* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    145    226     433
    1     0 S   NP   _N1_     1    28.91357    96.56160   -21.88721
    2     1 S   H    _HN1     2     1.02834    41.06811   156.86223
    3     1 S   H    _H1_     3     1.02792    99.27558   -96.57770
    4     1 S   H    _H2_     4     1.02943    72.26027     9.80265
    5     1 S   CT   _CA1     5     1.50127   144.72365   110.39267
    6     5 S   HC   _HA1     6     1.09578   105.18736    90.13751
    7     5 S   CO3  _C1_     7     1.53731   112.14772   -30.02745
    8     7 S   O2Z  _O11     8     1.26374   115.04613   -50.08984
    9     7 S   O2Z  _O12     9     1.26199   114.88586   128.73394
   10     5 S   CT   _CB1    10     1.53038   107.37475  -152.07334
   11    10 S   HC   HB11    11     1.09842   109.31604   -50.02689
   12    10 S   HC   HB12    12     1.09808   110.53574    66.53063
   13    10 S   CT   _CG1    13     1.53020   112.63629  -170.94887
   14    13 S   HC   HG11    14     1.09497   110.69845   -66.05031
   15    13 S   HC   HG12    15     1.09663   109.77888    53.18501
   16    13 S   C    _CD1    16     1.51817   111.87388   173.60224
   17    16 S   O    _OE1    17     1.22765   123.15648    10.22120
   18    16 S   N    _N2_    18     1.38620   111.93087  -169.75287
   19    18 S   H    _HN2    19     1.01600   118.99877     0.44631
   20    18 S   CT1  _CA2    20     1.46273   123.22013   175.99234
   21    20 S   HC   _HA2    21     1.09730   109.38840     3.95324
   22    20 S   C    _C2_    22     1.53568   108.64956  -111.54864
   23    22 S   O    _O2_    23     1.23067   122.24169  -148.20309
   24    20 S   CT   _CB2    32     1.53201   111.57868   126.04494
   25    24 S   HC   HB21    33     1.09417   109.80511    58.46255
   26    24 S   HC   HB22    34     1.09529   110.57381   176.37615
   27    22 S   N    _N3_    24     1.38313   113.76380    39.23494
   28    27 S   H    _HN3    25     1.01573   119.60510    -3.30618
   29    24 S   S    _SG2    35     1.82900   111.45116   -64.74771
   30    27 S   CT   _CA3    26     1.45283   123.23889   177.16269
   31    30 S   HC   HA31    27     1.09548   107.51992   -64.45191
   32    30 S   HC   HA32    28     1.09556   107.97870    51.99324
   33    29 S   CT   _C11    36     1.84016   100.08227   138.66928
   34    33 S   HC   _H3_    37     1.09740   106.61314    47.17614
   35    30 S   CO3  _C3_    29     1.52967   114.06289   173.99250
   36    35 S   O2Z  _O31    30     1.26380   116.07071    -0.33102
   37    35 S   O2Z  _O32    31     1.26430   114.41084   179.72094
   38    33 S   CA   _C7_    38     1.52046   111.47202   -72.34433
   39    33 S   CT   _C12    54     1.53543   108.38614   162.79498
   40    39 S   HC   _H13    55     1.09719   112.64907    64.39641
   41    39 S   HC   _H14    56     1.09785   111.28598   -54.52210
   42    38 S   CA   _C8_    39     1.40290   119.42622   116.18858
   43    42 S   HA   _H10    40     1.08750   120.44756    -0.23985
   44    39 S   CO4  _C13    57     1.51045   110.84623  -172.80339
   45    44 S   O    _O35    58     1.22390   123.76243    74.85778
   46    42 S   CA   _C9_    41     1.39337   120.70421   179.78060
   47    46 S   HA   _H11    42     1.08609   119.38132   179.89165
   48    44 S   OS   _O36    59     1.36113   109.89326  -103.61893
   49    46 S   CA   _C10    43     1.39361   119.65214    -0.45500
   50    48 S   CT   _C14    60     1.44597   117.55186   177.87146
   51    50 S   HC   _H15    61     1.09859   108.84898   -37.50940
   52    49 S   CA   _C5_    44     1.39871   121.06757    -0.05595
   53    49 S   OH   _O34    52     1.37013   119.80154  -179.65736
   54    53 S   HO   _H12    53     0.97182   108.83432     0.07662
   55    50 S   CT   _C15    62     1.53385   107.71130  -154.99639
   56    55 S   HC   _H4_    63     1.09574   110.25042   -50.75071
   57    38 S   CA   _C6_    45     1.40818   121.81754   -64.47521
   58    57 S   HA   _H9_    46     1.08607   118.40939     0.68414
   59    52 S   OS   _O33    47     1.37001   116.05944  -179.45860
   60    55 S   CT   _C16    64     1.53002   111.28146  -174.99031
   61    60 S   HC   _H16    65     1.09817   109.79657   178.70744
   62    60 S   HC   _H17    66     1.09997   109.13075   -68.45880
   63    55 S   OH   _O41    80     1.42934   108.43881    65.88383
   64    63 S   HO   _H22    81     0.97270   107.29652  -174.57046
   65    59 S   CT   _C4_    48     1.42216   117.20778   175.25571
   66    65 S   HC   _H6_    49     1.09418   107.75391  -177.45739
   67    65 S   HC   _H7_    50     1.09470   111.14172    64.73892
   68    65 S   HC   _H8_    51     1.09514   111.16505   -59.71607
   69    60 S   CT   _C17    67     1.53168   113.38236    53.86082
   70    69 S   CT   _C18    68     1.54031   110.24050   -52.50533
