80.00000  119.30300
   37    40    44    65.00000  116.00000
   40    37    38    80.00000  119.30300
   40    44    45    40.00000  117.72500
   40    44    48    60.00000  125.92000
   44    40    41    80.00000  123.72100
   44    48    49    65.00000  137.10300
   44    48    54    65.00000  122.18000
   48    44    45    40.00000  120.50800
   48    54    55    45.00000  110.52000
   48    54    60    70.00000  109.06800
   54    33    37    63.00000  111.10000
   54    48    49    85.00000  112.85300
   54    60    61    80.00000  120.40000
   54    60    66    65.00000  118.62400
   60    54    55    35.00000  109.50000
   60    66    67    40.00000  117.72500
   60    66    72    65.00000  118.96000
   66    60    61    80.00000  123.72100
   66    72    73    35.00000  120.00000
   66    72    76    60.00000  123.20500
   72    66    67    35.00000  120.00000
   72    76    77    60.00000  120.93500
   72    76    86    60.00000  120.93500
   76    72    73    40.00000  117.26300
   76    77    78    35.00000  120.00000
   76    77    79    63.00000  120.00000
   76    86    82    63.00000  120.00000
   76    86    87    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    84    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    86    63.00000  120.00000
   81    84    85    35.00000  113.00000
   82    86    87    35.00000  120.00000
   86    76    77    63.00000  120.00000
   86    82    83    35.00000  120.00000
   84    81    82    70.00000  120.00000
   39    33    37    90.00000  108.74100
   39    33    54    95.00000  107.88500
   39    42    43    60.00000  105.75400
   39    42    46    90.00000  109.70700
   39    42    68   110.00000  113.16000
   42    46    47    45.00000  109.54000
   42    46    50    70.00000  111.10000
   42    46    52    90.00000  109.42000
   42    68    62    90.00000  112.10700
   46    42    43    45.00000  111.65000
   46    50    51    37.50000  110.70000
   46    50    56    58.35000  112.70000
   46    50    58    90.00000  111.45300
   46    52    53    65.00000  108.53500
   50    46    47    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    62    58.35000  112.70000
   50    56    64    90.00000  111.45300
   50    58    59    65.00000  108.53500
   56    50    51    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    68    95.00000  107.88500
   56    62    69    58.35000  112.70000
   56    64    65    65.00000  108.53500
   62    56    57    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    74    90.00000  111.45300
   68    42    43    60.00000  105.75400
   68    42    46    90.00000  109.70700
   68    62    63    55.00000  108.98800
   69    62    63    37.50000  110.70000
   69    62    68    95.00000  107.88500
   69    74    75    65.00000  108.53500
   71    69    70    33.00000  107.80000
   74    69    70    60.00000  109.39000
   74    69    71    60.00000  109.39000
   64    56    57    60.00000  109.39000
   64    56    62    90.00000  111.45300
   58    50    51    60.00000  109.39000
   58    50    56    90.00000  111.45300
   52    46    47    60.00000  109.39000
   52    46    50    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.56750  1.0 1.0
   29    33    54    60  -0.07550 -1.0 2.0
   29    33    54    60   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   0.49600 -1.0 2.0
   33    37    40    44   0.43900  1.0 1.0
   33    37    40    44  -0.18150 -1.0 2.0
   33    37    40    44  -0.03650  1.0 3.0
   33    54    60    61   0.30150 -1.0 2.0
   33    54    60    66   0.65300  1.0 1.0
   33    54    60    66  -0.03850 -1.0 2.0
   33    54    60    66   0.33900  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    46   0.06250  1.0 1.0
   33    39    42    46  -0.01100 -1.0 2.0
   33    39    42    46   0.28050  1.0 3.0
   33    39    42    68  -0.12700  1.0 1.0
   33    39    42    68  -1.16200 -1.0 2.0
   33    39    42    68   0.58800  1.0 3.0
   37    33    54    48  -0.98800  1.0 1.0
   37    33    54    48   0.48800 -1.0 2.0
   37    33    54    48   0.76800  1.0 3.0
   37    33    54    55  -0.11250  1.0 3.0
   37    33    54    60   0.11950  1.0 1.0
   37    33    54    60   0.20300 -1.0 2.0
   37    33    54    60  -0.70800  1.0 3.0
