* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    244     454
    1     0 S   NP   _N1_     1    28.67287    94.80438   -21.07051
    2     1 S   H    _HN1     2     1.02782    90.25440   -83.79792
    3     1 S   H    _H1_     3     1.02959    88.20924    24.55872
    4     1 S   H    _H2_     4     1.02838    32.05866   151.29653
    5     1 S   CT   _CA1     5     1.50184   142.72074   146.93071
    6     5 S   HC   _HA1     6     1.09562   105.16630    61.72032
    7     5 S   CO3  _C1_     7     1.53807   112.68920   -58.32960
    8     7 S   O2Z  _O11     8     1.26414   115.09070   -32.47619
    9     7 S   O2Z  _O12     9     1.26228   115.13994   146.67979
   10     5 S   CT   _CB1    10     1.53109   107.40456   179.86012
   11    10 S   HC   HB11    11     1.09820   109.48931   -47.31932
   12    10 S   HC   HB12    12     1.09836   110.23107    69.30109
   13    10 S   CT   _CG1    13     1.53013   112.79855  -168.38385
   14    13 S   HC   HG11    14     1.09544   110.33327   -63.37371
   15    13 S   HC   HG12    15     1.09632   110.10912    55.97128
   16    13 S   C    _CD1    16     1.51772   112.37482   176.52644
   17    16 S   O    _OE1    17     1.22713   123.24720    -3.22082
   18    16 S   N    _N2_    18     1.38652   111.60173   176.42324
   19    18 S   H    _HN2    19     1.01578   119.06353     2.55037
   20    18 S   CT1  _CA2    20     1.46334   123.35865  -175.90404
   21    20 S   HC   _HA2    21     1.09726   109.34791   -14.18000
   22    20 S   C    _C2_    22     1.53344   108.51534  -130.13312
   23    22 S   O    _O2_    23     1.23010   122.20512  -146.51814
   24    20 S   CT   _CB2    32     1.53531   111.10800   107.74280
   25    24 S   HC   HB21    33     1.09546   109.29452    57.01507
   26    24 S   HC   HB22    34     1.09493   110.91660   175.76109
   27    22 S   N    _N3_    24     1.38493   113.35334    40.83232
   28    27 S   H    _HN3    25     1.01532   118.89991    -0.60296
   29    24 S   S    _SG2    35     1.82637   111.33157   -64.29434
   30    27 S   CT   _CA3    26     1.45452   123.50983   175.15819
   31    30 S   HC   HA31    27     1.09517   109.32001    22.71133
   32    30 S   HC   HA32    28     1.09497   107.10202   139.73095
   33    29 S   CT   _C22    36     1.82485    99.78093   155.55711
   34    33 S   HC   _H3_    37     1.09148   110.74512   -27.43932
   35    33 S   HC   _H4_    38     1.09600   106.68350    87.88466
   36    30 S   CO3  _C3_    29     1.52918   113.05469  -100.82196
   37    36 S   O2Z  _O31    30     1.26406   115.38186   -44.84705
   38    36 S   O2Z  _O32    31     1.26350   114.99548   136.07262
   39    33 S   CT   _C16    39     1.54397   111.62253  -151.38942
   40    39 S   HC   _H40    40     1.09955   106.77211   -54.38313
   41    39 S   CO4  _C6_    41     1.51845   107.22310  -165.44467
   42    41 S   O    _O21    42     1.23041   120.87084    69.45268
   43    41 S   OS   _O24    43     1.34841   118.41907  -105.02430
   44    43 S   CT   _C14    44     1.43736   122.47999   -28.89943
   45    44 S   HC   _H37    45     1.09473   106.86114   -80.17840
   46    44 S   HC   _H38    46     1.09730   106.57840   167.08097
   47    44 S   CT   _C20    47     1.53788   113.69635    44.88459
   48    47 S   CT   _C13    48     1.56296   108.21342  -174.72942
   49    48 S   HC   _H35    49     1.09878   110.07811   -51.00251
   50    48 S   HC   _H36    50     1.09931   110.09697  -165.64265
   51    39 S   CT   _C17    61     1.55357   114.90092    65.17373
   52    51 S   HC   _H41    62     1.09707   108.68236   -32.63236
   53    47 S   CM   _C10    78     1.52929   108.25050    68.37535
   54    53 S   HC   _H34    79     1.08898   117.53410    -1.94451
   55    48 S   CT   _C19    51     1.54159   115.36800    73.02976
   56    55 S   HC   _H43    52     1.09673   111.55675   -68.67636
   57    53 S   CM   _C8_    80     1.34042   125.67466   178.01673
   58    57 S   HC   _H30    81     1.08487   120.39641   180.00000
   59    57 S   HC   _H31    82     1.08394   121.89153     0.25641
