* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    151    245     454
    1     0 S   NP   _N1_     1    29.19383    92.80248   -24.08116
    2     1 S   H    _HN1     2     1.02839    21.19127  -166.08278
    3     1 S   H    _H1_     3     1.02777   109.85899   -77.71482
    4     1 S   H    _H2_     4     1.02958    86.75737    30.62184
    5     1 S   CT   _CA1     5     1.50120   125.50357   143.48501
    6     5 S   HC   _HA1     6     1.09576   105.22539    76.44572
    7     5 S   CO3  _C1_     7     1.53774   112.36411   -43.75070
    8     7 S   O2Z  _O11     8     1.26359   114.99037   -44.52712
    9     7 S   O2Z  _O12     9     1.26237   114.91608   134.62316
   10     5 S   CT   _CB1    10     1.53101   107.44291  -165.67092
   11    10 S   HC   HB11    11     1.09830   109.30958   -50.98278
   12    10 S   HC   HB12    12     1.09819   110.44150    65.55333
   13    10 S   CT   _CG1    13     1.53034   112.67369  -172.08500
   14    13 S   HC   HG11    14     1.09592   110.47604   -64.50336
   15    13 S   HC   HG12    15     1.09654   109.95534    54.73974
   16    13 S   C    _CD1    16     1.51801   112.27280   175.07678
   17    16 S   O    _OE1    17     1.22753   123.19576    -0.04846
   18    16 S   N    _N2_    18     1.38704   111.69935  -179.98022
   19    18 S   H    _HN2    19     1.01600   119.08842    -0.08847
   20    18 S   CT1  _CA2    20     1.45965   123.13117   179.21142
   21    20 S   HC   _HA2    21     1.09326   108.80136   -15.47102
   22    20 S   C    _C2_    22     1.53179   108.35480  -129.30087
   23    22 S   O    _O2_    23     1.22949   122.52343  -139.77310
   24    20 S   CT   _CB2    32     1.53416   112.22174   107.00591
   25    24 S   HC   HB21    33     1.09641   109.59651    57.45261
   26    24 S   HC   HB22    34     1.09498   110.91852   174.75880
   27    22 S   N    _N3_    24     1.38635   112.78605    48.04332
   28    27 S   H    _HN3    25     1.01529   118.88148    -1.90423
   29    24 S   S    _SG2    35     1.83395   114.54938   -62.36448
   30    27 S   CT   _CA3    26     1.45393   123.19811   171.86303
   31    30 S   HC   HA31    27     1.09536   108.88009    30.90971
   32    30 S   HC   HA32    28     1.09472   107.19320   148.08195
   33    29 S   CT   _C10    36     1.83525   100.40704   -67.75589
   34    33 S   HC   _H7_    37     1.08895   105.13083    46.21471
   35    30 S   CO3  _C3_    29     1.53123   113.55969   -92.03297
   36    35 S   O2Z  _O31    30     1.26433   115.85913   -31.46785
   37    35 S   O2Z  _O32    31     1.26390   114.69808   149.31689
   38    33 S   CT   _C9_    38     1.54368   112.96027   -73.64702
   39    38 S   HC   _H6_    39     1.09482   115.48382    13.12004
   40    33 S   CT   _C11    50     1.54785   115.98347   164.76163
   41    40 S   HC   _H8_    51     1.09575   110.83293  -108.03115
   42    38 S   CT   _C8_    40     1.54251   112.33598   140.80596
   43    42 S   HC   _H15    41     1.09775   108.39528   175.59816
   44    42 S   HC   _H16    42     1.09701   109.02481   -68.20531
   45    40 S   OH   _O33    52     1.42373   112.95602    11.90062
   46    45 S   HO   _H17    53     0.97269   107.79929  -174.89850
   47    42 S   CT   _C7_    43     1.54170   113.53993    54.83047
   48    47 S   HC   _H5_    44     1.09693   108.33128   158.42288
   49    47 S   CT   _C6_    45     1.54105   113.26843    36.14770
   50    49 S   HC   _H13    46     1.09621   110.38683  -157.82062
   51    49 S   HC   _H14    47     1.09795   108.05284    85.63443
   52    47 S   OS   _O34    60     1.44515   107.18748   -84.91055
   53    49 S   CT   _C5_    48     1.54107   114.53223   -34.59563
   54    53 S   HC   _H4_    49     1.09524   111.03878   172.04248
   55    52 S   CO4  _C12    61     1.36442   118.62789  -150.69895
   56    55 S   O    _O35    62     1.22334   125.36651    -1.96891
   57    38 S   NP   _N4_    54     1.51877   104.32190  -105.78403
   58    57 S   H    _H3_    55     1.02957   109.43807  -156.43605
   59    55 S   CT   _C13    63     1.52444   109.09133   177.41972
   60    59 S   HC   _H9_    64     1.09926   106.67554    36.96854
   61    57 S   CT   _C4_    56     1.49970   115.38231    85.54818
   62    61 S   HC   _H10    57     1.08969   110.42381   -58.34606