   37    33    39    42  -1.11000  1.0 1.0
   37    33    39    42   0.50250 -1.0 2.0
   37    33    39    42   0.47450  1.0 3.0
   37    40    44    45   0.92800 -1.0 2.0
   37    40   -44    48   0.50400  1.0 1.0
   37    40   -44    48   1.60000 -1.0 2.0
   37    40   -44    48  -0.01800  1.0 3.0
   38    37    40    41   0.06100 -1.0 2.0
   38    37    40    44   0.03000  1.0 1.0
   38    37    40    44   0.58800 -1.0 2.0
   38    37    40    44   0.15550  1.0 3.0
   40    44    48    49   7.00000 -1.0 2.0
   40    44    48    54   7.00000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   1.00000 -1.0 2.0
   44    48   -54    33   0.09850  1.0 1.0
   44    48   -54    33   0.15250 -1.0 2.0
   44    48   -54    33  -0.50650  1.0 3.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    60  -0.51250  1.0 1.0
   44    48    54    60  -0.88800 -1.0 2.0
   44    48    54    60   0.08850  1.0 3.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    54   7.00000 -1.0 2.0
   48    54    60    61   0.30150 -1.0 2.0
   48    54    60    66   0.65300  1.0 1.0
   48    54    60    66  -0.03850 -1.0 2.0
   48    54    60    66   0.33900  1.0 3.0
   49    48    54    33   0.09700  1.0 1.0
   49    48    54    33   0.15600 -1.0 2.0
   49    48    54    33  -0.50800  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    60   0.09700  1.0 1.0
   49    48    54    60   0.15600 -1.0 2.0
   49    48    54    60  -0.50800  1.0 3.0
   54    33    37    38   0.30150 -1.0 2.0
   54    33   -37    40   0.65300  1.0 1.0
   54    33   -37    40  -0.03850 -1.0 2.0
   54    33   -37    40   0.33900  1.0 3.0
   54    33    39    42   0.06250  1.0 1.0
   54    33    39    42  -0.01100 -1.0 2.0
   54    33    39    42   0.28050  1.0 3.0
   54    60    66    67   0.04550  1.0 1.0
   54    60    66    67   0.83000 -1.0 2.0
   54    60    66    67  -0.04000  1.0 3.0
   54    60    66    72  -0.33500  1.0 1.0
   54    60    66    72   1.06600 -1.0 2.0
   54    60    66    72  -0.14000  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    66   0.00000  1.0 1.0
   60    66    72    73   7.00000 -1.0 2.0
   60    66    72    76   7.00000 -1.0 2.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    72   1.00000 -1.0 2.0
   66    72    76    77   0.15800  1.0 1.0
   66    72    76    77   1.85350 -1.0 2.0
   66    72    76    77  -0.48700  1.0 3.0
   66    72    76    86   0.15800  1.0 1.0
   66    72    76    86   1.85350 -1.0 2.0
   66    72    76    86  -0.48700  1.0 3.0
   67    66    72    73   7.00000 -1.0 2.0
   67    66    72    76   7.00000 -1.0 2.0
   72    76    77    78   3.62500 -1.0 2.0
   72    76    77    79   3.62500 -1.0 2.0
   72    76    86    82   3.62500 -1.0 2.0
   72    76    86    87   3.62500 -1.0 2.0
   73    72    76    77   0.56550  1.0 3.0
   73    72    76    86   0.56550  1.0 3.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77    79    81   3.62500 -1.0 2.0
   77    76    86    82   3.62500 -1.0 2.0
   77    76    86    87   3.62500 -1.0 2.0
   77    79   -81    82   3.62500 -1.0 2.0
   77    79    81    84   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   3.62500 -1.0 2.0
   79    81    82    86   3.62500 -1.0 2.0
   79    81    84    85   0.84100 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    84   3.62500 -1.0 2.0
   81    82   -86    76   3.62500 -1.0 2.0
   81    82    86    87   3.62500 -1.0 2.0
   82    81    84    85   0.84100 -1.0 2.0
   83    82    86    76   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    76    77    78   3.62500 -1.0 2.0
   86    76   -77    79   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    86   3.62500 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    54    48   0.61850  1.0 1.0
   39    33    54    48  -0.22750 -1.0 2.0
   39    33    54    48   0.15300  1.0 3.0
   39    33    54    55   0.23400  1.0 3.0
   39    33    54    60  -0.09450  1.0 1.0
   39    33    54    60  -1.12950 -1.0 2.0
   39    33    54    60   0.54000  1.0 3.0
   39    42    46    47   0.23400  1.0 3.0
   39    42    46    50   0.62750  1.0 1.0
   39    42    46    50  -0.30950 -1.0 2.0
   39    42    46    50   0.27300  1.0 3.0
   39    42    46    52   1.51850  1.0 1.0
   39    42    68    62  -0.70400  1.0 1.0