   71    70 S   HC   _H18    69     1.09857   109.13638   -68.35422
   72    70 S   HC   _H19    70     1.09713   110.24886   176.32656
   73    69 S   CO3  _C20    75     1.55775   114.54654    75.18571
   74    73 S   O2Z  _O39    76     1.26637   114.74505  -174.27443
   75    73 S   O2Z  _O38    77     1.26253   116.35658     7.00477
   76    69 S   OH   _O40    78     1.43881   106.72230  -168.56592
   77    76 S   HO   _H21    79     0.97408   107.14162  -175.58971
   78    50 S   CT   _C19    71     1.53463   109.76825    83.41701
   79    78 S   HC   _H5_    72     1.09526   109.99858   -63.76675
   80    78 S   OH   _O37    73     1.42736   109.38987    52.91771
   81    80 S   HO   _H20    74     0.97302   107.87210   172.12368
  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
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  16   8   9   3   1  13   7   3   1   4  14   6   5   3   1
   3   2   1   1  11  11   6   5   5   2   1   2   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    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    57    58    59    39    40    41    44  
   40    41    44    45    48    50    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    53  
   46    47    49    57  
   45    48    50    51    55    78  
   48    50  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    60    70    78    79    80    63  
   52    57    58    59    65    53    54  
   51    55    56    60    61    62    69    70    71    72    78    79    80    81    63    64  
   55    56    60    70    78    79    80    63  
   57    58    59    65    66    67    68    53    54  
   54    57    59  
    0  
   56    60    61    62    69    70    78    79    80    73    76    63    64  
   60    61    62    69    78    63    64  
   58    59    65  
   59  
   65    66    67    68  
   61    62    69    70    71    72    78    73    74    75    76    77    63    64  
   62    69    70    73    76    63  
   69    70    73    76    63  
   64    69    78  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    78    79    80    73    74    75    76    77  
   71    72    78    79    80    81    73    74    75    76    77  
   72    78    79    80    73    76  
   78    79    80    73    76  
   74    75    76    77    78  
   75    76  
   76  
   77    78  
    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  -0.335000   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    78   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   268.000  1.529
   69    70   268.000  1.529
   69    73   317.000  1.522
   69    76   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   320.000  1.410
   80    81   553.000  0.945
   73    74   656.000  1.250
   73    75   656.000  1.250
   76    77   553.000  0.945
   63    64   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    65    75.00000  111.00000
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    78    50.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   50    55    63    50.00000  109.50000
   50    78    70    58.35000  112.70000
   50    78    79    37.50000  110.70000
   50    78    80    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    69    58.35000  112.70000
   55    63    64    55.00000  108.50000
   60    55    56    37.50000  110.70000
   60    69    70    58.35000  112.70000
   60    69    73    70.00000  109.69300
   60    69    76    50.00000  109.50000
   62    60    61    33.00000  107.80000
   69    60    61    37.50000  110.70000
   69    60    62    37.50000  110.70000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    78    58.35000  112.70000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   69    76    77    55.00000  108.50000
   70    78    79    37.50000  110.70000
   70    78    80    50.00000  109.50000
   72    70    71    33.00000  107.80000
   78    50    51    37.50000  110.70000
   78    50    55    58.35000  112.70000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    80    81    55.00000  108.50000
   80    78    79    35.00000  109.50000
   73    69    70    70.00000  109.69300
   75    73    74    80.00000  126.00000
   76    69    70    50.00000  109.50000
   76    69    73    95.00000  109.52300
   63    55    56    35.00000  109.50000
   63    55    60    50.00000  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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    65   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    59    65    66   0.08050  1.0 3.0
   52    59    65    67   0.08050  1.0 3.0
   52    59    65    68   0.08050  1.0 3.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   57    52    59    65   1.63200 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    78  -0.25900  1.0 1.0
   44    48    50    78  -0.47000 -1.0 2.0
