* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    154    244     455
    1     0 S   NP   _N1_     1    28.54304    93.67372   -19.90443
    2     1 S   H    _HN1     2     1.02783    94.69695   -50.75916
    3     1 S   H    _H1_     3     1.02953    93.83086    58.00045
    4     1 S   H    _H2_     4     1.02830    23.56678  -176.43745
    5     1 S   CT   _CA1     5     1.50197   134.31413  -178.40149
    6     5 S   HC   _HA1     6     1.09602   105.02736    59.89726
    7     5 S   CO3  _C1_     7     1.53658   112.53629   -59.60291
    8     7 S   O2Z  _O11     8     1.26427   115.19309   -40.26871
    9     7 S   O2Z  _O12     9     1.26241   115.02293   139.01963
   10     5 S   CT   _CB1    10     1.53193   107.29411   177.24253
   11    10 S   HC   HB11    11     1.09781   108.60565   -52.99657
   12    10 S   HC   HB12    12     1.09813   110.55647    63.19653
   13    10 S   CT   _CG1    13     1.53065   113.01367  -174.63089
   14    13 S   HC   HG11    14     1.09543   110.03441   -72.35338
   15    13 S   HC   HG12    15     1.09673   110.16657    46.42471
   16    13 S   C    _CD1    16     1.52031   112.68615   165.73456
   17    16 S   O    _OE1    17     1.22749   123.10370   -17.79786
   18    16 S   N    _N2_    18     1.38606   111.89508   164.77073
   19    18 S   H    _HN2    19     1.01606   118.86468    -3.06650
   20    18 S   CT1  _CA2    20     1.46369   123.64347   174.89420
   21    20 S   HC   _HA2    21     1.09763   109.07330   -20.36946
   22    20 S   C    _C2_    22     1.53588   107.65084  -135.28303
   23    22 S   O    _O2_    23     1.22991   122.48434  -145.12670
   24    20 S   CT   _CB2    32     1.53435   112.09143   102.32936
   25    24 S   HC   HB21    33     1.09622   110.00771    47.93568
   26    24 S   HC   HB22    34     1.09519   110.57868   166.89558
   27    22 S   N    _N3_    24     1.38594   113.21316    42.31012
   28    27 S   H    _HN3    25     1.01532   118.91541    -0.48899
   29    24 S   S    _SG2    35     1.82250   112.01532   -73.80616
   30    27 S   CT   _CA3    26     1.45440   123.40530   174.97664
   31    30 S   HC   HA31    27     1.09526   109.16258    25.69394
   32    30 S   HC   HA32    28     1.09492   107.13357   142.71032
   33    29 S   CO4  _C20    36     1.76670   100.43343   173.80628
   34    33 S   O    _O43    37     1.22514   121.90698     7.94021
   35    30 S   CO3  _C3_    29     1.52939   113.20077   -97.71647
   36    35 S   O2Z  _O31    30     1.26399   115.47443   -42.46838
   37    35 S   O2Z  _O32    31     1.26363   114.93615   138.47228
   38    33 S   OS   _O42    38     1.36498   113.73855  -172.36100
   39    38 S   CT   _C19    39     1.43610   116.40148   178.68300
   40    39 S   HC   _H20    40     1.09616   110.63290   -44.20959
   41    39 S   HC   _H21    41     1.09549   108.52387    75.37987
   42    39 S   CM   _C5_    42     1.48705   108.26455  -163.91312
   43    42 S   CM   _C4_    43     1.35133   128.03138  -114.06305
   44    43 S   HC   _H12    44     1.08121   124.46293    -2.63663
   45    43 S   CT   _C8_    45     1.50967   112.52698  -176.75062
   46    45 S   HC   _H5_    46     1.09538   111.17443   129.09299
   47    45 S   CT   _C7_    47     1.49182    99.44111     9.91715
   48    47 S   HC   _H4_    48     1.09812   111.36773    98.16598
   49    47 S   CM   _C10    49     1.45442   105.93749  -137.35523
   50    49 S   CM   _C11    50     1.33716   118.11243   161.73246
   51    50 S   HC   _H13    51     1.07996   126.03498  -173.28723
   52    49 S   CO4  _C9_    80     1.47308   107.91502     2.94191
   53    52 S   O    _O34    81     1.21637   126.99771  -176.01370
   54    50 S   OS   _O35    52     1.39676   122.35385    -4.02934
   55    45 S   OS   _O33    82     1.43463   118.72978  -103.22923
   56    54 S   CO   _C12    53     1.47987   117.47809   -13.72733
   57    56 S   HC   _H6_    54     1.09756   107.94182   104.61337
   58    42 S   CT   _C6_    55     1.49323   122.33808    55.97297
   59    58 S   HC   _H3_    56     1.10681   102.58257   -83.41693
   60    56 S   OS1  _O36    57     1.42938   111.95830  -135.03458