   60    55 S   CT   _C15    53     1.52093   107.81523    52.62066
   61    60 S   HC   _H39    54     1.10004   109.22172    59.75084
   62    55 S   OS   _O26    66     1.44265   108.29355   170.09063
   63    60 S   CM   _C4_    55     1.48656   122.67753  -175.38701
   64    62 S   CO4  _C12    67     1.35979   117.15996    87.56403
   65    64 S   O    _O22    68     1.22301   125.77683    -0.59610
   66    63 S   CO4  _C5_    56     1.48751   106.13513   153.07609
   67    66 S   O    _O20    57     1.21685   127.27396   164.51529
   68    63 S   CM   _C7_    63     1.33395   131.33092   -24.91003
   69    68 S   HC   _H28    64     1.08399   121.35258    -1.32781
   70    68 S   HC   _H29    65     1.08518   121.44728   178.94205
   71    64 S   CM   _C11    69     1.48951   109.86479   179.33324
   72    66 S   OS   _O23    58     1.37301   106.54704   -14.06243
   73    71 S   CM   _C9_    70     1.34222   117.08804  -175.27793
   74    73 S   HC   _H32    71     1.08561   120.92668  -179.05809
   75    73 S   HC   _H33    72     1.08529   122.55004     1.23162
   76    71 S   CT   _C21    73     1.49853   120.66223     6.86559
   77    76 S   HC   _H44    74     1.09516   111.55731   171.22076
   78    76 S   HC   _H45    75     1.09505   110.95296    52.05736
   79    60 S   CT   _C18    59     1.51479   109.80358   -61.67570
   80    79 S   HC   _H42    60     1.09993   111.92695   -56.22178
   81    76 S   OH   _O25    76     1.42142   109.91029   -69.79115
   82    81 S   HO   _H48    77     0.97639   107.03849   112.32529
  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
  11   5   4   2   1   1  14   7   9   3   7  13   5   4  17  15
   7   6  12   5   6   3  13   6   2   1   1  12   7   7   8   9
   3   7   3   4   1   1   8   2   6   2   1   4   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    79    51    52  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    60    72    79    80    51    52    53  
   41    42    43    47    79    51    52  
   42    43    44    45    46    47    79    51    52  
   43    44    51  
   44    45    46    47    48    51    53  
   45    46    47    48    49    50    55    79    51    52    53    54    57  
   46    47    48    51    53  
   47    48    51    53  
   48    49    50    55    56    60    72    79    80    51    52    62    53    54    57    58    59  
   49    50    55    56    60    61    63    79    51    52    62    64    53    54    57  
   50    55    56    60    51    62    53  
   55    56    60    51    62    53  
   52    53    54    57    55    60    61    63    66    72    79    80  
   53    60    72    79    80  
   54    57    58    59    55    79  
   57    58    59  
   56    60    61    63    66    72    79    80    68    62    64    65    71  
   60    61    63    79    62    64  
   58    59  
   59  
    0  
   61    63    66    67    72    79    80    68    69    70    62    64  
   63    66    72    79    80    68    62  
   64    65    71    73    76    63    79  
   66    67    72    79    80    68    69    70  
   65    71    73    74    75    76    77    78    81  
   71    73    76  
   67    72    79    80    68    69    70  
   72    79    68  
   69    70    72    79  
   70  
    0  
   73    74    75    76    77    78    81    82  
   79    80  
   74    75    76    77    78    81  
   75    76  
   76  
   77    78    81    82  
   78    81    82  
   81    82  
   80  
    0  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    51   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    51   268.000  1.529
   47    53   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    79   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    79   320.000  1.410
   79    80   340.000  1.090
   79    51   268.000  1.529
   51    52   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   320.000  1.462
   71    73   549.000  1.340
   71    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   320.000  1.410
   81    82   553.000  0.945
