* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    148    246     445
    1     0 S   NP   _N1_     1    28.46923    94.60864   -23.50341
    2     1 S   H    _HN1     2     1.02947    84.61141    -1.79548
    3     1 S   H    _H1_     3     1.02825    25.30351   151.03880
    4     1 S   H    _H2_     4     1.02793   105.32336  -109.41245
    5     1 S   CT   _CA1     5     1.50125   131.45447   110.78344
    6     5 S   HC   _HA1     6     1.09577   105.13741    76.40633
    7     5 S   CO3  _C1_     7     1.53754   112.50995   -43.72563
    8     7 S   O2Z  _O11     8     1.26375   114.99272   -41.58571
    9     7 S   O2Z  _O12     9     1.26238   114.92981   137.35194
   10     5 S   CT   _CB1    10     1.53046   107.39747  -165.67372
   11    10 S   HC   HB11    11     1.09841   109.25255   -49.76950
   12    10 S   HC   HB12    12     1.09808   110.50936    66.81752
   13    10 S   CT   _CG1    13     1.52995   112.63864  -170.73151
   14    13 S   HC   HG11    14     1.09573   110.70773   -68.84744
   15    13 S   HC   HG12    15     1.09674   109.71034    50.37609
   16    13 S   C    _CD1    16     1.51807   111.99355   170.85834
   17    16 S   O    _OE1    17     1.22749   123.21914    13.28628
   18    16 S   N    _N2_    18     1.38571   111.74393  -166.62487
   19    18 S   H    _HN2    19     1.01569   118.97025     0.26393
   20    18 S   CT1  _CA2    20     1.46180   123.60851   177.07109
   21    20 S   HC   _HA2    21     1.09727   109.22762     9.67707
   22    20 S   C    _C2_    22     1.53741   109.32838  -106.10103
   23    22 S   O    _O2_    23     1.23107   122.11125  -152.37932
   24    20 S   CT   _CB2    32     1.53352   111.31340   131.68551
   25    24 S   HC   HB21    33     1.09406   109.51769    57.80001
   26    24 S   HC   HB22    34     1.09477   109.94218   176.24412
   27    22 S   N    _N3_    24     1.38267   114.07736    35.09473
   28    27 S   H    _HN3    25     1.01520   119.58390    -3.43393
   29    24 S   S    _SG2    35     1.83069   111.29209   -64.60998
   30    27 S   CT   _CA3    26     1.45274   123.33839   177.30427
   31    30 S   HC   HA31    27     1.09545   107.52885   -64.64609
   32    30 S   HC   HA32    28     1.09555   107.99094    51.82660
   33    29 S   CT   _C20    36     1.87009   101.70845   155.38046
   34    33 S   OM   _O38    37     1.32508   107.51964   179.21665
   35    30 S   CO3  _C3_    29     1.52984   114.00082   173.81369
   36    35 S   O2Z  _O31    30     1.26393   116.07391    -0.24549
   37    35 S   O2Z  _O32    31     1.26423   114.43145   179.80119
   38    33 S   CM   _C21    38     1.53741   110.43509   -64.12833
   39    33 S   CT   _C19    70     1.57557   109.22519    60.93771
   40    39 S   HC   _H4_    71     1.09486   108.48536   -45.62355
   41    38 S   CMA  _C23    39     1.36511   125.33872   133.38242
   42    41 S   OM   _O37    40     1.26969   130.06764   176.13178
   43    39 S   NT   _N5_    72     1.47642   113.49011    70.73850
   44    43 S   H    _H16    73     1.01949   108.40136   -41.26789
   45    43 S   H    _H17    74     1.01799   109.65497  -157.38916
   46    38 S   C    _C22    77     1.51732   117.68481   -47.74768
   47    46 S   O    _O36    78     1.22717   122.96713   -55.32150
   48    41 S   CT   _C16    41     1.55567   118.80413    -2.85252
   49    46 S   N    _N4_    79     1.37670   113.94119   122.37806
   50    49 S   H    _H14    80     1.01443   121.52401     5.81298
   51    49 S   H    _H15    81     1.01298   120.42750  -179.87646
   52    48 S   CO4  _C15    42     1.54635   110.26768   -98.24543
   53    52 S   O    _O35    43     1.23051   122.24306   -18.97016
   54    48 S   OH   _O39    75     1.43790   111.09263   145.68032
   55    54 S   HO   _H18    76     0.97467   106.00639    33.86505
   56    52 S   CA   _C7_    44     1.50410   119.10857   161.82734
   57    56 S   CA   _C6_    45     1.39681   120.03857    -7.44181
   58    57 S   CA   _C5_    46     1.42730   119.45510   177.62298
