* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    144    214     419
    1     0 S   NP   _N1_     1    29.73602    91.32407   -23.30398
    2     1 S   H    _HN1     2     1.03218   103.51957    26.58221
    3     1 S   H    _H1_     3     1.02977     8.95173   136.53476
    4     1 S   H    _H2_     4     1.02735   101.38027   -85.38523
    5     1 S   CT   _CA1     5     1.50478   119.06096   150.71118
    6     5 S   HC   _HA1     6     1.09680   104.68752    61.94717
    7     5 S   CO3  _C1_     7     1.54428   110.89101   -53.93778
    8     7 S   O2Z  _O11     8     1.26058   116.73406  -117.10116
    9     7 S   O2Z  _O12     9     1.26555   113.92293    61.49171
   10     5 S   CT   _CB1    10     1.53087   106.77273   177.81439
   11    10 S   HC   HB11    11     1.09839   109.63248   -44.53741
   12    10 S   HC   HB12    12     1.09749   110.26499    71.93333
   13    10 S   CT   _CG1    13     1.53053   112.83938  -165.44523
   14    13 S   HC   HG11    14     1.09477   110.81277   -57.72610
   15    13 S   HC   HG12    15     1.09629   110.14170    61.40959
   16    13 S   C    _CD1    16     1.51826   111.63407  -178.93229
   17    16 S   O    _OE1    17     1.22790   123.02148   -17.20537
   18    16 S   N    _N2_    18     1.38587   112.05017   163.80682
   19    18 S   H    _HN2    19     1.01596   119.15047     0.77859
   20    18 S   CT1  _CA2    20     1.46188   123.16426  -179.75772
   21    20 S   HC   _HA2    21     1.09746   109.18373   -14.06742
   22    20 S   C    _C2_    22     1.53400   108.42747  -129.50798
   23    22 S   O    _O2_    23     1.23022   122.41959  -148.27670
   24    20 S   CT   _CB2    32     1.53454   111.85843   107.85012
   25    24 S   HC   HB21    33     1.09624   110.19503    57.03504
   26    24 S   HC   HB22    34     1.09555   109.96962   175.72877
   27    22 S   N    _N3_    24     1.38389   113.44671    39.28560
   28    27 S   H    _HN3    25     1.01655   119.49898    -3.61043
   29    24 S   S    _SG2    35     1.82364   112.01865   -64.09931
   30    27 S   CT   _CA3    26     1.45295   123.06034   176.87739
   31    30 S   HC   HA31    27     1.09554   107.52758   -63.61763
   32    30 S   HC   HA32    28     1.09560   107.93253    52.77182
   33    29 S   CO4  _C23    36     1.76864   100.49305  -179.84934
   34    33 S   O    _O41    37     1.22302   122.19647     9.85465
   35    30 S   CO3  _C3_    29     1.52918   114.18045   174.76086
   36    35 S   O2Z  _O31    30     1.26356   116.05843    -0.69097
   37    35 S   O2Z  _O32    31     1.26428   114.41066   179.37162
   38    33 S   CT   _C22    38     1.51132   112.69485  -171.94019
   39    38 S   HC   _H20    39     1.09619   107.40195   -65.80260
   40    38 S   HC   _H21    40     1.09553   108.85718    52.41089
   41    38 S   CO4  _C21    41     1.51644   116.51307   173.44707
   42    41 S   O    _O40    42     1.22992   123.11153   -17.10395
   43    41 S   CT   _C20    43     1.51355   116.32144   165.71148
   44    43 S   HC   _H18    44     1.09522   108.66485  -163.29650
   45    43 S   HC   _H19    45     1.09484   108.24454   -46.48450
   46    43 S   CO4  _C19    46     1.51264   114.10725    75.67818
   47    46 S   O    _O39    47     1.23041   121.56744    14.02109
   48    46 S   CT   _C18    48     1.51812   115.75270  -167.22260
   49    48 S   HC   _H16    49     1.09527   108.92554    55.47686
   50    48 S   HC   _H17    50     1.09683   107.62763   -59.66775
   51    48 S   CA   _C13    51     1.51074   113.75368   178.35884
   52    51 S   CA   _C14    52     1.40424   118.73888    99.86194
   53    52 S   HA   _H12    53     1.08786   120.25350     0.68041
   54    52 S   CA   _C15    54     1.39413   120.49345  -179.12912
   55    54 S   CA   _C16    55     1.39138   120.95563    -0.06853
   56    55 S   HA   _H13    56     1.08640   120.71388  -179.54889
   57    54 S   OH   _O38    82     1.36665   118.03587  -179.95577
   58    57 S   HO   _H15    83     0.97251   108.63972   179.95154
   59    55 S   CA   _C17    57     1.39337   119.30987     0.18975
   60    51 S   CA   _C12    58     1.40901   122.91980   -78.46161