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    59   340.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    51    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    51    47    58.35000  112.70000
   39    51    79    58.35000  112.70000
   39    51    52    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    51    58.35000  112.70000
   44    47    53    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    55    58.35000  112.70000
   47    51    79    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    53    54    35.00000  117.00000
   47    53    57    70.00000  124.00000
   48    55    56    37.50000  110.70000
   48    55    60    58.35000  112.70000
   48    55    62    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    63    70.00000  112.02700
   55    60    79    58.35000  112.70000
   55    62    64    83.00000  116.90000
   60    55    56    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    79    72    50.00000  109.50000
   60    79    80    37.50000  110.70000
   60    79    51    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    72    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    72    79    83.00000  116.90000
   72    66    67    83.00000  123.40000
   72    79    80    35.00000  109.50000
   72    79    51    50.00000  109.50000
   79    60    61    37.50000  110.70000
   79    60    63    70.00000  112.02700
   79    51    52    37.50000  110.70000
   51    39    40    37.50000  110.70000
   51    39    41    63.00000  111.10000
   51    47    48    58.35000  112.70000
   51    79    80    37.50000  110.70000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    55    56    35.00000  109.50000
   62    55    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    90.00000  111.29400
   64    71    73    65.00000  118.96000
   64    71    76    65.00000  116.34900
   71    64    65    80.00000  123.72100
   71    73    74    35.00000  120.00000
   71    73    75    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    81    90.00000  110.39200
   75    73    74    35.00000  117.00000
   76    71    73    70.00000  124.00000
   76    81    82    55.00000  108.50000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   53    47    48    70.00000  112.02700
   53    47    51    70.00000  112.02700
   53    57    58    35.00000  120.00000
   53    57    59    35.00000  120.00000
   57    53    54    35.00000  120.00000
   59    57    58    35.00000  117.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    51   0.44750  1.0 1.0
   29    33    39    51  -0.17800 -1.0 2.0
   29    33    39    51   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    51    47   0.56750  1.0 1.0
   33    39    51    47  -0.07550 -1.0 2.0
   33    39    51    47   0.20000  1.0 3.0
   33    39    51    79   0.56750  1.0 1.0
   33    39    51    79  -0.07550 -1.0 2.0
   33    39    51    79   0.20000  1.0 3.0
   33    39    51    52   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    51   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    51   0.15000  1.0 3.0
   39    41    43    44   1.63150  1.0 1.0
   39    41    43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    51    47   0.15000  1.0 3.0
   40    39    51    79   0.15000  1.0 3.0
   40    39    51    52   0.15000  1.0 3.0
   41    39    51    47  -0.95700  1.0 1.0
   41    39    51    47  -0.18200 -1.0 2.0
   41    39    51    47   0.29450  1.0 3.0
   41    39    51    79  -0.95700  1.0 1.0
   41    39    51    79  -0.18200 -1.0 2.0
   41    39    51    79   0.29450  1.0 3.0
   41    39    51    52  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43   -44    47  -0.25900  1.0 1.0
   41    43   -44    47  -0.47000 -1.0 2.0
   41    43   -44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    47    48   0.62750  1.0 1.0
   43    44    47    48  -0.30950 -1.0 2.0
   43    44    47    48   0.27300  1.0 3.0
   43    44    47    51   0.62750  1.0 1.0
   43    44    47    51  -0.30950 -1.0 2.0
   43    44    47    51   0.27300  1.0 3.0
