* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    145    221     424
    1     0 S   NP   _N1_     1    28.67581    95.51151   -21.65619
    2     1 S   H    _HN1     2     1.02809    93.04230   -68.47709
    3     1 S   H    _H1_     3     1.02950    77.71878    39.54520
    4     1 S   H    _H2_     4     1.02823    39.66533   176.78972
    5     1 S   CT   _CA1     5     1.50118   148.00939   148.53074
    6     5 S   HC   _HA1     6     1.09568   105.23630    77.75889
    7     5 S   CO3  _C1_     7     1.53761   112.51435   -42.62881
    8     7 S   O2Z  _O11     8     1.26372   115.01293   -43.26150
    9     7 S   O2Z  _O12     9     1.26240   114.94335   135.97600
   10     5 S   CT   _CB1    10     1.53009   107.34737  -164.24571
   11    10 S   HC   HB11    11     1.09807   109.28614   -49.89271
   12    10 S   HC   HB12    12     1.09818   110.42817    66.64019
   13    10 S   CT   _CG1    13     1.53018   112.76740  -170.76499
   14    13 S   HC   HG11    14     1.09561   110.78495   -65.57640
   15    13 S   HC   HG12    15     1.09657   109.77947    53.81743
   16    13 S   C    _CD1    16     1.51710   111.79279   174.33479
   17    16 S   O    _OE1    17     1.22708   123.03738    11.76115
   18    16 S   N    _N2_    18     1.38492   112.03348  -168.78223
   19    18 S   H    _HN2    19     1.01611   118.99570    -1.26795
   20    18 S   CT1  _CA2    20     1.46211   123.26857   176.38740
   21    20 S   HC   _HA2    21     1.09645   108.98713   -16.59391
   22    20 S   C    _C2_    22     1.53346   107.80388  -131.10996
   23    22 S   O    _O2_    23     1.22966   122.68886  -144.22719
   24    20 S   CT   _CB2    32     1.53350   111.99852   105.98878
   25    24 S   HC   HB21    33     1.09622   109.94151    53.39360
   26    24 S   HC   HB22    34     1.09534   111.15735   171.30071
   27    22 S   N    _N3_    24     1.38465   113.03653    43.32108
   28    27 S   H    _HN3    25     1.01639   119.43961    -4.41637
   29    24 S   S    _SG2    35     1.82605   113.09058   -66.54557
   30    27 S   CT   _CA3    26     1.45257   123.19895   176.28279
   31    30 S   HC   HA31    27     1.09553   107.66286   -59.76084
   32    30 S   HC   HA32    28     1.09550   107.79999    56.65077
   33    29 S   CO4  _C23    36     1.76413    99.45677   -69.14449
   34    33 S   O    _O40    37     1.22531   121.67328   -47.43637
   35    30 S   CO3  _C3_    29     1.52942   114.08417   178.49455
   36    35 S   O2Z  _O31    30     1.26371   116.04585    -1.58585
   37    35 S   O2Z  _O32    31     1.26421   114.42956   178.46418
   38    33 S   CT   _C22    38     1.50921   114.90371   133.47097
   39    38 S   HC   _H20    39     1.09549   107.26463   112.43641
   40    38 S   HC   _H21    40     1.09498   110.98634    -5.48026
   41    38 S   CO4  _C21    41     1.51605   114.21362  -127.14737
   42    41 S   O    _O39    42     1.23033   122.13240     4.71613
   43    41 S   CT   _C20    43     1.51488   115.94278  -178.54075
   44    43 S   HC   _H18    44     1.09476   106.90247   -80.52639
   45    43 S   HC   _H19    45     1.09476   109.31017    37.19592
   46    43 S   CO4  _C19    46     1.51502   115.15788   157.74114
   47    46 S   O    _O38    47     1.23101   121.46759   -30.15591
   48    46 S   CT   _C18    48     1.52531   115.98076   153.61712
   49    48 S   HC   _H16    49     1.09459   108.46803   -46.45948
   50    48 S   HC   _H17    50     1.09569   108.32589    69.00494
   51    48 S   CM   _C9_    51     1.51296   111.49794  -169.09041
   52    51 S   CM   _C8_    52     1.34707   124.36012    92.47308
   53    52 S   CT   _C17    53     1.50060   124.87962  -179.64392
   54    53 S   HC   _H3_    54     1.09777   108.06119  -127.57669
   55    52 S   CO4  _C7_    72     1.48966   119.35066     1.60267
   56    55 S   O    _O34    73     1.22923   119.65866    90.46721
   57    53 S   CA   _C16    55     1.51436   114.93070    -6.84453
   58    53 S   OH   _O35    70     1.42879   107.76780   116.07219
   59    58 S   HO   _H13    71     0.97275   107.87280  -172.00100
   60    55 S   CT   _C6_    74     1.51247   117.26065   -92.21231
   61    60 S   HC   _H7_    75     1.09486   110.06188    18.13857
   62    60 S   HC   _H8_    76     1.09521   107.16144   -99.84975
