* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    152    247     453
    1     0 S   NP   _N1_     1    28.91726    94.78737   -26.04698
    2     1 S   H    _HN1     2     1.02947    79.80244     7.09434
    3     1 S   H    _H1_     3     1.02828    27.53547  -165.33892
    4     1 S   H    _H2_     4     1.02795   121.32759   -98.29063
    5     1 S   CT   _CA1     5     1.50125   118.73036   114.89616
    6     5 S   HC   _HA1     6     1.09574   105.16463    88.40754
    7     5 S   CO3  _C1_     7     1.53769   112.43403   -31.80926
    8     7 S   O2Z  _O11     8     1.26378   115.00590   -43.26177
    9     7 S   O2Z  _O12     9     1.26233   114.93911   135.72466
   10     5 S   CT   _CB1    10     1.53054   107.39965  -153.63284
   11    10 S   HC   HB11    11     1.09842   109.33882   -49.35827
   12    10 S   HC   HB12    12     1.09810   110.48030    67.23669
   13    10 S   CT   _CG1    13     1.53019   112.63322  -170.28331
   14    13 S   HC   HG11    14     1.09570   110.73493   -67.15147
   15    13 S   HC   HG12    15     1.09669   109.70298    52.10371
   16    13 S   C    _CD1    16     1.51810   111.96220   172.59323
   17    16 S   O    _OE1    17     1.22761   123.15876    12.39223
   18    16 S   N    _N2_    18     1.38631   111.84616  -167.63003
   19    18 S   H    _HN2    19     1.01571   119.05981     0.89700
   20    18 S   CT1  _CA2    20     1.46243   123.39552   176.85552
   21    20 S   HC   _HA2    21     1.09744   109.23573     8.18652
   22    20 S   C    _C2_    22     1.53715   109.03005  -107.33097
   23    22 S   O    _O2_    23     1.23096   122.22471  -150.05237
   24    20 S   CT   _CB2    32     1.53449   111.63203   130.14288
   25    24 S   HC   HB21    33     1.09513   109.63662    57.17547
   26    24 S   HC   HB22    34     1.09283   109.53860   175.89344
   27    22 S   N    _N3_    24     1.38308   113.93732    37.48511
   28    27 S   H    _HN3    25     1.01534   119.61257    -3.25077
   29    24 S   S    _SG2    35     1.83194   111.06661   -64.24437
   30    27 S   CT   _CA3    26     1.45272   123.28375   177.19858
   31    30 S   HC   HA31    27     1.09547   107.51684   -64.78007
   32    30 S   HC   HA32    28     1.09556   107.99370    51.67579
   33    29 S   CT   _C23    36     1.87941   102.03344   177.36946
   34    33 S   OM   _O39    37     1.31992   107.90110   -61.64536
   35    30 S   CO3  _C3_    29     1.52974   114.04821   173.68537
   36    35 S   O2Z  _O31    30     1.26384   116.09351    -0.06853
   37    35 S   O2Z  _O32    31     1.26427   114.41117   179.97202
   38    33 S   CT   _C6_    38     1.56013   107.16337   178.87135
   39    38 S   HC   _H3_    39     1.10068   108.05433   -58.66032
   40    33 S   CT   _C22    68     1.57369   111.21526    58.69219
   41    40 S   HC   _H5_    69     1.10008   109.88300   -70.78660
   42    38 S   CO4  _C7_    40     1.53466   111.05179  -172.65768
   43    42 S   O    _O34    41     1.23169   121.37836  -122.18526
   44    40 S   OS   _O40    70     1.44560   107.78248    46.91817
   45    38 S   CO4  _C5_    77     1.54193   115.88607    58.48511
   46    45 S   O    _O33    78     1.23117   123.32115    60.75235
   47    42 S   CT   _C8_    42     1.54774   115.62483    58.43925
   48    44 S   CT   _C24    71     1.42089   113.95170  -150.51964
   49    48 S   HC   _H16    72     1.09343   108.06576   178.67707
   50    48 S   HC   _H17    73     1.09371   110.65048    60.28234
   51    48 S   HC   _H18    74     1.09245   111.51495   -62.49638
   52    45 S   CT   _C4_    79     1.50911   116.34836  -121.95638
   53    52 S   HC   _H6_    80     1.09242   109.93923    58.32020
   54    52 S   HC   _H7_    81     1.09277   109.45387   -62.88351
   55    52 S   HC   _H8_    82     1.09360   109.67117   177.63338
   56    47 S   CMA  _C21    43     1.56413   112.05652   178.27127
   57    56 S   OM   _O35    44     1.26902   110.37972   -76.91835
   58    47 S   OH   _O41    75     1.43752   106.08332    58.79525