   43    44    47    53   0.61850  1.0 1.0
   43    44    47    53  -0.22750 -1.0 2.0
   43    44    47    53   0.15300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    55   0.56750  1.0 1.0
   44    47    48    55  -0.07550 -1.0 2.0
   44    47    48    55   0.20000  1.0 3.0
   44    47   -51    39   0.56750  1.0 1.0
   44    47   -51    39  -0.07550 -1.0 2.0
   44    47   -51    39   0.20000  1.0 3.0
   44    47    51    79   0.56750  1.0 1.0
   44    47    51    79  -0.07550 -1.0 2.0
   44    47    51    79   0.20000  1.0 3.0
   44    47    51    52   0.15000  1.0 3.0
   44    47    53    54   0.00000  1.0 1.0
   44    47    53    57   0.09850  1.0 1.0
   44    47    53    57   0.15250 -1.0 2.0
   44    47    53    57  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   45    44    47    53   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   46    44    47    53   0.15000  1.0 3.0
   47    48    55    56   0.15000  1.0 3.0
   47    48    55    60   0.56750  1.0 1.0
   47    48    55    60  -0.07550 -1.0 2.0
   47    48    55    60   0.20000  1.0 3.0
   47    48    55    62   0.62750  1.0 1.0
   47    48    55    62  -0.30950 -1.0 2.0
   47    48    55    62   0.27300  1.0 3.0
   47    53    57    58   7.00000 -1.0 2.0
   47    53    57    59   7.00000 -1.0 2.0
   48    47    51    39   0.56750  1.0 1.0
   48    47    51    39  -0.07550 -1.0 2.0
   48    47    51    39   0.20000  1.0 3.0
   48    47    51    79   0.56750  1.0 1.0
   48    47    51    79  -0.07550 -1.0 2.0
   48    47    51    79   0.20000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    57   0.09850  1.0 1.0
   48    47    53    57   0.15250 -1.0 2.0
   48    47    53    57  -0.50650  1.0 3.0
   48    55    60    61   0.15000  1.0 3.0
   48    55    60    63   0.34400  1.0 1.0
   48    55    60    63   0.09450 -1.0 2.0
   48    55    60    63   0.11100  1.0 3.0
   48    55   -60    79   0.56750  1.0 1.0
   48    55   -60    79  -0.07550 -1.0 2.0
   48    55   -60    79   0.20000  1.0 3.0
   48    55    62    64  -0.25900  1.0 1.0
   48    55    62    64  -0.47000 -1.0 2.0
   48    55    62    64   0.11750  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    60   0.15000  1.0 3.0
   49    48    55    62   0.23400  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    60   0.15000  1.0 3.0
   50    48    55    62   0.23400  1.0 3.0
   55    60    63    66   0.09700  1.0 1.0
   55    60    63    66   0.15600 -1.0 2.0
   55    60    63    66  -0.50800  1.0 3.0
   55    60    63    68   0.09850  1.0 1.0
   55    60    63    68   0.15250 -1.0 2.0
   55    60    63    68  -0.50650  1.0 3.0
   55    60    79    72   0.62750  1.0 1.0
   55    60    79    72  -0.30950 -1.0 2.0
   55    60    79    72   0.27300  1.0 3.0
   55    60    79    80   0.15000  1.0 3.0
   55    60    79    51   0.56750  1.0 1.0
   55    60    79    51  -0.07550 -1.0 2.0
   55    60    79    51   0.20000  1.0 3.0
   55    62    64    65   3.00000 -1.0 2.0
   55    62    64    71   2.00000 -1.0 2.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    60    79   0.15000  1.0 3.0
   56    55    62    64   0.08050  1.0 3.0
   60    55    62    64  -0.25900  1.0 1.0
   60    55    62    64  -0.47000 -1.0 2.0
   60    55    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    72  -0.15000  1.0 1.0
   60    63   -66    72   0.89550 -1.0 2.0
   60    63   -66    72  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    79    51    39   0.56750  1.0 1.0
   60    79    51    39  -0.07550 -1.0 2.0
   60    79    51    39   0.20000  1.0 3.0
   60    79   -51    47   0.56750  1.0 1.0
   60    79   -51    47  -0.07550 -1.0 2.0
   60    79   -51    47   0.20000  1.0 3.0
   60    79    51    52   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    79    72   0.23400  1.0 3.0
   61    60    79    80   0.15000  1.0 3.0
   61    60    79    51   0.15000  1.0 3.0
   63    60   -79    72   0.61850  1.0 1.0
   63    60   -79    72  -0.22750 -1.0 2.0
   63    60   -79    72   0.15300  1.0 3.0
   63    60    79    80   0.15000  1.0 3.0