   61    59 S   OH   _O37    80     1.36801   116.31249  -179.11353
   62    61 S   HO   _H14    81     0.97267   110.26181   169.86403
   63    60 S   CO4  _C11    59     1.47509   119.69908     0.53339
   64    63 S   O    _O36    60     1.22581   119.28954   -78.84325
   65    63 S   CT   _C10    61     1.51022   117.19513   101.70530
   66    65 S   HC   _H10    62     1.09530   107.25138  -123.41522
   67    65 S   HC   _H11    63     1.09514   110.23625    -6.08860
   68    65 S   CO4  _C9_    64     1.51192   114.35180   115.61559
   69    68 S   O    _O35    65     1.23034   121.86087   -11.76120
   70    68 S   CT   _C8_    66     1.51091   115.99294   168.96791
   71    70 S   HC   _H8_    67     1.09537   108.22510   -71.97733
   72    70 S   HC   _H9_    68     1.09480   109.21255    45.17082
   73    70 S   CO4  _C7_    69     1.51357   114.60383   166.61278
   74    73 S   O    _O34    70     1.23083   120.39477   107.66970
   75    73 S   CT   _C6_    71     1.51710   116.44707   -71.64939
   76    75 S   HC   _H6_    72     1.09444   108.12191    70.60826
   77    75 S   HC   _H7_    73     1.09549   107.51123   -47.12509
   78    75 S   CO4  _C5_    74     1.51502   117.10161  -167.62694
   79    78 S   O    _O33    75     1.22969   123.56369    -7.45893
   80    78 S   CT   _C4_    76     1.50754   115.86989   173.12089
   81    80 S   HC   _H3_    77     1.09274   109.58606    59.76540
   82    80 S   HC   _H4_    78     1.09356   109.73714   179.25192
   83    80 S   HC   _H5_    79     1.09280   109.57542   -61.32845
  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   9
   4   3  11   9   4   7   8   4   2   1   6   8   2   1   7   4
   8   4   3   7   4   8   4   3   7   4   8   4   3   5   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    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    60  
   48    49    50    51  
   49    50    51    52    53    54    59    60    63  
   50    51    52    60  
   51    52    60  
   52    53    54    55    59    60    63    64    65    61    57  
   53    54    55    56    59    60    63    57    58  
   54    55    60    57  
   55    56    59    60    61    57    58  
   56    59    60    63    61    62    57    58  
   59    60    61    57  
   58    59  
    0  
   60    63    64    65    61    62  
   63    64    65    66    67    68    61    62  
   62    63  
    0  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68    69    70    71    72    73  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.005000   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   469.000  1.400
   51    60   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    63   310.000  1.470
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.522
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   61    62   553.000  0.945
   57    58   553.000  0.945
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  110.93000
   48    46    47    80.00000  120.40000
   48    51    52    70.00000  120.00000
   48    51    60    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    60    59    63.00000  120.00000
   51    60    63    60.00000  119.52600
   52    54    55    63.00000  120.00000
   52    54    57    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    59    63.00000  120.00000
   54    57    58    35.00000  113.00000
   55    59    60    63.00000  120.00000
   55    59    61    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    60    63    60.00000  119.52600
   59    61    62    35.00000  113.00000
   60    51    52    63.00000  120.00000
   60    63    64    75.00000  123.78400
   60    63    65    65.00000  115.47100
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    75.00000  107.99600
   65    63    64    80.00000  120.40000
   65    68    69    80.00000  120.40000
   65    68    70    70.00000  116.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    75.00000  107.99600
   70    68    69    80.00000  120.40000
   70    73    74    80.00000  120.40000
   70    73    75    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    75.00000  107.99600
   75    73    74    80.00000  120.40000