   63    61 S   HC   _H11    58     1.09308   107.56797    62.35466
   64    61 S   HC   _H12    59     1.09296   107.65987  -179.31300
   65    59 S   CA   _C15    65     1.51937   111.25583   154.00323
   66    59 S   CT   _C14    76     1.53481   109.77427   -80.22366
   67    66 S   HC   _H18    77     1.09534   111.95999   -44.19205
   68    66 S   HC   _H19    78     1.09558   110.96946  -165.97237
   69    65 S   CA   _C16    66     1.40412   119.46463   -99.53238
   70    69 S   HA   _H21    67     1.08755   120.42533    -0.78534
   71    66 S   OH   _O36    79     1.42364   109.51338    75.69058
   72    71 S   HO   _H20    80     0.97719   107.27955   174.88848
   73    69 S   CA   _C17    68     1.39617   120.72410   179.26378
   74    73 S   HA   _H22    69     1.08626   119.95023   179.83098
   75    73 S   CA   _C18    70     1.39273   120.07269    -0.30838
   76    75 S   HA   _H23    71     1.08608   120.06527  -179.91844
   77    75 S   CA   _C19    72     1.39291   119.88281    -0.17471
   78    77 S   HA   _H24    73     1.08633   119.96875  -179.57158
   79    65 S   CA   _C20    74     1.40360   121.99362    78.90677
   80    79 S   HA   _H25    75     1.08700   120.68291     0.25564
  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  10   5   4   3
  17   8   2   1   1  19   9  13   6  13   6   5   5   1  11   6
   9   5   4   7   7   3  10   4   5   4  13   7   3   2   1   1
  13   6   3   2   8   4   1   1   6   3   5   3   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    42    53    40    41    45    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    47    49    53    54    40    41    45    46    57    58    61  
   38    39    42    53    40    41    45    57  
   36    37  
   37  
    0  
   39    42    43    44    47    48    49    53    54    40    41    45    57    58    61    62    63    64    52  
   42    43    44    47    53    40    57    58    61  
   41    45    46    57    58    61    42    47    49    50    51    53    54  
   45    46    57    49    53    54  
   43    44    47    48    49    50    51    53    57    58    61    52    55  
   44    47    48    49    57    52  
   47    48    49    57    52  
   46    57    49    53    54  
   53  
   48    49    50    51    53    54    57    52    55    56    59  
   49    50    51    53    52    55  
   50    51    53    54    57    58    61    52    55  
   51    53    54    57    52  
   53    54    57    52  
   55    56    59    60    65    66    53  
   54    57    58    61    62    63    64  
   57    58    61  
   56    59    60    65    69    79    66    67    68    71  
   59    60    65    66  
   58    61    62    63    64  
   61    62    63    64  
   60    65    69    70    73    77    79    80    66    67    68    71    72  
   65    69    79    66    67    68    71  
   62    63    64  
   63    64  
   64  
    0  
   69    70    73    74    75    77    78    79    80    66    67    68    71  
   67    68    71    72    69    79  
   68    71    72  
   71    72  
   70    73    74    75    76    77    79    80  
   73    74    75    79  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    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   1.6450   1.4500   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   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   58   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.145000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    57   367.000  1.471
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    40   268.000  1.529
   53    57   367.000  1.471
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   57    58   434.000  1.010
   57    61   367.000  1.471
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    55   214.000  1.327
   55    56   570.000  1.229
   55    59   317.000  1.522
   59    60   340.000  1.090
   59    65   317.000  1.510
   59    66   268.000  1.529
   65    69   469.000  1.400
   65    79   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   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    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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    57    80.00000  111.20000