   59    57 S   CT   _C18    65     1.51374   120.30191    -0.09487
   60    59 S   HC   _H12    66     1.09827   107.48354    98.42401
   61    59 S   HC   _H13    67     1.09504   110.40960  -146.01227
   62    58 S   CA   _C10    47     1.45103   121.80503     9.06544
   63    58 S   CT   _C4_    61     1.51783   117.38694  -169.14696
   64    63 S   HC   _H5_    62     1.09347   110.64956   -97.48698
   65    63 S   HC   _H6_    63     1.09385   112.71007    23.67145
   66    63 S   HC   _H7_    64     1.09375   110.74250   138.35395
   67    48 S   CT   _C17    68     1.53818   113.41169    24.63947
   68    67 S   HC   _H3_    69     1.10059   108.76797    65.07737
   69    62 S   CA   _C9_    48     1.42829   117.11695   -10.36794
   70    69 S   CA   _C14    49     1.43030   118.63020  -174.97235
   71    56 S   CA   _C8_    58     1.40758   120.96911   172.63878
   72    70 S   CA   _C13    50     1.39058   123.03501    -2.04574
   73    72 S   HA   _H9_    51     1.08593   121.44721  -179.79252
   74    70 S   OH   _O33    56     1.37614   120.46418   178.04275
   75    74 S   HO   _H10    57     0.97158   109.69867   179.63846
   76    71 S   OH   _O34    59     1.37883   119.99929    -1.87001
   77    76 S   HO   _H11    60     0.97225   110.12229     2.28927
   78    72 S   CA   _C12    52     1.37622   119.01260    -1.58387
   79    78 S   HA   _H8_    53     1.08775   118.81784  -177.10376
   80    62 S   CA   _C11    54     1.44447   126.75015   169.55969
   81    80 S   Cl   Cl1_    55     1.74027   124.25436    -9.98917
  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   9   5   4   3
  16   7   2   1   1  14  15   7  13   5   6   2   1   5   3  12
   2   1   1  12   5   5   1  13  15  15   7   3   2  14   5   2
   1   1   1   1  11   9   5   7   4   2   1   1   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    59    67    68    39    40    43    44    45    46    47    49  
   38    41    67    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    52    67    39    40    43    54    46    47    49    50    51  
   40    43    44    45    54    46    41    48    52    57    59    60    61    67    68  
   43    44    45    48    59    67    68  
   42    48    52    53    56    59    67    68    54    55    46    47    49  
   48    52    67    54    46  
   44    45    48    59    67    68  
   45    67  
   67  
   47    49    50    51    48  
   49    50    51  
   52    53    56    57    71    59    60    61    67    68    54    55  
   50    51  
   51  
    0  
   53    56    57    58    69    71    76    59    67    68    54    55  
   56    57    71    67    54  
   55    56    59    67    68  
   67  
   57    58    62    69    70    71    76    77    63    59    60    61    67  
   58    62    69    80    71    76    63    64    65    66    59    60    61    67    68  
   62    69    70    78    80    81    71    63    64    65    66    59    60    61    67  
   60    61    67    68    62    63    71  
   61    67    68  
   67    68  
   69    70    72    78    79    80    81    74    71    76    63    64    65    66  
   64    65    66    69    80  
   65    66  
   66  
    0  
   68  
    0  
   70    72    73    78    80    81    74    75    71    76    77  
   72    73    78    79    80    74    75    71    76  
   76    77    72    74    80  
   73    78    79    80    81    74    75  
   78    79    80    74  
   75    78  
    0  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    46   410.000  1.444
   41    42   745.000  1.250
   41    48   270.000  1.512
   48    52   317.000  1.522
   48    67   268.000  1.529
   48    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    71   469.000  1.400
   57    58   469.000  1.400
   57    59   317.000  1.510
   58    62   469.000  1.400
   58    63   317.000  1.510
   62    69   469.000  1.400
   62    80   469.000  1.400
   69    70   469.000  1.400
   69    71   469.000  1.400
   70    72   469.000  1.400