   63    57 S   CA   _C11    56     1.40632   120.75806     6.55042
   64    60 S   CO4  _C5_    77     1.51320   114.56505   139.38929
   65    64 S   O    _O33    78     1.23046   122.55079   -13.83972
   66    63 S   CA   _C12    57     1.40589   119.72165   179.53522
   67    66 S   HA   _H11    58     1.08748   119.63454  -179.65338
   68    51 S   CT   _C10    67     1.51112   114.83988   -87.58414
   69    68 S   HC   _H9_    68     1.09684   108.94779    63.96657
   70    68 S   HC   _H10    69     1.09795   108.08589   -53.02869
   71    64 S   CT   _C4_    79     1.50630   116.38465   168.77481
   72    71 S   HC   _H4_    80     1.09240   109.59102    69.71488
   73    71 S   HC   _H5_    81     1.09285   109.79487   -51.43855
   74    71 S   HC   _H6_    82     1.09290   109.59153  -170.25672
   75    66 S   CA   _C13    59     1.39293   120.26904     0.51129
   76    75 S   CA   _C14    60     1.38846   120.74492    -0.11869
   77    76 S   HA   _H12    61     1.08601   119.99096  -179.97202
   78    75 S   OH   _O37    65     1.36621   121.07261   179.87180
   79    78 S   HO   _H15    66     0.97242   108.64985     0.13988
   80    57 S   CA   _C15    62     1.40676   120.60763  -173.30461
   81    80 S   OH   _O36    63     1.37075   118.75447    -0.22814
   82    81 S   HO   _H14    64     0.97276   108.73289   178.93247
  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   6   5   4   3
   7   4   2   1   1   8   4   3   7   4   8   4   3   7   4  10
   4   3  13  16  13   6  10   4  14   3   1   8   4   3  10   5
   4  10   4   4   1   1   3   2   1   1   6   6   3   2   1   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    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46  
   40    41    42    43  
   41    42    43  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48  
   47    48    49    50    51    52    68  
   48    49    50    51  
   49    50    51    52    53    63    68    69    70    55  
   50    51    52    68  
   51    52    68  
   52    53    54    57    63    66    68    69    70    58    55    56    60  
   53    54    57    63    80    68    69    70    58    59    55    56    60    61    62    64  
   54    57    63    66    76    80    81    68    58    59    55    56    60  
   57    63    80    58    59    55  
   56    60    61    62    64    65    71    57    58    68  
   60    61    62    64  
   63    66    67    75    76    77    80    81    82    68    69    70    58    59  
   59    63    80  
    0  
   61    62    64    65    71    72    73    74  
   62    64    65    71  
   64    65    71  
   66    67    75    76    80    81    78    68    69    70  
   65    71    72    73    74  
   71    72    73    74  
   67    75    76    77    80    78    79    68    69    70  
   75    76    78    68  
   69    70    75    80  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
   76    77    80    81    78    79  
   77    80    81    82    78    79  
   80    81    78  
   79    80  
    0  
   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   0.482400   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700   0.150000   2.0020   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   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   317.000  1.522
   46    47   570.000  1.229
   46    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   549.000  1.340
   51    68   317.000  1.510
   52    53   317.000  1.510
   52    55   320.000  1.462
   53    54   340.000  1.090
   53    57   317.000  1.510
   53    58   320.000  1.410
   57    63   469.000  1.400
   57    80   469.000  1.400
   63    66   469.000  1.400
   63    68   317.000  1.510
   66    67   367.000  1.080
   66    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   450.000  1.364
   81    82   553.000  0.945
   78    79   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   58    59   553.000  0.945
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   317.000  1.522
   64    65   570.000  1.229
   64    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    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    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    75.00000  107.99600
   38    33    34    80.00000  120.40000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    75.00000  107.99600
