* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    143    219     425
    1     0 S   NP   _N1_     1    28.86924    95.66845   -21.06902
    2     1 S   H    _HN1     2     1.02962    80.82158     4.34753
    3     1 S   H    _H1_     3     1.02835    40.11548   134.96504
    4     1 S   H    _H2_     4     1.02780    88.53962  -104.52276
    5     1 S   CT   _CA1     5     1.50107   150.15837   119.64955
    6     5 S   HC   _HA1     6     1.09554   105.29658    69.79561
    7     5 S   CO3  _C1_     7     1.53854   112.48929   -50.71538
    8     7 S   O2Z  _O11     8     1.26344   115.04019   -39.01965
    9     7 S   O2Z  _O12     9     1.26252   115.03847   140.36790
   10     5 S   CT   _CB1    10     1.53094   107.47845  -171.85057
   11    10 S   HC   HB11    11     1.09824   109.75941   -47.00348
   12    10 S   HC   HB12    12     1.09823   110.18891    69.66098
   13    10 S   CT   _CG1    13     1.52992   112.59810  -167.92837
   14    13 S   HC   HG11    14     1.09543   110.62637   -59.19516
   15    13 S   HC   HG12    15     1.09642   109.95216    60.06415
   16    13 S   C    _CD1    16     1.51739   112.26889  -179.18339
   17    16 S   O    _OE1    17     1.22716   123.33607     0.77228
   18    16 S   N    _N2_    18     1.38623   111.57190  -179.83568
   19    18 S   H    _HN2    19     1.01579   119.05490     4.05444
   20    18 S   CT1  _CA2    20     1.46241   123.33793  -177.32643
   21    20 S   HC   _HA2    21     1.09722   109.38297    -1.35610
   22    20 S   C    _C2_    22     1.53395   109.03073  -117.27347
   23    22 S   O    _O2_    23     1.23056   122.17376  -150.40339
   24    20 S   CT   _CB2    32     1.53445   111.06191   120.34964
   25    24 S   HC   HB21    33     1.09368   109.16462    58.72089
   26    24 S   HC   HB22    34     1.09501   110.60437   177.45071
   27    22 S   N    _N3_    24     1.38289   113.71345    37.02197
   28    27 S   H    _HN3    25     1.01613   119.51577    -3.55710
   29    24 S   S    _SG2    35     1.82810   111.19695   -62.59804
   30    27 S   CT   _CA3    26     1.45293   123.18820   177.05749
   31    30 S   HC   HA31    27     1.09551   107.47554   -65.00903
   32    30 S   HC   HA32    28     1.09557   108.01661    51.42411
   33    29 S   CT   _C8_    36     1.84340   100.39265   172.28998
   34    33 S   HC   _H5_    37     1.09734   107.44638    48.22573
   35    30 S   CO3  _C3_    29     1.52953   114.09449   173.39384
   36    35 S   O2Z  _O31    30     1.26375   116.04354    -2.34410
   37    35 S   O2Z  _O32    31     1.26435   114.41534   177.75223
   38    33 S   CT   _C7_    38     1.54988   111.24436   -70.40701
   39    38 S   HC   _H4_    39     1.09530   109.44099    64.51518
   40    38 S   CT   _C6_    40     1.54208   110.07139  -175.11641
   41    40 S   HC   _H3_    41     1.09546   110.74170   172.18026
   42    38 S   OS   _O37    62     1.43715   108.76689   -55.89563
   43    40 S   CO   _C10    42     1.53590   109.75135    52.58904
   44    43 S   HC   _H7_    43     1.09705   110.58557    62.93024
   45    40 S   N    _N4_    54     1.46653   110.87267   -70.13735
   46    45 S   H    _H14    55     1.01588   117.53012   105.12470
   47    42 S   CO   _C12    63     1.43439   113.80476   142.06053
   48    47 S   HC   _H8_    64     1.09914   108.51736   -50.66710
   49    43 S   OS   _O34    44     1.42464   109.91567   -58.14941
   50    43 S   OH   _O35    52     1.42457   109.16600  -179.13047
   51    50 S   HO   _H15    53     0.97195   106.67978  -158.44853
   52    45 S   C    _C5_    56     1.38252   123.08430   -75.31988
   53    52 S   O    _O33    57     1.22751   125.45307     1.69547
   54    47 S   CT   _C13    65     1.53501   107.88566  -168.48544
   55    54 S   HC   _H9_    66     1.09523   111.02296    55.27002
   56    33 S   CT   _C9_    45     1.54761   110.74513   165.98572
   57    56 S   HC   _H6_    46     1.09833   111.43940    59.81715
   58    52 S   CT   _C4_    58     1.50440   112.49214  -179.79826
   59    58 S   HC   _H11    59     1.09381   110.49355    44.82769
   60    58 S   HC   _H12    60     1.09349   109.62420   164.44221
   61    58 S   HC   _H13    61     1.09337   109.36600   -75.70987
   62    54 S   CT   _C14    67     1.53309   108.96005   177.12295
   63    62 S   HC   _H10    68     1.09700   109.81285   -76.74396
   64    54 S   OH   _O42    78     1.43316   109.72374   -61.29584
   65    64 S   HO   _H21    79     0.97267   107.71623   -59.40065
   66    56 S   CT   _C11    47     1.53390   113.31144   -63.56324
   67    66 S   HC   _H16    48     1.09239   112.50614    55.46482
   68    66 S   HC   _H17    49     1.09518   110.86780   -67.32373
   69    62 S   CM   _C15    69     1.49731   111.38733    42.15360