   59    58 S   HO   _H19    76     0.97444   106.12710    83.15940
   60    56 S   CM   _C20    45     1.36408   119.17388   105.25862
   61    60 S   CM   _C11    46     1.46063   123.12133    -1.13832
   62    60 S   CO4  _C19    57     1.51714   119.63821   178.31972
   63    62 S   O    _O36    58     1.22619   123.77861    16.33231
   64    61 S   CM   _C12    47     1.34185   121.87292   168.47024
   65    64 S   HC   _H11    48     1.08612   120.62593  -179.78694
   66    61 S   CT   _C10    63     1.50317   117.74245   -11.50312
   67    66 S   HC   _H9_    64     1.09717   110.84899   163.19535
   68    66 S   HC   _H10    65     1.09496   107.37552   -80.16046
   69    64 S   CA   _C13    49     1.46131   121.72506     0.51776
   70    47 S   CT   _C9_    66     1.54816   108.20866   -55.80144
   71    70 S   HC   _H4_    67     1.09954   106.40654   166.72349
   72    69 S   CA   _C14    50     1.40310   119.26564  -175.23770
   73    72 S   HA   _H12    51     1.08753   120.22982     0.81325
   74    72 S   CA   _C15    52     1.39329   119.97166  -179.16678
   75    74 S   CA   _C16    53     1.38936   120.75102     0.18871
   76    75 S   HA   _H13    54     1.08668   120.24397   179.98022
   77    74 S   OH   _O38    61     1.36628   121.07911  -179.88809
   78    77 S   HO   _H15    62     0.97236   108.71124     0.09691
   79    75 S   CA   _C17    55     1.39495   119.46874     0.03426
   80    69 S   CA   _C18    56     1.40317   120.92743     5.83472
   81    79 S   OH   _O37    59     1.36948   115.85995  -179.88131
   82    81 S   HO   _H14    60     0.97444   108.66669  -178.44141
  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
  16   8   2   1   1  16   7  17   6  13   5   8   6   4  12   4
   2   1   1   3   2   1   1  12   5   5   1  12  12   9   3  11
   4   5   3   2   8   1   1   8   4   7   7   4   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    70    40    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    66    70    71    40    41    44    48    45    46    52  
   38    39    42    70    40    41    44    45  
   36    37  
   37  
    0  
   39    42    43    47    56    70    40    41    44    58    45    46    52    53    54    55  
   42    43    47    40    45    46    52  
   41    44    48    49    50    51    58    45    42    47    56    61    66    67    68    70    71  
   44    48    47    66    70    71  
   43    47    56    57    60    66    70    71    58    59    45    46    52  
   47    56    70    58    45  
   48    49    50    51    47    66    70    71  
   46    52    53    54    55    47  
   52    53    54    55  
   56    57    60    61    62    66    67    68    70    71    58    59  
   49    50    51    70  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    60    61    64    80    62    63    66    70    71    58    59  
   60    61    62    70    58  
   59    60    66    70    71  
   70  
   61    64    65    69    79    80    62    63    66    67    68    70  
   64    65    69    72    80    62    63    66    67    68    70    71  
   63    81    66    64    69    72    75    79    80  
   69    79    80  
   65    69    72    73    74    79    80    66    67    68    70  
   69    72    80    66  
   67    68    70    71    69  
   68    70    71  
   70    71  
   72    73    74    75    79    80    81    77  
   71  
    0  
   73    74    75    76    79    80    77    78  
   74    75    80    77  
   75    76    79    80    81    77    78  
   76    79    80    81    82    77    78  
   79    80    81    77  
   78    79  
    0  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    56   270.000  1.512
   47    70   268.000  1.529
   47    58   320.000  1.410
   56    57   745.000  1.250
   56    60   465.000  1.376
   60    61   380.000  1.444
   60    62   320.000  1.462
   61    64   549.000  1.340
   61    66   317.000  1.510
   64    65   340.000  1.080
   64    69   320.000  1.460
   69    72   469.000  1.400