   33    40    53    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    57    53    75.00000  113.01200
   38    57    58    35.00000  109.50000
   38    57    61    75.00000  113.01200
   42    38    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    58.35000  112.70000
   42    47    52    50.00000  109.50000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    55    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    40    58.35000  112.70000
   49    53    57    80.00000  111.20000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    40    41    37.50000  110.70000
   53    40    45    50.00000  109.50000
   53    57    58    35.00000  109.50000
   53    57    61    75.00000  113.01200
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    53    54    37.50000  110.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   57    38    39    35.00000  109.50000
   57    38    42    80.00000  111.20000
   57    53    54    35.00000  109.50000
   57    53    40    80.00000  111.20000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   61    57    58    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    55    56    83.00000  123.40000
   52    55    59    81.00000  111.40000
   55    59    60    35.00000  109.50000
   55    59    65    70.00000  110.93000
   55    59    66    63.00000  111.10000
   59    55    56    80.00000  120.40000
   59    65    69    70.00000  120.00000
   59    65    79    70.00000  120.00000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    71    50.00000  109.50000
   65    59    60    35.00000  109.50000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   65    79    77    63.00000  120.00000
   65    79    80    35.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    65    69    63.00000  120.00000
   79    77    78    35.00000  120.00000
   66    59    60    37.50000  110.70000
   66    59    65    70.00000  112.17500
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    57   0.56750  1.0 1.0
   29    33    38    57  -0.07550 -1.0 2.0
   29    33    38    57   0.20000  1.0 3.0
   29    33    40    53   0.44750  1.0 1.0
   29    33    40    53  -0.17800 -1.0 2.0
   29    33    40    53   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38   -57    53   0.47100  1.0 1.0
   33    38    57    58   0.17350  1.0 3.0
   33    38    57    61   0.47100  1.0 1.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    57   0.19200  1.0 3.0
   34    33    40    53   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    45   0.23400  1.0 3.0
   38    33   -40    53   0.56750  1.0 1.0
   38    33   -40    53  -0.07550 -1.0 2.0
   38    33   -40    53   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    45   0.86500  1.0 1.0
   38    33    40    45  -0.17500 -1.0 2.0
   38    33    40    45   0.20800  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.56750  1.0 1.0
   38    42    47    49  -0.07550 -1.0 2.0
   38    42    47    49   0.20000  1.0 3.0
   38    42    47    52   0.62750  1.0 1.0
   38    42    47    52  -0.30950 -1.0 2.0
   38    42    47    52   0.27300  1.0 3.0
   38    57    61    62   0.15000  1.0 3.0
   38    57    61    63   0.15000  1.0 3.0
   38    57    61    64   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    57    53   0.15000  1.0 3.0
   39    38    57    58   0.13050  1.0 3.0
   39    38    57    61   0.15000  1.0 3.0
   42    38    57    53   0.47100  1.0 1.0
   42    38    57    58   0.17350  1.0 3.0
   42    38    57    61   0.47100  1.0 1.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47   -49    53   0.56750  1.0 1.0
   42    47   -49    53  -0.07550 -1.0 2.0
   42    47   -49    53   0.20000  1.0 3.0
   42    47    52    55  -0.25900  1.0 1.0
   42    47    52    55  -0.47000 -1.0 2.0
   42    47    52    55   0.11750  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52   0.23400  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    52   0.23400  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    40   0.56750  1.0 1.0
   47    49    53    40  -0.07550 -1.0 2.0
   47    49    53    40   0.20000  1.0 3.0
   47    49    53    57   1.36600  1.0 1.0
   47    49    53    57  -0.11450 -1.0 2.0
   47    49    53    57   0.24250  1.0 3.0
   47    52    55    56   3.00000 -1.0 2.0
   47    52    55    59   1.63150  1.0 1.0