   43    41    42    80.00000  120.40000
   43    46    47    80.00000  120.40000
   43    46    48    70.00000  116.00000
   45    43    44    33.00000  107.80000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    70.00000  109.06800
   48    46    47    80.00000  120.40000
   48    51    52    70.00000  124.00000
   48    51    68    65.00000  117.92700
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    70.00000  124.00000
   51    52    55    65.00000  118.96000
   51    68    63    70.00000  112.99600
   51    68    69    35.00000  109.50000
   51    68    70    35.00000  109.50000
   52    53    54    35.00000  109.50000
   52    53    57    70.00000  112.99600
   52    53    58    90.00000  110.39200
   52    55    56    80.00000  123.72100
   52    55    60    65.00000  118.62400
   53    57    63    70.00000  120.00000
   53    57    80    70.00000  120.00000
   53    58    59    55.00000  108.50000
   57    53    54    35.00000  109.50000
   57    63    66    63.00000  120.00000
   57    63    68    70.00000  120.00000
   57    80    76    63.00000  120.00000
   57    80    81    70.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    75    63.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   66    75    76    63.00000  120.00000
   66    75    78    70.00000  120.00000
   75    66    67    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    70.00000  120.00000
   80    57    63    63.00000  120.00000
   80    76    77    35.00000  120.00000
   80    81    82    35.00000  113.00000
   78    75    76    70.00000  120.00000
   68    51    52    70.00000  124.00000
   68    63    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    57    90.00000  112.51600
   55    52    53    65.00000  116.34900
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    64    75.00000  107.99600
   60    55    56    80.00000  120.40000
   60    64    65    80.00000  120.40000
   60    64    71    70.00000  116.00000
   62    60    61    33.00000  107.80000
   64    60    61    35.00000  109.50000
   64    60    62    35.00000  109.50000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   71    64    65    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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   0.00000  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   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41    43    46   0.65300  1.0 1.0
   38    41    43    46  -0.03850 -1.0 2.0
   38    41    43    46   0.33900  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47   0.30150 -1.0 2.0
   41    43    46    48   0.65300  1.0 1.0
   41    43    46    48  -0.03850 -1.0 2.0
   41    43    46    48   0.33900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    50   0.00000  1.0 1.0
   43    46    48    51   0.65300  1.0 1.0
   43    46    48    51  -0.03850 -1.0 2.0
   43    46    48    51   0.33900  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   45    43    46    47   0.00000  1.0 1.0
   45    43    46    48   0.00000  1.0 1.0
   46    48    51    52  -0.51250  1.0 1.0
   46    48    51    52  -0.88800 -1.0 2.0
   46    48    51    52   0.08850  1.0 3.0
   46    48    51    68   0.17250  1.0 1.0
   46    48    51    68  -0.04100 -1.0 2.0
   46    48    51    68  -0.33850  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.30150 -1.0 2.0
   48    51    52    53   7.00000 -1.0 2.0
   48    51    52    55   7.00000 -1.0 2.0
   48    51    68    63   0.09700  1.0 1.0
   48    51    68    63   0.15600 -1.0 2.0
   48    51    68    63  -0.50800  1.0 3.0
   48    51    68    69   0.34800  1.0 3.0
   48    51    68    70   0.34800  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    68   0.34800  1.0 3.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    68   0.34800  1.0 3.0
   51    52    53    54   0.00000  1.0 1.0
   51    52    53    57   1.44450  1.0 1.0
   51    52    53    57   0.06600 -1.0 2.0
   51    52    53    57   0.29250  1.0 3.0
   51    52    53    58   0.67800  1.0 1.0
   51    52    53    58   0.47050 -1.0 2.0
   51    52    53    58  -0.62500  1.0 3.0
   51    52    55    56   1.00000 -1.0 2.0
   51    52    55    60  -0.33500  1.0 1.0
   51    52    55    60   1.06600 -1.0 2.0