   61    60 S   CO1  _C13    58     1.43005   113.52570   -65.49254
   62    61 S   HC   _H7_    59     1.09823   109.18514   -41.45842
   63    61 S   CT   _C14    60     1.53429   107.98932  -159.95064
   64    63 S   HC   _H8_    61     1.09565   110.83061    59.17023
   65    63 S   CT   _C15    62     1.53079   109.57383  -178.11228
   66    65 S   HC   _H9_    63     1.09712   108.60359   -66.95432
   67    63 S   OH5  _O41    78     1.43021   109.18426   -57.31208
   68    67 S   HO   _H19    79     0.97300   106.96636  -162.14033
   69    65 S   CT   _C16    64     1.53468   111.55631    53.00835
   70    69 S   HC   _H10    65     1.09597   109.67074  -174.13646
   71    65 S   OH5  _O40    76     1.42544   109.26684   176.41614
   72    71 S   HO   _H18    77     0.97252   107.64549  -172.46602
   73    69 S   CT   _C17    66     1.53857   109.52022   -52.25493
   74    73 S   HC   _H11    67     1.09806   109.89553   -63.69133
   75    69 S   OH5  _O39    74     1.42549   108.81132    69.31019
   76    75 S   HO   _H17    75     0.97378   108.75541   172.94848
   77    61 S   OS1  _O37    68     1.43122   111.38736    79.11319
   78    73 S   CT   _C18    69     1.52837   112.58915   174.72374
   79    78 S   HC   _H14    70     1.09425   111.11344    47.83279
   80    78 S   HC   _H15    71     1.09460   111.42991   -74.94512
   81    78 S   OH5  _O38    72     1.42557   108.99624   166.53132
   82    81 S   HO   _H16    73     0.97240   106.93642   177.48339
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   4   5   4   3
   6   2   2   1   1   6  10   4   3  14  11   5  11   6  13   7
   9   9   3   4   1   6   1   8   4   3   1   8  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39  
   36    37  
   37  
    0  
   39    40    41    42    43    58  
   40    41    42    43    44    45    47    56    58    59  
   41    42    43    58  
   42    43    58  
   43    44    45    46    47    48    49    54    56    57    58    59    60    55  
   44    45    46    47    48    49    56    58    59    52    55  
   45    46    47    58    55  
   46    47    48    49    50    56    58    59    52    53    55  
   47    48    49    58    52    55  
   48    49    50    51    54    56    57    58    59    60    52    53    55  
   49    50    56    58    59    52    55  
   50    51    54    56    58    59    52    53    55  
   51    54    56    57    58    60    52    53    55  
   54    56    52  
   53    55    54    58  
   55  
   56    57    58    59    60    61  
   58  
   57    58    59    60    61    62    63    77  
   58    59    60    61  
   59    60    61  
   60  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.219900   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   3.7500   0.1050   0.562400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   210.000  1.799
   33    34   570.000  1.229
   33    38   214.000  1.327
   38    39   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   317.000  1.510
   42    43   549.000  1.340
   42    58   317.000  1.510
   43    44   340.000  1.080
   43    45   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    55   320.000  1.410
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    58   268.000  1.529
   49    50   549.000  1.340
   49    52   320.000  1.462
   50    51   340.000  1.080
   50    54   440.000  1.360
   54    56   320.000  1.380
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    60   320.000  1.380
   58    59   340.000  1.090
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   52    53   570.000  1.229
   52    55   214.000  1.327
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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    90.00000  110.02000
   33    38    39    83.00000  116.90000
   38    33    34    83.00000  123.40000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    42    85.00000  110.90400
   39    42    43    70.00000  124.00000
   39    42    58    65.00000  117.92700
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    35.00000  120.00000
   42    43    45    70.00000  124.00000
