* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    155    242     460
    1     0 S   NP   _N1_     1    28.84018    96.55722   -22.56111
    2     1 S   H    _HN1     2     1.02782    91.67970   -64.72656
    3     1 S   H    _H1_     3     1.02953    75.73232    43.78930
    4     1 S   H    _H2_     4     1.02834    42.51247  -179.73020
    5     1 S   CT   _CA1     5     1.50062   150.51420   150.12152
    6     5 S   HC   _HA1     6     1.09583   105.21834    80.25019
    7     5 S   CO3  _C1_     7     1.53736   112.62463   -39.87954
    8     7 S   O2Z  _O11     8     1.26335   115.10586   -41.45645
    9     7 S   O2Z  _O12     9     1.26227   114.86169   137.89362
   10     5 S   CT   _CB1    10     1.53080   107.47774  -161.89891
   11    10 S   HC   HB11    11     1.09815   109.26263   -52.20027
   12    10 S   HC   HB12    12     1.09818   110.43997    64.37486
   13    10 S   CT   _CG1    13     1.52929   112.58054  -173.40305
   14    13 S   HC   HG11    14     1.09577   110.20143   -65.40262
   15    13 S   HC   HG12    15     1.09657   110.07252    53.78311
   16    13 S   C    _CD1    16     1.51744   112.55574   174.27762
   17    16 S   O    _OE1    17     1.22702   123.36484    -2.82757
   18    16 S   N    _N2_    18     1.38587   111.42243   177.44350
   19    18 S   H    _HN2    19     1.01549   118.98732     1.68563
   20    18 S   CT1  _CA2    20     1.46176   123.63021  -179.96574
   21    20 S   HC   _HA2    21     1.09729   109.39039    -8.30957
   22    20 S   C    _C2_    22     1.53442   108.36809  -123.83815
   23    22 S   O    _O2_    23     1.23023   122.44144  -149.25935
   24    20 S   CT   _CB2    32     1.53319   111.25787   113.85036
   25    24 S   HC   HB21    33     1.09606   109.79390    54.09469
   26    24 S   HC   HB22    34     1.09473   110.38339   173.23444
   27    22 S   N    _N3_    24     1.38387   113.50526    38.29178
   28    27 S   H    _HN3    25     1.01634   119.46147    -3.54354
   29    24 S   S    _SG2    35     1.82948   111.33827   -66.96464
   30    27 S   CT   _CA3    26     1.45277   123.14949   177.05530
   31    30 S   HC   HA31    27     1.09551   107.52014   -64.18090
   32    30 S   HC   HA32    28     1.09558   107.96103    52.23737
   33    29 S   CT   _C19    36     1.84366    99.67557   165.40728
   34    33 S   HC   _H5_    37     1.08964   104.14795   -49.84389
   35    30 S   CO3  _C3_    29     1.52932   114.11923   174.22443
   36    35 S   O2Z  _O31    30     1.26367   116.05636    -0.70969
   37    35 S   O2Z  _O32    31     1.26429   114.41236   179.34598
   38    33 S   CM   _C20    38     1.51100   109.78122    67.24862
   39    38 S   HC   _H24    39     1.08851   116.42055    56.14460
   40    33 S   CM   _C5_    46     1.53498   109.45921  -168.29501
   41    38 S   CM   _C21    40     1.34174   124.93602  -123.33850
   42    40 S   CMA  _C6_    47     1.36681   124.73222   109.97562
   43    42 S   OM   _O35    48     1.26589   129.69119  -179.85463
   44    40 S   CT   _C4_    80     1.52487   115.38821   -70.41736
   45    44 S   HC   _H6_    81     1.09479   110.36776   -68.52368
   46    44 S   HC   _H7_    82     1.09401   111.27443    52.05962
   47    44 S   HC   _H8_    83     1.09455   113.29488   171.67143
   48    41 S   CO3  _C22    41     1.55013   122.29016   179.65395
   49    48 S   O2Z  _O37    42     1.26281   116.81022    -0.65312
   50    48 S   O2Z  _O36    43     1.26780   113.96808   179.44999
   51    41 S   OH   _O38    44     1.38273   121.59470    -0.25564
   52    51 S   HO   _H25    45     0.97566   106.13360  -179.44117
   53    42 S   CT   _C7_    49     1.53675   120.86925     1.57868
   54    53 S   HC   _H9_    50     1.09454   110.56384    36.90418
   55    53 S   HC   _H10    51     1.10208   110.72591   150.30849
   56    53 S   CT   _C8_    52     1.54080   112.65153   -88.03247
   57    56 S   HC   _H11    53     1.09660   110.06367    56.35542
   58    56 S   HC   _H12    54     1.09651   108.18817   -59.76612
   59    56 S   CT   _C9_    55     1.53687   112.32266   178.94057
   60    59 S   HC   _H3_    56     1.09679   110.17517    36.55807
   61    59 S   CO4  _C17    57     1.53683   110.61015   -82.19864
   62    61 S   O    _O34    58     1.23119   121.62477    69.88475
   63    61 S   CT   _C16    59     1.52285   117.71291  -107.54716
   64    63 S   HC   _H19    60     1.09521   107.08335    70.05775
   65    63 S   HC   _H20    61     1.09546   109.26787  -174.47533