   75    78    79    80.00000  120.40000
   75    78    80    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   80    78    79    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   61    59    60    70.00000  120.00000
   57    54    55    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  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   0.04300 -1.0 2.0
   46    48    51    60   0.04300 -1.0 2.0
   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   3.62500 -1.0 2.0
   48    51    52    54   3.62500 -1.0 2.0
   48    51    60    59   3.62500 -1.0 2.0
   48    51    60    63   3.62500 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    60   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    60   0.00000  1.0 1.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    57   3.62500 -1.0 2.0
   51    60    63    64   1.05000 -1.0 2.0
   51    60    63    65   2.26350  1.0 1.0
   51    60    63    65   0.76750 -1.0 2.0
   51    60    63    65   0.22500  1.0 3.0
   52    51    60    59   3.62500 -1.0 2.0
   52    51    60    63   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54   -55    59   3.62500 -1.0 2.0
   52    54    57    58   0.84100 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   54    55    59    60   3.62500 -1.0 2.0
   54    55    59    61   3.62500 -1.0 2.0
   55    54    57    58   0.84100 -1.0 2.0
   55    59   -60    51   3.62500 -1.0 2.0
   55    59    60    63   3.62500 -1.0 2.0
   55    59    61    62   0.84100 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   59    60    63    64   1.05000 -1.0 2.0
   59    60    63    65   2.26350  1.0 1.0
   59    60    63    65   0.76750 -1.0 2.0
   59    60    63    65   0.22500  1.0 3.0
   60    51    52    53   3.62500 -1.0 2.0
   60    51   -52    54   3.62500 -1.0 2.0
   60    59    61    62   0.84100 -1.0 2.0
   60    63    65    66   0.00000  1.0 1.0
   60    63    65    67   0.00000  1.0 1.0
   60    63    65    68   0.65300  1.0 1.0
   60    63    65    68  -0.03850 -1.0 2.0
   60    63    65    68   0.33900  1.0 3.0
   63    65    68    69   0.30150 -1.0 2.0
   63    65    68    70   0.65300  1.0 1.0
   63    65    68    70  -0.03850 -1.0 2.0
   63    65    68    70   0.33900  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.30150 -1.0 2.0
   65    68    70    71   0.00000  1.0 1.0
   65    68    70    72   0.00000  1.0 1.0
   65    68    70    73   0.65300  1.0 1.0
   65    68    70    73  -0.03850 -1.0 2.0
   65    68    70    73   0.33900  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    73    74   0.30150 -1.0 2.0
   68    70    73    75   0.65300  1.0 1.0
   68    70    73    75  -0.03850 -1.0 2.0
   68    70    73    75   0.33900  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.30150 -1.0 2.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.65300  1.0 1.0
   70    73    75    78  -0.03850 -1.0 2.0
   70    73    75    78   0.33900  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    75   0.00000  1.0 1.0
   73    75    78    79   0.30150 -1.0 2.0
   73    75    78    80   0.65300  1.0 1.0
   73    75    78    80  -0.03850 -1.0 2.0
   73    75    78    80   0.33900  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.30150 -1.0 2.0
   75    78    80    81   0.00000  1.0 1.0
   75    78    80    82   0.00000  1.0 1.0
   75    78    80    83   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    80   0.00000  1.0 1.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    83   0.00000  1.0 1.0
   61    59    60    51   3.62500 -1.0 2.0
   61    59    60    63   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    59   3.62500 -1.0 2.0
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
   52    60    51    48   4.00000 -1.0 2.0
   54    53    52    51   1.10000 -1.0 2.0
   55    57    54    52   4.00000 -1.0 2.0
   59    56    55    54   1.10000 -1.0 2.0
   60    61    59    55   4.00000 -1.0 2.0
   59    63    60    51   4.00000 -1.0 2.0
   60    65    63    64  10.50000 -1.0 2.0
   65    70    68    69  10.50000 -1.0 2.0
   70    75    73    74  10.50000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
END