   47    52    55    59   2.92000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    55   0.08050  1.0 3.0
   49    47    52    55  -0.25900  1.0 1.0
   49    47    52    55  -0.47000 -1.0 2.0
   49    47    52    55   0.11750  1.0 3.0
   49    53    40    33   0.56750  1.0 1.0
   49    53    40    33  -0.07550 -1.0 2.0
   49    53    40    33   0.20000  1.0 3.0
   49    53    40    41   0.15000  1.0 3.0
   49    53    40    45   0.86500  1.0 1.0
   49    53    40    45  -0.17500 -1.0 2.0
   49    53    40    45   0.20800  1.0 3.0
   49    53   -57    38   0.47100  1.0 1.0
   49    53    57    58   0.17350  1.0 3.0
   49    53    57    61   0.47100  1.0 1.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    40   0.15000  1.0 3.0
   50    49    53    57   0.19200  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    40   0.15000  1.0 3.0
   51    49    53    57   0.19200  1.0 3.0
   53    40    45    46  -0.11600  1.0 1.0
   53    40    45    46  -0.09450 -1.0 2.0
   53    40    45    46   0.21250  1.0 3.0
   53    57    61    62   0.15000  1.0 3.0
   53    57    61    63   0.15000  1.0 3.0
   53    57    61    64   0.15000  1.0 3.0
   54    53    40    33   0.15000  1.0 3.0
   54    53    40    41   0.15000  1.0 3.0
   54    53    40    45   0.23400  1.0 3.0
   54    53    57    38   0.15000  1.0 3.0
   54    53    57    58   0.13050  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33   -38    57   1.36600  1.0 1.0
   40    33   -38    57  -0.11450 -1.0 2.0
   40    33   -38    57   0.24250  1.0 3.0
   40    53   -57    38   0.47100  1.0 1.0
   40    53    57    58   0.17350  1.0 3.0
   40    53    57    61   0.47100  1.0 1.0
   41    40    45    46   0.19450  1.0 3.0
   57    38    42    43   0.19200  1.0 3.0
   57    38    42    44   0.19200  1.0 3.0
   57    38   -42    47   1.36600  1.0 1.0
   57    38   -42    47  -0.11450 -1.0 2.0
   57    38   -42    47   0.24250  1.0 3.0
   57    53   -40    33   1.36600  1.0 1.0
   57    53   -40    33  -0.11450 -1.0 2.0
   57    53   -40    33   0.24250  1.0 3.0
   57    53    40    41   0.19200  1.0 3.0
   57    53    40    45   1.69300  1.0 1.0
   57    53    40    45  -0.48450 -1.0 2.0
   58    57    61    62   0.13050  1.0 3.0
   58    57    61    63   0.13050  1.0 3.0
   58    57    61    64   0.13050  1.0 3.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    65   0.40000  1.0 3.0
   52    55    59    66   0.36750  1.0 3.0
   55    59    65    69   0.04300 -1.0 2.0
   55    59    65    79   0.04300 -1.0 2.0
   55    59    66    67  -0.11250  1.0 3.0
   55    59    66    68  -0.11250  1.0 3.0
   55    59    66    71  -0.09450  1.0 1.0
   55    59    66    71  -1.12950 -1.0 2.0
   55    59    66    71   0.54000  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    65   0.30150 -1.0 2.0
   56    55    59    66   0.30150 -1.0 2.0
   59    65    69    70   3.62500 -1.0 2.0
   59    65    69    73   3.62500 -1.0 2.0
   59    65    79    77   3.62500 -1.0 2.0
   59    65    79    80   3.62500 -1.0 2.0
   59    66    71    72  -0.11600  1.0 1.0
   59    66    71    72  -0.09450 -1.0 2.0
   59    66    71    72   0.21250  1.0 3.0
   60    59    65    69   0.00000  1.0 1.0
   60    59    65    79   0.00000  1.0 1.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    71   0.23400  1.0 3.0
   65    59    66    67   0.43200  1.0 3.0
   65    59    66    68   0.43200  1.0 3.0
   65    59    66    71   1.13150  1.0 1.0
   65    59    66    71  -1.01400 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   65    69    73    75   3.62500 -1.0 2.0
   69    65    79    77   3.62500 -1.0 2.0
   69    65    79    80   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73   -75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    65   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    65   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    65    69    70   3.62500 -1.0 2.0
   79    65   -69    73   3.62500 -1.0 2.0
   66    59    65    69   0.04150 -1.0 2.0
   66    59    65    79   0.04150 -1.0 2.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   52    59    55    56  10.50000 -1.0 2.0
   69    79    65    59   4.00000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    65   1.10000 -1.0 2.0
END