   66    63 S   CT   _C15    62     1.53617   113.41578   -51.64109
   67    66 S   HC   _H17    63     1.09726   108.41231   147.62798
   68    66 S   HC   _H18    64     1.09751   109.12684   -98.27263
   69    66 S   CT   _C14    65     1.53201   112.73114    24.44700
   70    69 S   CO4  _C13    66     1.51958   115.86074   142.46953
   71    70 S   O    _O33    67     1.22455   124.51309    43.63458
   72    69 S   CT   _C18    76     1.53982   110.70066   -95.72671
   73    72 S   HC   _H21    77     1.09413   112.34678    55.55384
   74    72 S   HC   _H22    78     1.09690   110.39505   -64.01916
   75    72 S   HC   _H23    79     1.09498   112.32573   177.30100
   76    70 S   CT   _C12    68     1.51610   111.72112  -138.27520
   77    76 S   HC   _H15    69     1.09308   109.02101   115.33114
   78    76 S   HC   _H16    70     1.09215   111.01065  -122.40826
   79    76 S   CT   _C11    71     1.53210   103.02309    -2.90158
   80    79 S   HC   _H13    72     1.09423   111.06145   148.51738
   81    79 S   HC   _H14    73     1.09562   110.74153   -92.02530
   82    59 S   CT   _C10    74     1.53348   111.63845   157.93312
   83    82 S   HC   _H4_    75     1.10294   108.08568    47.23260
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  10   4  11   5  12   5   4   2   1   1   4
   2   1   1   1   9   5   4  11   5   4  16   7  11   5   9   5
   4  13   5   4  14  13   6   7   3   2   1   7   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    48    51    40    42    43    53    44    45    46    47  
   38    39    41    40    42    44  
   36    37  
   37  
    0  
   39    41    48    49    50    51    52    40    42    44  
   41    48    51    40  
   42    43    53    54    55    56    44    45    46    47    41  
   48    49    50    51    52  
   43    53    54    55    56    57    58    59    44    45    46    47  
   53    54    55    56    44  
   45    46    47    53  
   46    47  
   47  
    0  
   49    50    51    52  
   50    51  
   51  
   52  
    0  
   54    55    56    57    58    59    60    61    82  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    63    69    79    82    83  
   58    59    60    61    82  
   59    60    61    82  
   60    61    62    63    64    65    66    69    70    76    79    80    81    82    83    72  
   61    62    63    69    79    82    83  
   62    63    64    65    66    67    68    69    79    82    83  
   63    64    65    66    82  
   64    65    66    67    68    69    70    82    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    76    79    82    83    72    73    74    75  
   68    69    70    82    72  
   69    70    82    72  
   70    71    76    77    78    79    80    81    82    83    72    73    74    75  
   71    76    77    78    79    80    81    82    83    72    73    74    75  
   76    77    78    79    82    72  
   73    74    75    76    79    82    83  
   74    75    82  
   75    82  
   82  
   77    78    79    80    81    82    83  
   78    79    80    81    82  
   79    80    81    82  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    48   230.000  1.545
   41    51   510.000  1.338
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
   40    42   465.000  1.376
   40    44   317.000  1.510
   42    43   745.000  1.250
   42    53   270.000  1.512
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   317.000  1.522
   59    82   268.000  1.529
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   317.000  1.522
   69    82   268.000  1.529
   69    72   268.000  1.529
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    42    70.00000  124.00000
   33    40    44    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    48    55.00000  124.75400
   38    41    51    80.00000  121.38400
   41    38    39    35.00000  120.00000
   41    48    49    85.00000  113.83300
   41    48    50    85.00000  113.83300
   41    51    52    70.00000  107.45700
   50    48    49    80.00000  126.00000
   51    41    48    80.00000  119.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    42    43    65.00000  137.10300
   40    42    53    65.00000  122.18000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   42    53    54    45.00000  110.52000
   42    53    55    45.00000  110.52000
   42    53    56    70.00000  112.02700
   53    42    43    85.00000  112.85300
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    63.00000  111.10000
   56    59    82    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    80.00000  120.40000