   69    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    62   310.000  1.470
   62    63   570.000  1.229
   81    82   553.000  0.945
   77    78   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   58    59   553.000  0.945
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    45    63.00000  111.10000
   33    40    70    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.00000
   38    45    46    80.00000  120.40000
   38    45    52    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    47    56    70.00000  109.06800
   42    47    70    63.00000  111.10000
   42    47    58    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    56    57    85.00000  112.85300
   47    56    60    65.00000  122.18000
   47    70    66    58.35000  112.70000
   47    70    71    37.50000  110.70000
   47    70    40    58.35000  112.70000
   47    58    59    55.00000  108.50000
   56    60    61    70.00000  117.34000
   56    60    62    60.00000  125.92000
   60    56    57    65.00000  137.10300
   60    61    64    70.00000  123.01800
   60    61    66    70.00000  124.00000
   60    62    80    65.00000  117.02400
   60    62    63    80.00000  123.72100
   61    64    65    35.00000  120.00000
   61    64    69    60.00000  123.20500
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    70    70.00000  112.02700
   64    69    72    60.00000  120.93500
   64    69    80    60.00000  120.93500
   69    64    65    40.00000  117.26300
   69    72    73    35.00000  120.00000
   69    72    74    63.00000  120.00000
   69    80    79    63.00000  120.00000
   69    80    62    60.00000  119.52600
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    63.00000  120.00000
   75    79    81    70.00000  120.00000
   79    75    76    35.00000  120.00000
   79    80    62    60.00000  119.52600
   79    81    82    35.00000  113.00000
   80    69    72    63.00000  120.00000
   80    62    63    75.00000  123.78400
   62    60    61    65.00000  118.96000
   81    79    80    70.00000  120.00000
   77    74    75    70.00000  120.00000
   66    61    64    70.00000  124.00000
   66    70    71    37.50000  110.70000
   66    70    40    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    47    56    70.00000  112.02700
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    40    41    37.50000  110.70000
   70    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    70    71    37.50000  110.70000
   40    44    48    60.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   58    47    56    90.00000  110.39200
   58    47    70    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    75.00000  107.99600
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   52    45    46    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   0.60050  1.0 1.0
   33    38    42    47   0.05600 -1.0 2.0
   33    38    42    47   0.26150  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    52   0.60050  1.0 1.0
   33    38    45    52   0.05600 -1.0 2.0
   33    38    45    52   0.26150  1.0 3.0
   33    40    44    48   0.06250  1.0 1.0
   33    40    44    48  -0.01100 -1.0 2.0
   33    40    44    48   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    45  -0.09450  1.0 1.0
   34    33    38    45  -1.12950 -1.0 2.0
   34    33    38    45   0.54000  1.0 3.0
   34    33    40    70   0.62750  1.0 1.0
   34    33    40    70  -0.30950 -1.0 2.0
   34    33    40    70   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.11900  1.0 1.0
   34    33    40    44  -1.16350 -1.0 2.0
   34    33    40    44  -0.34150  1.0 3.0
   38    33    40    70   0.56750  1.0 1.0
   38    33    40    70  -0.07550 -1.0 2.0
   38    33    40    70   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.62750  1.0 1.0
   38    33    40    44  -0.30950 -1.0 2.0
   38    33    40    44   0.27300  1.0 3.0
   38    42    47    56   0.65300  1.0 1.0
   38    42    47    56  -0.03850 -1.0 2.0
   38    42    47    56   0.33900  1.0 3.0