   70    74   450.000  1.364
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   300.000  1.725
   74    75   553.000  0.945
   71    76   450.000  1.364
   76    77   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    44   434.000  1.010
   43    45   434.000  1.010
   54    55   553.000  0.945
   46    47   570.000  1.229
   46    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    46    70.00000  119.70000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    48    65.00000  122.18000
   38    46    47    80.00000  125.30000
   38    46    49    80.00000  111.56200
   41    48    52    70.00000  109.06800
   41    48    67    70.00000  112.02700
   41    48    54    90.00000  110.39200
   48    41    42    85.00000  112.85300
   48    52    53    80.00000  120.40000
   48    52    56    65.00000  115.47100
   48    67    59    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    67    39    58.35000  112.70000
   48    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    71    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    58    63.00000  120.00000
   56    57    59    70.00000  120.00000
   56    71    69    63.00000  120.00000
   56    71    76    70.00000  120.00000
   57    58    62    63.00000  120.00000
   57    58    63    70.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    67    70.00000  112.17500
   58    62    69    63.00000  120.00000
   58    62    80    63.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   62    69    70    63.00000  120.00000
   62    69    71    63.00000  120.00000
   62    80    78    63.00000  120.00000
   62    80    81    75.00000  120.00000
   69    70    72    63.00000  120.00000
   69    70    74    70.00000  120.00000
   69    71    76    70.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    78    63.00000  120.00000
   70    74    75    35.00000  113.00000
   72    78    79    35.00000  120.00000
   72    78    80    63.00000  120.00000
   78    72    73    35.00000  120.00000
   78    80    81    75.00000  120.00000
   80    62    69    63.00000  120.00000
   80    78    79    35.00000  120.00000
   74    70    72    70.00000  120.00000
   71    56    57    63.00000  120.00000
   71    69    70    63.00000  120.00000
   71    76    77    35.00000  113.00000
   63    58    62    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    57    58    70.00000  120.00000
   59    67    68    37.50000  110.70000
   59    67    39    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    48    52    63.00000  111.10000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    43.60000  106.40000
   54    48    52    90.00000  109.61100
   54    48    67    50.00000  109.50000
   46    38    41    60.00000  120.04000
   46    49    50    35.00000  119.80000
   46    49    51    35.00000  119.80000
   49    46    47    80.00000  122.90000
   51    49    50    35.00000  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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    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    38    46   0.09700  1.0 1.0
   29    33    38    46   0.15600 -1.0 2.0
   29    33    38    46  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   33    38    46    47  -0.64400  1.0 1.0
   33    38    46    47   0.26850 -1.0 2.0
   33    38    46    49   1.59650  1.0 1.0
   33    38    46    49   0.42750 -1.0 2.0
   33    38    46    49  -0.48350  1.0 3.0
   33    39    43    44  -0.05950  1.0 1.0
   33    39    43    44   0.08850 -1.0 2.0
   33    39    43    44   0.11750  1.0 3.0
   33    39    43    45  -0.05950  1.0 1.0
   33    39    43    45   0.08850 -1.0 2.0
   33    39    43    45   0.11750  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    46   0.09700  1.0 1.0
   34    33    38    46   0.15600 -1.0 2.0
   34    33    38    46  -0.50800  1.0 3.0
   34    33    39    67   0.62750  1.0 1.0
   34    33    39    67  -0.30950 -1.0 2.0