   42    58    47    70.00000  112.02700
   42    58    56    70.00000  112.02700
   42    58    59    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    70.00000  112.02700
   43    45    55    85.00000  110.90400
   45    43    44    35.00000  117.00000
   45    47    48    37.50000  110.70000
   45    47    49    70.00000  112.02700
   45    47    58    58.35000  112.70000
   45    55    52    83.00000  116.90000
   47    45    46    37.50000  110.70000
   47    49    50    70.00000  124.00000
   47    49    52    65.00000  116.34900
   47    58    56    75.00000  109.43000
   47    58    59    37.50000  110.70000
   49    47    48    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    54    80.00000  120.01400
   49    52    53    80.00000  123.72100
   49    52    55    90.00000  111.29400
   50    54    56    85.00000  113.97000
   54    50    51    55.00000  109.52600
   54    56    57    35.00000  109.50000
   54    56    58    90.00000  108.56700
   54    56    60    92.60000  111.55000
   56    58    59    45.00000  108.72000
   56    60    61    90.00000  112.10700
   58    42    43    70.00000  124.00000
   58    47    48    37.50000  110.70000
   58    47    49    70.00000  112.02700
   58    56    57    45.00000  112.01100
   60    56    57    35.00000  109.50000
   60    56    58    90.00000  108.56700
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   52    49    50    65.00000  118.96000
   55    45    46    35.00000  109.50000
   55    45    47    50.00000  109.50000
   55    52    53    83.00000  123.40000
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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   2.00000 -1.0 2.0
   33    38    39    40   0.08050  1.0 3.0
   33    38    39    41   0.08050  1.0 3.0
   33    38    39    42  -0.82050  1.0 1.0
   33    38    39    42   0.00600 -1.0 2.0
   33    38    39    42   0.04400  1.0 3.0
   34    33    38    39   3.00000 -1.0 2.0
   38    39    42    43   0.39000  1.0 1.0
   38    39    42    43  -0.05800 -1.0 2.0
   38    39    42    43  -0.55150  1.0 3.0
   38    39    42    58   0.09700  1.0 1.0
   38    39    42    58   0.15600 -1.0 2.0
   38    39    42    58  -0.50800  1.0 3.0
   39    42    43    44   7.00000 -1.0 2.0
   39    42    43    45   7.00000 -1.0 2.0
   39    42    58    47   0.46850  1.0 1.0
   39    42    58    47   0.08550 -1.0 2.0
   39    42    58    47   0.09800  1.0 3.0
   39    42    58    56   0.46850  1.0 1.0
   39    42    58    56   0.08550 -1.0 2.0
   39    42    58    56   0.09800  1.0 3.0
   39    42    58    59   0.34800  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    58   0.34800  1.0 3.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    58   0.34800  1.0 3.0
   42    43    45    46   0.00000  1.0 1.0
   42    43   -45    47   0.09850  1.0 1.0
   42    43   -45    47   0.15250 -1.0 2.0
   42    43   -45    47  -0.50650  1.0 3.0
   42    43    45    55   0.39000  1.0 1.0
   42    43    45    55  -0.05800 -1.0 2.0
   42    43    45    55  -0.55150  1.0 3.0
   43    42   -58    47   0.09850  1.0 1.0
   43    42   -58    47   0.15250 -1.0 2.0
   43    42   -58    47  -0.50650  1.0 3.0
   43    42    58    56   0.09850  1.0 1.0
   43    42    58    56   0.15250 -1.0 2.0
   43    42    58    56  -0.50650  1.0 3.0
   43    42    58    59   0.00000  1.0 1.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.31000  1.0 1.0
   43    45    47    49   0.14700 -1.0 2.0
   43    45    47    49   0.07550  1.0 3.0
   43    45   -47    58   0.34400  1.0 1.0
   43    45   -47    58   0.09450 -1.0 2.0
   43    45   -47    58   0.11100  1.0 3.0
   43    45    55    52  -0.82050  1.0 1.0
   43    45    55    52   0.00600 -1.0 2.0
   43    45    55    52   0.04400  1.0 3.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    55   0.00000  1.0 1.0
   45    47    49    50   0.09850  1.0 1.0
   45    47    49    50   0.15250 -1.0 2.0
   45    47    49    50  -0.50650  1.0 3.0
   45    47   -49    52   0.09700  1.0 1.0
   45    47   -49    52   0.15600 -1.0 2.0
   45    47   -49    52  -0.50800  1.0 3.0
   45    47   -58    42   0.34400  1.0 1.0
   45    47   -58    42   0.09450 -1.0 2.0