   38    42   -47    70   0.60050  1.0 1.0
   38    42   -47    70   0.05600 -1.0 2.0
   38    42   -47    70   0.26150  1.0 3.0
   38    42    47    58   0.55300  1.0 1.0
   38    42    47    58   1.25850 -1.0 2.0
   38    42    47    58  -0.23600  1.0 3.0
   38    45    52    53   0.00000  1.0 1.0
   38    45    52    54   0.00000  1.0 1.0
   38    45    52    55   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    52   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    52   0.65300  1.0 1.0
   42    38    45    52  -0.03850 -1.0 2.0
   42    38    45    52   0.33900  1.0 3.0
   42    47    56    57   0.09700  1.0 1.0
   42    47    56    57   0.15600 -1.0 2.0
   42    47    56    57  -0.50800  1.0 3.0
   42    47    56    60  -0.51250  1.0 1.0
   42    47    56    60  -0.88800 -1.0 2.0
   42    47    56    60   0.08850  1.0 3.0
   42    47    70    66  -0.95700  1.0 1.0
   42    47    70    66  -0.18200 -1.0 2.0
   42    47    70    66   0.29450  1.0 3.0
   42    47    70    71  -0.11250  1.0 3.0
   42    47    70    40  -0.95700  1.0 1.0
   42    47    70    40  -0.18200 -1.0 2.0
   42    47    70    40   0.29450  1.0 3.0
   42    47    58    59   0.91850  1.0 1.0
   42    47    58    59   0.57950  1.0 3.0
   43    42    47    56   0.30150 -1.0 2.0
   43    42    47    70   0.30150 -1.0 2.0
   43    42    47    58   0.30150 -1.0 2.0
   47    56    60    61   7.00000 -1.0 2.0
   47    56    60    62   7.00000 -1.0 2.0
   47    70   -40    33   0.56750  1.0 1.0
   47    70   -40    33  -0.07550 -1.0 2.0
   47    70   -40    33   0.20000  1.0 3.0
   47    70    40    41   0.15000  1.0 3.0
   47    70    40    44   0.62750  1.0 1.0
   47    70    40    44  -0.30950 -1.0 2.0
   47    70    40    44   0.27300  1.0 3.0
   56    47    70    66   0.34400  1.0 1.0
   56    47    70    66   0.09450 -1.0 2.0
   56    47    70    66   0.11100  1.0 3.0
   56    47    70    71   0.15000  1.0 3.0
   56    47    70    40   0.34400  1.0 1.0
   56    47    70    40   0.09450 -1.0 2.0
   56    47    70    40   0.11100  1.0 3.0
   56    47    58    59  -0.07800  1.0 1.0
   56    47    58    59  -0.21500 -1.0 2.0
   56    47    58    59  -0.03150  1.0 3.0
   56    60    61    64   0.28850  1.0 1.0
   56    60    61    64   2.61350 -1.0 2.0
   56    60    61    64   0.78400  1.0 3.0
   56    60   -61    66  -0.18600  1.0 3.0
   56    60    62    80  -1.65800  1.0 1.0
   56    60    62    80   0.77650 -1.0 2.0
   56    60    62    63   1.00000 -1.0 2.0
   57    56    60    61   7.00000 -1.0 2.0
   57    56    60    62   7.00000 -1.0 2.0
   60    61    64    65   7.00000 -1.0 2.0
   60    61    64    69   7.00000 -1.0 2.0
   60    61    66    67   0.00000  1.0 1.0
   60    61    66    68   0.00000  1.0 1.0
   60    61    66    70   0.98200  1.0 1.0
   60    61    66    70  -0.11900 -1.0 2.0
   60    61    66    70   0.24250  1.0 3.0
   61    60    62    80  -1.65800  1.0 1.0
   61    60    62    80   0.77650 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    64    69    72   0.15800  1.0 1.0
   61    64    69    72   1.85350 -1.0 2.0
   61    64    69    72  -0.48700  1.0 3.0
   61    64   -69    80   0.15800  1.0 1.0
   61    64   -69    80   1.85350 -1.0 2.0
   61    64   -69    80  -0.48700  1.0 3.0
   61    66   -70    47   0.34400  1.0 1.0
   61    66   -70    47   0.09450 -1.0 2.0
   61    66   -70    47   0.11100  1.0 3.0
   61    66    70    71   0.15000  1.0 3.0
   61    66    70    40   0.34400  1.0 1.0
   61    66    70    40   0.09450 -1.0 2.0
   61    66    70    40   0.11100  1.0 3.0
   64    61    66    67   0.00000  1.0 1.0
   64    61    66    68   0.00000  1.0 1.0
   64    61    66    70   0.09850  1.0 1.0
   64    61    66    70   0.15250 -1.0 2.0
   64    61    66    70  -0.50650  1.0 3.0
   64    69    72    73   3.62500 -1.0 2.0
   64    69    72    74   3.62500 -1.0 2.0
   64    69    80    79   3.62500 -1.0 2.0
   64    69    80    62   3.62500 -1.0 2.0
   65    64    69    72   0.56550  1.0 3.0