   39    42    68    62  -0.90350 -1.0 2.0
   42    46    50    51   0.15000  1.0 3.0
   42    46    50    56   0.56750  1.0 1.0
   42    46    50    56  -0.07550 -1.0 2.0
   42    46    50    56   0.20000  1.0 3.0
   42    46    50    58  -0.47750  1.0 1.0
   42    46    52    53   0.29150  1.0 1.0
   42    46    52    53  -0.28350 -1.0 2.0
   42    46    52    53   0.43600  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    52   0.23400  1.0 3.0
   43    42    68    62   0.37050  1.0 3.0
   46    42    68    62   0.06250  1.0 1.0
   46    42    68    62  -0.01100 -1.0 2.0
   46    42    68    62   0.28050  1.0 3.0
   46    50    56    57   0.15000  1.0 3.0
   46    50   -56    62   0.56750  1.0 1.0
   46    50   -56    62  -0.07550 -1.0 2.0
   46    50   -56    62   0.20000  1.0 3.0
   46    50    56    64  -0.47750  1.0 1.0
   46    50    58    59   0.29150  1.0 1.0
   46    50    58    59  -0.28350 -1.0 2.0
   46    50    58    59   0.43600  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    56   0.15000  1.0 3.0
   47    46    50    58   0.23400  1.0 3.0
   47    46    52    53   0.19450  1.0 3.0
   50    46    52    53   0.29150  1.0 1.0
   50    46    52    53  -0.28350 -1.0 2.0
   50    46    52    53   0.43600  1.0 3.0
   50    56    62    63   0.15000  1.0 3.0
   50    56    62    68   0.62750  1.0 1.0
   50    56    62    68  -0.30950 -1.0 2.0
   50    56    62    68   0.27300  1.0 3.0
   50    56    62    69   0.56750  1.0 1.0
   50    56    62    69  -0.07550 -1.0 2.0
   50    56    62    69   0.20000  1.0 3.0
   50    56    64    65   0.29150  1.0 1.0
   50    56    64    65  -0.28350 -1.0 2.0
   50    56    64    65   0.43600  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    62   0.15000  1.0 3.0
   51    50    56    64   0.23400  1.0 3.0
   51    50    58    59   0.19450  1.0 3.0
   56    50    58    59   0.29150  1.0 1.0
   56    50    58    59  -0.28350 -1.0 2.0
   56    50    58    59   0.43600  1.0 3.0
   56    62   -68    42   0.06250  1.0 1.0
   56    62   -68    42  -0.01100 -1.0 2.0
   56    62   -68    42   0.28050  1.0 3.0
   56    62    69    70   0.15000  1.0 3.0
   56    62    69    71   0.15000  1.0 3.0
   56    62    69    74  -0.47750  1.0 1.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    68   0.23400  1.0 3.0
   57    56    62    69   0.15000  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   62    56    64    65   0.29150  1.0 1.0
   62    56    64    65  -0.28350 -1.0 2.0
   62    56    64    65   0.43600  1.0 3.0
   62    69    74    75   0.29150  1.0 1.0
   62    69    74    75  -0.28350 -1.0 2.0
   62    69    74    75   0.43600  1.0 3.0
   63    62    68    42   0.37050  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    74   0.23400  1.0 3.0
   68    42    46    47   0.23400  1.0 3.0
   68    42   -46    50   0.62750  1.0 1.0
   68    42   -46    50  -0.30950 -1.0 2.0
   68    42   -46    50   0.27300  1.0 3.0
   68    42    46    52   1.51850  1.0 1.0
   68    62    69    70   0.23400  1.0 3.0
   68    62    69    71   0.23400  1.0 3.0
   68    62    69    74   1.51850  1.0 1.0
   69    62    68    42   0.06250  1.0 1.0
   69    62    68    42  -0.01100 -1.0 2.0
   69    62    68    42   0.28050  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75   0.19450  1.0 3.0
   64    56    62    63   0.23400  1.0 3.0
   64    56    62    68   1.51850  1.0 1.0
   64    56    62    69  -0.47750  1.0 1.0
   58    50    56    57   0.23400  1.0 3.0
   58    50    56    62  -0.47750  1.0 1.0
   58    50    56    64   3.77950  1.0 1.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    56  -0.47750  1.0 1.0
   52    46    50    58   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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
   40    45    44    48   1.10000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   54    66    60    61  10.50000 -1.0 2.0
   60    67    66    72  15.00000 -1.0 2.0
   76    73    72    66  15.00000 -1.0 2.0
   77    86    76    72   4.00000 -1.0 2.0
   79    78    77    76   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   82    84    81    79   4.00000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   82    87    86    76   1.10000 -1.0 2.0
END