   59    61    63    70.00000  116.00000
   59    82    69    58.35000  112.70000
   59    82    79    58.35000  112.70000
   59    82    83    37.50000  110.70000
   61    59    60    35.00000  109.50000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    63.00000  111.10000
   63    61    62    80.00000  120.40000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    63.00000  111.10000
   66    69    82    58.35000  112.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    70    71    80.00000  120.40000
   69    70    76    70.00000  116.00000
   69    82    79    58.35000  112.70000
   69    82    83    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    63.00000  111.10000
   76    70    71    80.00000  120.40000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    59    60    37.50000  110.70000
   82    59    61    63.00000  111.10000
   82    69    70    63.00000  111.10000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   72    69    70    63.00000  111.10000
   72    69    82    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   44    40    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    44   0.30250  1.0 1.0
   29    33    40    44  -0.14950 -1.0 2.0
   29    33    40    44   0.36900  1.0 3.0
   33    38    41    48   7.00000 -1.0 2.0
   33    38    41    51   7.00000 -1.0 2.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    53   7.00000 -1.0 2.0
   33    40    44    45   0.34800  1.0 3.0
   33    40    44    46   0.34800  1.0 3.0
   33    40    44    47   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    44   0.34800  1.0 3.0
   38    33    40    42  -0.28300  1.0 1.0
   38    33    40    42   0.26700 -1.0 2.0
   38    33    40    42  -0.63300  1.0 3.0
   38    33    40    44   0.09700  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44  -0.50800  1.0 3.0
   38    41    48    49  -0.04000 -1.0 2.0
   38    41    48    49  -0.29050  1.0 3.0
   38    41    48    50  -0.04000 -1.0 2.0
   38    41    48    50  -0.29050  1.0 3.0
   38    41    51    52  -0.66100  1.0 1.0
   38    41    51    52   1.20850 -1.0 2.0
   38    41    51    52  -0.36000  1.0 3.0
   39    38    41    48   7.00000 -1.0 2.0
   39    38    41    51   7.00000 -1.0 2.0
   48    41    51    52   2.00000 -1.0 2.0
   51    41    48    49   1.68800 -1.0 2.0
   51    41    48    50   1.68800 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    42    53    54   0.00000  1.0 1.0
   40    42    53    55   0.00000  1.0 1.0
   40    42    53    56   0.09850  1.0 1.0
   40    42    53    56   0.15250 -1.0 2.0
   40    42    53    56  -0.50650  1.0 3.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    46   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    53    56    57   0.15000  1.0 3.0
   42    53    56    58   0.15000  1.0 3.0
   42    53    56    59   0.34400  1.0 1.0
   42    53    56    59   0.09450 -1.0 2.0
   42    53    56    59   0.11100  1.0 3.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    55   0.00000  1.0 1.0
   43    42    53    56   0.09700  1.0 1.0
   43    42    53    56   0.15600 -1.0 2.0
   43    42    53    56  -0.50800  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61  -0.95700  1.0 1.0
   53    56    59    61  -0.18200 -1.0 2.0
   53    56    59    61   0.29450  1.0 3.0
   53    56    59    82   0.56750  1.0 1.0
   53    56    59    82  -0.07550 -1.0 2.0
   53    56    59    82   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   0.30150 -1.0 2.0
   56    59    61    63   0.60050  1.0 1.0
   56    59    61    63   0.05600 -1.0 2.0
   56    59    61    63   0.26150  1.0 3.0
   56    59    82    69   0.56750  1.0 1.0
   56    59    82    69  -0.07550 -1.0 2.0
   56    59    82    69   0.20000  1.0 3.0
   56    59    82    79   0.56750  1.0 1.0
   56    59    82    79  -0.07550 -1.0 2.0
   56    59    82    79   0.20000  1.0 3.0
   56    59    82    83   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61  -0.11250  1.0 3.0
   57    56    59    82   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61  -0.11250  1.0 3.0
   58    56    59    82   0.15000  1.0 3.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   0.00000  1.0 1.0
   59    61    63    66   0.60050  1.0 1.0
   59    61    63    66   0.05600 -1.0 2.0
   59    61    63    66   0.26150  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    82    69   0.15000  1.0 3.0
   60    59    82    79   0.15000  1.0 3.0
   60    59    82    83   0.15000  1.0 3.0