   65    64    69    80   0.56550  1.0 3.0
   69    72    74    75   3.62500 -1.0 2.0
   69    72    74    77   3.62500 -1.0 2.0
   69    80   -62    60  -0.11500  1.0 1.0
   69    80   -62    60   1.10450 -1.0 2.0
   69    80   -62    60  -0.48050  1.0 3.0
   69    80    62    63   1.05000 -1.0 2.0
   72    69    80    79   3.62500 -1.0 2.0
   72    69    80    62   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74   -75    79   3.62500 -1.0 2.0
   72    74    77    78   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75    79    81   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79   -80    69   3.62500 -1.0 2.0
   75    79    80    62   3.62500 -1.0 2.0
   75    79    81    82   0.84100 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   79    80    62    60  -0.11500  1.0 1.0
   79    80    62    60   1.10450 -1.0 2.0
   79    80    62    60  -0.48050  1.0 3.0
   79    80    62    63   1.05000 -1.0 2.0
   80    69    72    73   3.62500 -1.0 2.0
   80    69   -72    74   3.62500 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   62    60   -61    64  -0.18600  1.0 3.0
   62    60    61    66   1.08500 -1.0 2.0
   81    79    80    69   3.62500 -1.0 2.0
   81    79    80    62   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   66    61    64    65   7.00000 -1.0 2.0
   66    61    64    69   7.00000 -1.0 2.0
   66    70    40    33   0.56750  1.0 1.0
   66    70    40    33  -0.07550 -1.0 2.0
   66    70    40    33   0.20000  1.0 3.0
   66    70    40    41   0.15000  1.0 3.0
   66    70    40    44   0.62750  1.0 1.0
   66    70    40    44  -0.30950 -1.0 2.0
   66    70    40    44   0.27300  1.0 3.0
   67    66    70    47   0.15000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    40   0.15000  1.0 3.0
   68    66    70    47   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    40   0.15000  1.0 3.0
   70    47    56    57   0.09700  1.0 1.0
   70    47    56    57   0.15600 -1.0 2.0
   70    47    56    57  -0.50800  1.0 3.0
   70    47   -56    60   0.09850  1.0 1.0
   70    47   -56    60   0.15250 -1.0 2.0
   70    47   -56    60  -0.50650  1.0 3.0
   70    47    58    59  -0.11600  1.0 1.0
   70    47    58    59  -0.09450 -1.0 2.0
   70    47    58    59   0.21250  1.0 3.0
   70    40    44    48   0.06250  1.0 1.0
   70    40    44    48  -0.01100 -1.0 2.0
   70    40    44    48   0.28050  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    41   0.15000  1.0 3.0
   71    70    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    50   0.37050  1.0 3.0
   40    44    48    51   0.37050  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   58    47    56    57   0.09700  1.0 1.0
   58    47    56    57   0.15600 -1.0 2.0
   58    47    56    57  -0.50800  1.0 3.0
   58    47    56    60   0.67800  1.0 1.0
   58    47    56    60   0.47050 -1.0 2.0
   58    47    56    60  -0.62500  1.0 3.0
   58    47    70    66   0.86500  1.0 1.0
   58    47    70    66  -0.17500 -1.0 2.0
   58    47    70    66   0.20800  1.0 3.0
   58    47    70    71   0.23400  1.0 3.0
   58    47    70    40   0.86500  1.0 1.0
   58    47    70    40  -0.17500 -1.0 2.0
   58    47    70    40   0.20800  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    47   0.65300  1.0 1.0
   45    38    42    47  -0.03850 -1.0 2.0
   45    38    42    47   0.33900  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    55   0.00000  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
   38    47    42    43  10.50000 -1.0 2.0
   47    57    56    60   1.10000 -1.0 2.0
   61    62    60    56   1.10000 -1.0 2.0
   60    66    61    64   1.10000 -1.0 2.0
   69    65    64    61   1.10000 -1.0 2.0
   72    80    69    64   4.00000 -1.0 2.0
   74    73    72    69   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   80    81    79    75   4.00000 -1.0 2.0
   79    62    80    69   4.00000 -1.0 2.0
   60    80    62    63  10.50000 -1.0 2.0
   38    52    45    46  10.50000 -1.0 2.0
END