   63    60    79    51   0.34400  1.0 1.0
   63    60    79    51   0.09450 -1.0 2.0
   63    60    79    51   0.11100  1.0 3.0
   63    66   -72    79   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    72   -79    60  -0.25900  1.0 1.0
   66    72   -79    60  -0.47000 -1.0 2.0
   66    72   -79    60   0.11750  1.0 3.0
   66    72    79    80   0.08050  1.0 3.0
   66    72    79    51  -0.25900  1.0 1.0
   66    72    79    51  -0.47000 -1.0 2.0
   66    72    79    51   0.11750  1.0 3.0
   67    66    72    79   3.00000 -1.0 2.0
   72    79    51    39   0.62750  1.0 1.0
   72    79    51    39  -0.30950 -1.0 2.0
   72    79    51    39   0.27300  1.0 3.0
   72    79    51    47   0.62750  1.0 1.0
   72    79    51    47  -0.30950 -1.0 2.0
   72    79    51    47   0.27300  1.0 3.0
   72    79    51    52   0.23400  1.0 3.0
   79    60   -63    66   0.09700  1.0 1.0
   79    60   -63    66   0.15600 -1.0 2.0
   79    60   -63    66  -0.50800  1.0 3.0
   79    60    63    68   0.09850  1.0 1.0
   79    60    63    68   0.15250 -1.0 2.0
   79    60    63    68  -0.50650  1.0 3.0
   80    79    51    39   0.15000  1.0 3.0
   80    79    51    47   0.15000  1.0 3.0
   80    79    51    52   0.15000  1.0 3.0
   51    39    41    42   0.30150 -1.0 2.0
   51    39   -41    43   0.36750  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47   -48    55   0.56750  1.0 1.0
   51    47   -48    55  -0.07550 -1.0 2.0
   51    47   -48    55   0.20000  1.0 3.0
   51    47    53    54   0.00000  1.0 1.0
   51    47    53    57   0.09850  1.0 1.0
   51    47    53    57   0.15250 -1.0 2.0
   51    47    53    57  -0.50650  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    72  -0.56150  1.0 1.0
   68    63    66    72   2.19150 -1.0 2.0
   62    55    60    61   0.23400  1.0 3.0
   62    55    60    63   0.61850  1.0 1.0
   62    55    60    63  -0.22750 -1.0 2.0
   62    55    60    63   0.15300  1.0 3.0
   62    55    60    79   0.62750  1.0 1.0
   62    55    60    79  -0.30950 -1.0 2.0
   62    55    60    79   0.27300  1.0 3.0
   62    64    71    73  -0.56150  1.0 1.0
   62    64    71    73   2.19150 -1.0 2.0
   62    64    71    76  -0.15000  1.0 1.0
   62    64    71    76   0.89550 -1.0 2.0
   62    64    71    76  -0.06900  1.0 3.0
   64    71    73    74   7.00000 -1.0 2.0
   64    71    73    75   7.00000 -1.0 2.0
   64    71    76    77   0.15000  1.0 3.0
   64    71    76    78   0.15000  1.0 3.0
   64    71    76    81   0.09700  1.0 1.0
   64    71    76    81   0.15600 -1.0 2.0
   64    71    76    81  -0.50800  1.0 3.0
   65    64    71    73   1.00000 -1.0 2.0
   65    64    71    76  -0.64400  1.0 1.0
   65    64    71    76   0.26850 -1.0 2.0
   71    76    81    82  -0.07800  1.0 1.0
   71    76    81    82  -0.21500 -1.0 2.0
   71    76    81    82  -0.03150  1.0 3.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   73    71    76    81   0.67800  1.0 1.0
   73    71    76    81   0.47050 -1.0 2.0
   73    71    76    81  -0.62500  1.0 3.0
   76    71    73    74   7.00000 -1.0 2.0
   76    71    73    75   7.00000 -1.0 2.0
   77    76    81    82   0.19450  1.0 3.0
   78    76    81    82   0.19450  1.0 3.0
   53    47    48    49   0.15000  1.0 3.0
   53    47    48    50   0.15000  1.0 3.0
   53    47    48    55   0.34400  1.0 1.0
   53    47    48    55   0.09450 -1.0 2.0
   53    47    48    55   0.11100  1.0 3.0
   53    47    51    39   0.34400  1.0 1.0
   53    47    51    39   0.09450 -1.0 2.0
   53    47    51    39   0.11100  1.0 3.0
   53    47    51    79   0.34400  1.0 1.0
   53    47    51    79   0.09450 -1.0 2.0
   53    47    51    79   0.11100  1.0 3.0
   53    47    51    52   0.15000  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    59   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    72    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
   64    76    71    73  15.00000 -1.0 2.0
   74    75    73    71  15.00000 -1.0 2.0
   47    54    53    57  15.00000 -1.0 2.0
   58    59    57    53  15.00000 -1.0 2.0
END