   34    33    39    67   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.74050  1.0 1.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.59950  1.0 1.0
   38    33    39    43  -0.21400 -1.0 2.0
   38    33    39    43   0.56200  1.0 3.0
   38    41    48    52  -0.51250  1.0 1.0
   38    41    48    52  -0.88800 -1.0 2.0
   38    41    48    52   0.08850  1.0 3.0
   38    41   -48    67   0.09850  1.0 1.0
   38    41   -48    67   0.15250 -1.0 2.0
   38    41   -48    67  -0.50650  1.0 3.0
   38    41    48    54   0.67800  1.0 1.0
   38    41    48    54   0.47050 -1.0 2.0
   38    41    48    54  -0.62500  1.0 3.0
   38    46    49    50   2.56700 -1.0 2.0
   38    46    49    51   2.56700 -1.0 2.0
   41    38    46    47   1.00000 -1.0 2.0
   41    38    46    49   0.49500  1.0 1.0
   41    38    46    49   1.31600 -1.0 2.0
   41    38    46    49  -0.02300  1.0 3.0
   41    48    52    53   0.30150 -1.0 2.0
   41    48    52    56   0.65300  1.0 1.0
   41    48    52    56  -0.03850 -1.0 2.0
   41    48    52    56   0.33900  1.0 3.0
   41    48    67    59   0.34400  1.0 1.0
   41    48    67    59   0.09450 -1.0 2.0
   41    48    67    59   0.11100  1.0 3.0
   41    48    67    68   0.15000  1.0 3.0
   41    48    67    39   0.34400  1.0 1.0
   41    48    67    39   0.09450 -1.0 2.0
   41    48    67    39   0.11100  1.0 3.0
   41    48    54    55  -0.07800  1.0 1.0
   41    48    54    55  -0.21500 -1.0 2.0
   41    48    54    55  -0.03150  1.0 3.0
   42    41    48    52   0.09700  1.0 1.0
   42    41    48    52   0.15600 -1.0 2.0
   42    41    48    52  -0.50800  1.0 3.0
   42    41    48    67   0.09700  1.0 1.0
   42    41    48    67   0.15600 -1.0 2.0
   42    41    48    67  -0.50800  1.0 3.0
   42    41    48    54   0.09700  1.0 1.0
   42    41    48    54   0.15600 -1.0 2.0
   42    41    48    54  -0.50800  1.0 3.0
   48    52    56    57   2.26350  1.0 1.0
   48    52    56    57   0.76750 -1.0 2.0
   48    52    56    57   0.22500  1.0 3.0
   48    52    56    71   2.26350  1.0 1.0
   48    52    56    71   0.76750 -1.0 2.0
   48    52    56    71   0.22500  1.0 3.0
   48    67   -39    33   0.56750  1.0 1.0
   48    67   -39    33  -0.07550 -1.0 2.0
   48    67   -39    33   0.20000  1.0 3.0
   48    67    39    40   0.15000  1.0 3.0
   48    67    39    43   1.85550  1.0 1.0
   48    67    39    43  -0.84100 -1.0 2.0
   52    48    67    59  -0.95700  1.0 1.0
   52    48    67    59  -0.18200 -1.0 2.0
   52    48    67    59   0.29450  1.0 3.0
   52    48    67    68  -0.11250  1.0 3.0
   52    48    67    39  -0.95700  1.0 1.0
   52    48    67    39  -0.18200 -1.0 2.0
   52    48    67    39   0.29450  1.0 3.0
   52    48    54    55   0.91850  1.0 1.0
   52    48    54    55   0.57950  1.0 3.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56   -57    59   3.62500 -1.0 2.0
   52    56    71    69   3.62500 -1.0 2.0
   52    56    71    76   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    71   1.05000 -1.0 2.0
   56    57    58    62   3.62500 -1.0 2.0
   56    57    58    63   3.62500 -1.0 2.0
   56    57    59    60   0.00000  1.0 1.0
   56    57    59    61   0.00000  1.0 1.0
   56    57    59    67   0.04150 -1.0 2.0
   56    71    76    77   0.84100 -1.0 2.0
   57    56    71    69   3.62500 -1.0 2.0
   57    56    71    76   3.62500 -1.0 2.0
   57    58   -62    69   3.62500 -1.0 2.0
   57    58    62    80   3.62500 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    66   0.00000  1.0 1.0
   57    59   -67    48  -0.03700  1.0 1.0
   57    59   -67    48   0.37200 -1.0 2.0
   57    59   -67    48  -0.47300  1.0 3.0
   57    59    67    68   0.43200  1.0 3.0
   57    59    67    39  -0.03700  1.0 1.0
   57    59    67    39   0.37200 -1.0 2.0
   57    59    67    39  -0.47300  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    67   0.04150 -1.0 2.0
   58    62    69    70   3.62500 -1.0 2.0
   58    62    69    71   3.62500 -1.0 2.0
   58    62    80    78   3.62500 -1.0 2.0
   58    62    80    81   3.62500 -1.0 2.0