   61    59    82    69  -0.95700  1.0 1.0
   61    59    82    69  -0.18200 -1.0 2.0
   61    59    82    69   0.29450  1.0 3.0
   61    59    82    79  -0.95700  1.0 1.0
   61    59    82    79  -0.18200 -1.0 2.0
   61    59    82    79   0.29450  1.0 3.0
   61    59    82    83  -0.11250  1.0 3.0
   61    63    66    67  -0.11250  1.0 3.0
   61    63    66    68  -0.11250  1.0 3.0
   61    63   -66    69  -0.95700  1.0 1.0
   61    63   -66    69  -0.18200 -1.0 2.0
   61    63   -66    69   0.29450  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    69    70  -0.95700  1.0 1.0
   63    66    69    70  -0.18200 -1.0 2.0
   63    66    69    70   0.29450  1.0 3.0
   63    66    69    82   0.56750  1.0 1.0
   63    66    69    82  -0.07550 -1.0 2.0
   63    66    69    82   0.20000  1.0 3.0
   63    66    69    72   0.56750  1.0 1.0
   63    66    69    72  -0.07550 -1.0 2.0
   63    66    69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71   0.30150 -1.0 2.0
   66    69    70    76   0.60050  1.0 1.0
   66    69    70    76   0.05600 -1.0 2.0
   66    69    70    76   0.26150  1.0 3.0
   66    69   -82    59   0.56750  1.0 1.0
   66    69   -82    59  -0.07550 -1.0 2.0
   66    69   -82    59   0.20000  1.0 3.0
   66    69    82    79   0.56750  1.0 1.0
   66    69    82    79  -0.07550 -1.0 2.0
   66    69    82    79   0.20000  1.0 3.0
   66    69    82    83   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.15000  1.0 3.0
   67    66    69    70  -0.11250  1.0 3.0
   67    66    69    82   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70  -0.11250  1.0 3.0
   68    66    69    82   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    70    76    77   0.00000  1.0 1.0
   69    70    76    78   0.00000  1.0 1.0
   69    70   -76    79   0.60050  1.0 1.0
   69    70   -76    79   0.05600 -1.0 2.0
   69    70   -76    79   0.26150  1.0 3.0
   70    69    82    59  -0.95700  1.0 1.0
   70    69    82    59  -0.18200 -1.0 2.0
   70    69    82    59   0.29450  1.0 3.0
   70    69   -82    79  -0.95700  1.0 1.0
   70    69   -82    79  -0.18200 -1.0 2.0
   70    69   -82    79   0.29450  1.0 3.0
   70    69    82    83  -0.11250  1.0 3.0
   70    69    72    73  -0.11250  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    75  -0.11250  1.0 3.0
   70    76    79    80  -0.11250  1.0 3.0
   70    76    79    81  -0.11250  1.0 3.0
   70    76   -79    82  -0.95700  1.0 1.0
   70    76   -79    82  -0.18200 -1.0 2.0
   70    76   -79    82   0.29450  1.0 3.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.30150 -1.0 2.0
   76    79    82    59   0.56750  1.0 1.0
   76    79    82    59  -0.07550 -1.0 2.0
   76    79    82    59   0.20000  1.0 3.0
   76    79   -82    69   0.56750  1.0 1.0
   76    79   -82    69  -0.07550 -1.0 2.0
   76    79   -82    69   0.20000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   80    79    82    59   0.15000  1.0 3.0
   80    79    82    69   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   81    79    82    59   0.15000  1.0 3.0
   81    79    82    69   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   82    59    61    62   0.30150 -1.0 2.0
   82    59   -61    63   0.60050  1.0 1.0
   82    59   -61    63   0.05600 -1.0 2.0
   82    59   -61    63   0.26150  1.0 3.0
   82    69    70    71   0.30150 -1.0 2.0
   82    69   -70    76   0.60050  1.0 1.0
   82    69   -70    76   0.05600 -1.0 2.0
   82    69   -70    76   0.26150  1.0 3.0
   82    69    72    73   0.15000  1.0 3.0
   82    69    72    74   0.15000  1.0 3.0
   82    69    72    75   0.15000  1.0 3.0
   72    69    70    71   0.30150 -1.0 2.0
   72    69    70    76   0.60050  1.0 1.0
   72    69    70    76   0.05600 -1.0 2.0
   72    69    70    76   0.26150  1.0 3.0
   72    69    82    59   0.56750  1.0 1.0
   72    69    82    59  -0.07550 -1.0 2.0
   72    69    82    59   0.20000  1.0 3.0
   72    69    82    79   0.56750  1.0 1.0
   72    69    82    79  -0.07550 -1.0 2.0
   72    69    82    79   0.20000  1.0 3.0
   72    69    82    83   0.15000  1.0 3.0
   44    40    42    43   7.00000 -1.0 2.0
   44    40    42    53   7.00000 -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
   33    39    38    41  15.00000 -1.0 2.0
   48    51    41    38  15.00000 -1.0 2.0
   49    41    48    50  10.50000 -1.0 2.0
   33    44    40    42  15.00000 -1.0 2.0
   53    43    42    40  15.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   69    76    70    71  10.50000 -1.0 2.0
END