   44    48    50    78   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    60   0.62750  1.0 1.0
   48    50    55    60  -0.30950 -1.0 2.0
   48    50    55    60   0.27300  1.0 3.0
   48    50    55    63   3.69350  1.0 1.0
   48    50    55    63  -1.82950 -1.0 2.0
   48    50    78    70   0.62750  1.0 1.0
   48    50    78    70  -0.30950 -1.0 2.0
   48    50    78    70   0.27300  1.0 3.0
   48    50    78    79   0.23400  1.0 3.0
   48    50    78    80   3.69350  1.0 1.0
   48    50    78    80  -1.82950 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    69   0.56750  1.0 1.0
   50    55    60    69  -0.07550 -1.0 2.0
   50    55    60    69   0.20000  1.0 3.0
   50    55    63    64  -0.11600  1.0 1.0
   50    55    63    64  -0.09450 -1.0 2.0
   50    55    63    64   0.21250  1.0 3.0
   50    78    80    81  -0.11600  1.0 1.0
   50    78    80    81  -0.09450 -1.0 2.0
   50    78    80    81   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   51    50    55    63   0.23400  1.0 3.0
   51    50    78    70   0.15000  1.0 3.0
   51    50    78    79   0.15000  1.0 3.0
   51    50    78    80   0.23400  1.0 3.0
   55    50    78    70   0.56750  1.0 1.0
   55    50    78    70  -0.07550 -1.0 2.0
   55    50    78    70   0.20000  1.0 3.0
   55    50    78    79   0.15000  1.0 3.0
   55    50    78    80   0.86500  1.0 1.0
   55    50    78    80  -0.17500 -1.0 2.0
   55    50    78    80   0.20800  1.0 3.0
   55    60   -69    70   0.56750  1.0 1.0
   55    60   -69    70  -0.07550 -1.0 2.0
   55    60   -69    70   0.20000  1.0 3.0
   55    60    69    73  -1.63150  1.0 1.0
   55    60    69    73  -0.43550 -1.0 2.0
   55    60    69    73   0.24500  1.0 3.0
   55    60    69    76   0.86500  1.0 1.0
   55    60    69    76  -0.17500 -1.0 2.0
   55    60    69    76   0.20800  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    69   0.15000  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   60    55    63    64  -0.11600  1.0 1.0
   60    55    63    64  -0.09450 -1.0 2.0
   60    55    63    64   0.21250  1.0 3.0
   60    69    70    71   0.15000  1.0 3.0
   60    69    70    72   0.15000  1.0 3.0
   60    69    70    78   0.56750  1.0 1.0
   60    69    70    78  -0.07550 -1.0 2.0
   60    69    70    78   0.20000  1.0 3.0
   60    69    73    74   0.41150 -1.0 2.0
   60    69    73    75   0.41150 -1.0 2.0
   60    69    76    77  -0.11600  1.0 1.0
   60    69    76    77  -0.09450 -1.0 2.0
   60    69    76    77   0.21250  1.0 3.0
   61    60    69    70   0.15000  1.0 3.0
   61    60    69    73  -0.11250  1.0 3.0
   61    60    69    76   0.23400  1.0 3.0
   62    60    69    70   0.15000  1.0 3.0
   62    60    69    73  -0.11250  1.0 3.0
   62    60    69    76   0.23400  1.0 3.0
   69    70   -78    50   0.56750  1.0 1.0
   69    70   -78    50  -0.07550 -1.0 2.0
   69    70   -78    50   0.20000  1.0 3.0
   69    70    78    79   0.15000  1.0 3.0
   69    70    78    80   0.86500  1.0 1.0
   69    70    78    80  -0.17500 -1.0 2.0
   69    70    78    80   0.20800  1.0 3.0
   70    69    73    74   0.41150 -1.0 2.0
   70    69    73    75   0.41150 -1.0 2.0
   70    69    76    77  -0.11600  1.0 1.0
   70    69    76    77  -0.09450 -1.0 2.0
   70    69    76    77   0.21250  1.0 3.0
   70    78    80    81  -0.11600  1.0 1.0
   70    78    80    81  -0.09450 -1.0 2.0
   70    78    80    81   0.21250  1.0 3.0
   71    70    78    50   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.23400  1.0 3.0
   72    70    78    50   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    80   0.23400  1.0 3.0
   78    50    55    56   0.15000  1.0 3.0
   78    50   -55    60   0.56750  1.0 1.0
   78    50   -55    60  -0.07550 -1.0 2.0
   78    50   -55    60   0.20000  1.0 3.0
   78    50    55    63   0.86500  1.0 1.0
   78    50    55    63  -0.17500 -1.0 2.0
   78    50    55    63   0.20800  1.0 3.0
   79    78    80    81   0.19450  1.0 3.0
   73    69    70    71  -0.11250  1.0 3.0
   73    69    70    72  -0.11250  1.0 3.0
   73    69    70    78  -1.63150  1.0 1.0
   73    69    70    78  -0.43550 -1.0 2.0
   73    69    70    78   0.24500  1.0 3.0
   73    69    76    77   0.91850  1.0 1.0
   73    69    76    77   0.57950  1.0 3.0
   76    69    70    71   0.23400  1.0 3.0
   76    69    70    72   0.23400  1.0 3.0
   76    69    70    78   0.86500  1.0 1.0
   76    69    70    78  -0.17500 -1.0 2.0
   76    69    70    78   0.20800  1.0 3.0
   76    69    73    74   0.30150 -1.0 2.0
   76    69    73    75   0.30150 -1.0 2.0
   63    55    60    61   0.23400  1.0 3.0
   63    55    60    62   0.23400  1.0 3.0
   63    55    60    69   0.86500  1.0 1.0
   63    55    60    69  -0.17500 -1.0 2.0
   63    55    60    69   0.20800  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
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
END