   51    52    55    60  -0.14000  1.0 3.0
   52    51    68    63   1.44450  1.0 1.0
   52    51    68    63   0.06600 -1.0 2.0
   52    51    68    63   0.29250  1.0 3.0
   52    51    68    69   0.00000  1.0 1.0
   52    51    68    70   0.00000  1.0 1.0
   52    53   -57    63   0.18050 -1.0 2.0
   52    53    57    80   0.18050 -1.0 2.0
   52    53    58    59  -0.07800  1.0 1.0
   52    53    58    59  -0.21500 -1.0 2.0
   52    53    58    59  -0.03150  1.0 3.0
   52    55    60    61   0.00000  1.0 1.0
   52    55    60    62   0.00000  1.0 1.0
   52    55    60    64   0.65300  1.0 1.0
   52    55    60    64  -0.03850 -1.0 2.0
   52    55    60    64   0.33900  1.0 3.0
   53    52    55    56  -0.64400  1.0 1.0
   53    52    55    56   0.26850 -1.0 2.0
   53    52    55    60   0.25700  1.0 1.0
   53    52    55    60   0.66200 -1.0 2.0
   53    52    55    60   0.04450  1.0 3.0
   53    57    63    66   3.62500 -1.0 2.0
   53    57    63    68   3.62500 -1.0 2.0
   53    57    80    76   3.62500 -1.0 2.0
   53    57    80    81   3.62500 -1.0 2.0
   54    53    57    63   0.00000  1.0 1.0
   54    53    57    80   0.00000  1.0 1.0
   54    53    58    59   0.19450  1.0 3.0
   57    53    58    59   0.31900  1.0 1.0
   57    53    58    59  -0.11800 -1.0 2.0
   57    53    58    59   0.38750  1.0 3.0
   57    63    66    67   3.62500 -1.0 2.0
   57    63    66    75   3.62500 -1.0 2.0
   57    63   -68    51   0.18050 -1.0 2.0
   57    63    68    69   0.00000  1.0 1.0
   57    63    68    70   0.00000  1.0 1.0
   57    80    81    82   0.84100 -1.0 2.0
   63    57    80    76   3.62500 -1.0 2.0
   63    57    80    81   3.62500 -1.0 2.0
   63    66   -75    76   3.62500 -1.0 2.0
   63    66    75    78   3.62500 -1.0 2.0
   66    63    68    51   0.18050 -1.0 2.0
   66    63    68    69   0.00000  1.0 1.0
   66    63    68    70   0.00000  1.0 1.0
   66    75    76    77   3.62500 -1.0 2.0
   66    75    76    80   3.62500 -1.0 2.0
   66    75    78    79   0.84100 -1.0 2.0
   67    66    75    76   3.62500 -1.0 2.0
   67    66    75    78   3.62500 -1.0 2.0
   75    76   -80    57   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   76    80    81    82   0.84100 -1.0 2.0
   77    76    80    57   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   80    57   -63    66   3.62500 -1.0 2.0
   80    57    63    68   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
   68    51   -52    53   7.00000 -1.0 2.0
   68    51    52    55   7.00000 -1.0 2.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    75   3.62500 -1.0 2.0
   58    53    57    63   0.14300 -1.0 2.0
   58    53    57    63   0.00300  1.0 3.0
   58    53    57    80   0.14300 -1.0 2.0
   58    53    57    80   0.00300  1.0 3.0
   55    52    53    54   0.15000  1.0 3.0
   55    52    53    57   0.09700  1.0 1.0
   55    52    53    57   0.15600 -1.0 2.0
   55    52    53    57  -0.50800  1.0 3.0
   55    52    53    58   0.09700  1.0 1.0
   55    52    53    58   0.15600 -1.0 2.0
   55    52    53    58  -0.50800  1.0 3.0
   55    60    64    65   0.30150 -1.0 2.0
   55    60    64    71   0.65300  1.0 1.0
   55    60    64    71  -0.03850 -1.0 2.0
   55    60    64    71   0.33900  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    64   0.30150 -1.0 2.0
   60    64    71    72   0.00000  1.0 1.0
   60    64    71    73   0.00000  1.0 1.0
   60    64    71    74   0.00000  1.0 1.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    71   0.00000  1.0 1.0
   62    60    64    65   0.00000  1.0 1.0
   62    60    64    71   0.00000  1.0 1.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.00000  1.0 1.0
   65    64    71    74   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
   29    38    33    34  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   43    48    46    47  10.50000 -1.0 2.0
   48    68    51    52   1.10000 -1.0 2.0
   55    53    52    51   1.10000 -1.0 2.0
   63    80    57    53   4.00000 -1.0 2.0
   66    68    63    57   4.00000 -1.0 2.0
   75    67    66    63   1.10000 -1.0 2.0
   76    78    75    66   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   76    81    80    57   4.00000 -1.0 2.0
   52    60    55    56  10.50000 -1.0 2.0
   60    71    64    65  10.50000 -1.0 2.0
END