   62    58    63    64   0.00000  1.0 1.0
   62    58    63    65   0.00000  1.0 1.0
   62    58    63    66   0.00000  1.0 1.0
   62    69    70    72   3.62500 -1.0 2.0
   62    69    70    74   3.62500 -1.0 2.0
   62    69   -71    56   3.62500 -1.0 2.0
   62    69    71    76   3.62500 -1.0 2.0
   69    62    80    78   3.62500 -1.0 2.0
   69    62    80    81   3.62500 -1.0 2.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70   -72    78   3.62500 -1.0 2.0
   69    70    74    75   0.84100 -1.0 2.0
   69    71    76    77   0.84100 -1.0 2.0
   70    69    71    56   3.62500 -1.0 2.0
   70    69    71    76   3.62500 -1.0 2.0
   70    72    78    79   3.62500 -1.0 2.0
   70    72    78    80   3.62500 -1.0 2.0
   72    70    74    75   0.84100 -1.0 2.0
   72    78   -80    62   3.62500 -1.0 2.0
   72    78    80    81   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   79    78    80    62   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    62   -69    70   3.62500 -1.0 2.0
   80    62    69    71   3.62500 -1.0 2.0
   74    70    72    73   3.62500 -1.0 2.0
   74    70    72    78   3.62500 -1.0 2.0
   71    56   -57    58   3.62500 -1.0 2.0
   71    56    57    59   3.62500 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69    70    74   3.62500 -1.0 2.0
   63    58    62    69   3.62500 -1.0 2.0
   63    58    62    80   3.62500 -1.0 2.0
   59    57    58    62   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   59    67    39    33   0.56750  1.0 1.0
   59    67    39    33  -0.07550 -1.0 2.0
   59    67    39    33   0.20000  1.0 3.0
   59    67    39    40   0.15000  1.0 3.0
   59    67    39    43   1.85550  1.0 1.0
   59    67    39    43  -0.84100 -1.0 2.0
   60    59    67    48   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    39   0.15000  1.0 3.0
   61    59    67    48   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    39   0.15000  1.0 3.0
   67    48    52    53   0.30150 -1.0 2.0
   67    48   -52    56   0.05850 -1.0 2.0
   67    48   -52    56   0.17250  1.0 3.0
   67    48    54    55  -0.11600  1.0 1.0
   67    48    54    55  -0.09450 -1.0 2.0
   67    48    54    55   0.21250  1.0 3.0
   67    39    43    44  -0.05950  1.0 1.0
   67    39    43    44   0.08850 -1.0 2.0
   67    39    43    44   0.11750  1.0 3.0
   67    39    43    45  -0.05950  1.0 1.0
   67    39    43    45   0.08850 -1.0 2.0
   67    39    43    45   0.11750  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    46   0.09700  1.0 1.0
   39    33    38    46   0.15600 -1.0 2.0
   39    33    38    46  -0.50800  1.0 3.0
   40    39    43    44   0.20000  1.0 3.0
   40    39    43    45   0.20000  1.0 3.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    56   0.65300  1.0 1.0
   54    48    52    56  -0.03850 -1.0 2.0
   54    48    52    56   0.33900  1.0 3.0
   54    48    67    59   0.86500  1.0 1.0
   54    48    67    59  -0.17500 -1.0 2.0
   54    48    67    59   0.20800  1.0 3.0
   54    48    67    68   0.23400  1.0 3.0
   54    48    67    39   0.86500  1.0 1.0
   54    48    67    39  -0.17500 -1.0 2.0
   54    48    67    39   0.20800  1.0 3.0
   46    38    41    42   7.00000 -1.0 2.0
   46    38    41    48   7.00000 -1.0 2.0
   47    46    49    50   2.45000 -1.0 2.0
   47    46    49    51   2.45000 -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    46    38    41   1.10000 -1.0 2.0
   48    42    41    38   1.10000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   57    71    56    52   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   62    63    58    57   4.00000 -1.0 2.0
   69    80    62    58   4.00000 -1.0 2.0
   70    71    69    62   4.00000 -1.0 2.0
   72    74    70    69   4.00000 -1.0 2.0
   78    73    72    70   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   78    81    80    62   4.00000 -1.0 2.0
   69    76    71    56   4.00000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
   51    46    49    50   1.00000 -1.0 2.0
END