   45    47   -58    42   0.11100  1.0 3.0
   45    47    58    56   3.97050  1.0 1.0
   45    47    58    59   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    58   0.15000  1.0 3.0
   46    45    55    52   0.08050  1.0 3.0
   47    45   -55    52  -0.25900  1.0 1.0
   47    45   -55    52  -0.47000 -1.0 2.0
   47    45   -55    52   0.11750  1.0 3.0
   47    49    50    51   7.00000 -1.0 2.0
   47    49    50    54   7.00000 -1.0 2.0
   47    49    52    53  -0.64400  1.0 1.0
   47    49    52    53   0.26850 -1.0 2.0
   47    49   -52    55  -0.15000  1.0 1.0
   47    49   -52    55   0.89550 -1.0 2.0
   47    49   -52    55  -0.06900  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    58    42   0.15000  1.0 3.0
   48    47    58    56   0.15000  1.0 3.0
   48    47    58    59   0.15000  1.0 3.0
   49    47    58    42   0.31000  1.0 1.0
   49    47    58    42   0.14700 -1.0 2.0
   49    47    58    42   0.07550  1.0 3.0
   49    47    58    56   0.34400  1.0 1.0
   49    47    58    56   0.09450 -1.0 2.0
   49    47    58    56   0.11100  1.0 3.0
   49    47    58    59   0.15000  1.0 3.0
   49    50   -54    56  -2.26850  1.0 1.0
   49    50   -54    56   3.39050 -1.0 2.0
   49    52   -55    45   2.00000 -1.0 2.0
   50    49    52    53   1.00000 -1.0 2.0
   50    49    52    55  -0.56150  1.0 1.0
   50    49    52    55   2.19150 -1.0 2.0
   50    54    56    57   0.08050  1.0 3.0
   50    54    56    58  -0.46850  1.0 1.0
   50    54    56    58   0.09300 -1.0 2.0
   50    54    56    58  -0.12850  1.0 3.0
   50    54    56    60  -0.48150  1.0 1.0
   50    54    56    60   0.09250 -1.0 2.0
   50    54    56    60  -0.12850  1.0 3.0
   51    50    54    56   0.50000 -1.0 2.0
   54    56    58    42   0.61850  1.0 1.0
   54    56    58    42  -0.22750 -1.0 2.0
   54    56    58    42   0.15300  1.0 3.0
   54    56   -58    47   0.62750  1.0 1.0
   54    56   -58    47  -0.30950 -1.0 2.0
   54    56   -58    47   0.27300  1.0 3.0
   54    56    58    59   0.23400  1.0 3.0
   54    56    60    61  -0.53350  1.0 1.0
   54    56    60    61  -0.78350 -1.0 2.0
   54    56    60    61   0.33750  1.0 3.0
   56    60    61    62   0.37050  1.0 3.0
   56    60    61    63   0.06250  1.0 1.0
   56    60    61    63  -0.01100 -1.0 2.0
   56    60    61    63   0.28050  1.0 3.0
   56    60    61    77  -0.12700  1.0 1.0
   56    60    61    77  -1.16200 -1.0 2.0
   56    60    61    77   0.58800  1.0 3.0
   57    56    58    42   0.15000  1.0 3.0
   57    56    58    47   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    60    61   0.37050  1.0 3.0
   58    42    43    44   7.00000 -1.0 2.0
   58    42   -43    45   7.00000 -1.0 2.0
   58    47   -49    50   0.09850  1.0 1.0
   58    47   -49    50   0.15250 -1.0 2.0
   58    47   -49    50  -0.50650  1.0 3.0
   58    47    49    52   0.09700  1.0 1.0
   58    47    49    52   0.15600 -1.0 2.0
   58    47    49    52  -0.50800  1.0 3.0
   58    56    60    61   0.06250  1.0 1.0
   58    56    60    61  -0.01100 -1.0 2.0
   58    56    60    61   0.28050  1.0 3.0
   60    56    58    42   0.61850  1.0 1.0
   60    56    58    42  -0.22750 -1.0 2.0
   60    56    58    42   0.15300  1.0 3.0
   60    56    58    47   0.62750  1.0 1.0
   60    56    58    47  -0.30950 -1.0 2.0
   60    56    58    47   0.27300  1.0 3.0
   60    56    58    59   0.23400  1.0 3.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   52    49    50    51   7.00000 -1.0 2.0
   52    49    50    54   7.00000 -1.0 2.0
   53    52    55    45   3.00000 -1.0 2.0
   55    45    47    48   0.23400  1.0 3.0
   55    45   -47    49   0.61850  1.0 1.0
   55    45   -47    49  -0.22750 -1.0 2.0
   55    45   -47    49   0.15300  1.0 3.0
   55    45    47    58   0.62750  1.0 1.0
   55    45    47    58  -0.30950 -1.0 2.0
   55    45    47    58   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
   39    58    42    43   1.10000 -1.0 2.0
   45    44    43    42   1.10000 -1.0 2.0
   47    52    49    50   1.10000 -1.0 2.0
   54    51    50    49   1.10000 -1.0 2.0
   49    55    52    53  10.50000 -1.0 2.0
END