   70    69 S   HC   _H19    70     1.08645   117.29189   166.01384
   71    62 S   OH   _O41    76     1.42113   110.91918   164.23002
   72    71 S   HO   _H20    77     0.97631   107.12157    66.47551
   73    66 S   OH   _O36    50     1.42658   109.01367   174.27241
   74    73 S   HO   _H18    51     0.97236   107.01164   178.59333
   75    69 S   CM   _C16    71     1.34284   121.92679   -13.52507
   76    47 S   OS   _O38    72     1.43516   111.68809    69.23111
   77    75 S   CO3  _C17    73     1.54405   120.47054   177.65899
   78    77 S   O2Z  _O40    74     1.26479   116.06193    28.08531
   79    77 S   O2Z  _O39    75     1.26574   114.95194  -152.11077
  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
  16   8   2   1   1  18   7  14   8  11  10   5   9   3  12   6
   8   2   1   5   4  11   7   6   4   3   2   1   1  10   6   4
   1   4   3   2   8   4   2   1   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    56    57    66    67    68    73    45    42    47  
   38    39    40    49    56    57    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    66    50    45    46    52    42    47    48    54    76  
   40    41    43    56    45    42    47  
   41    43    44    49    56    50    51    45    46    52    53    58    42    47  
   43    44    49    50    45    46    52    42  
   47    48    54    55    62    75    76    64    43    45    56  
   44    49    56    57    66    50    51    45    46    52  
   49    56    50    51    45  
   46    52    53    58    59    60    61    49    50  
   52    53    58  
   48    54    55    62    63    69    75    76    77    71    64    65  
   54    55    62    75    76    64  
   56    57    66    67    68    73    50    51  
   51    56  
    0  
   53    58    59    60    61  
   58    59    60    61  
   55    62    63    69    70    75    76    71    72    64    65  
   62    63    69    76    71    64    65  
   57    66    67    68    73    74  
   66    67    68    73  
   59    60    61  
   60    61  
   61  
    0  
   63    69    70    75    76    77    71    72    64    65  
   69    70    75    71    72    64  
   65    69    71    76  
    0  
   67    68    73    74  
   68    73    74  
   73    74  
   70    75    76    77    78    79    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   76   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    45   337.000  1.449
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   380.000  1.407
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   320.000  1.410
   73    74   553.000  0.945
   50    51   553.000  0.945
   45    46   434.000  1.010
   45    52   490.000  1.335
   52    53   570.000  1.229
   52    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    54   250.000  1.527
   47    76   320.000  1.380
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    64   320.000  1.410
   62    63   340.000  1.090
   62    69   317.000  1.510
   62    71   320.000  1.410
   69    70   340.000  1.080
   69    75   549.000  1.340
   75    76   440.000  1.360
   75    77   230.000  1.545
   77    78   656.000  1.250
   77    79   656.000  1.250
   71    72   553.000  0.945
   64    65   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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    56    49    50.00000  109.50000
   33    56    57    37.50000  110.70000
   33    56    66    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    70.00000  110.72300
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  110.19100
   40    45    46    38.00000  118.40000
   40    45    52    50.00000  121.90000
   43    40    41    45.00000  108.72000
   43    49    56    60.00000  109.50000
   43    50    51    70.00000  107.92000
   49    43    44    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    66    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    73    50.00000  109.50000
   66    56    57    37.50000  110.70000
   66    73    74    55.00000  108.50000
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   50    43    44    60.00000  108.02500
   50    43    49   110.00000  112.08000
   45    40    41    35.00000  109.50000
   45    40    43    70.00000  110.72300
   45    52    53    80.00000  122.90000
   45    52    58    70.00000  116.60000
   52    45    46    35.00000  119.80000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   58    52    53    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    54    90.00000  108.56700
   42    47    76    92.60000  111.55000
   47    54    55    45.00000  108.72000
   47    54    62    75.00000  109.43000
   47    54    64    90.00000  111.58700
   47    76    75    85.00000  113.97000
   54    47    48    45.00000  112.01100
   54    62    63    37.50000  110.70000
   54    62    69    70.00000  112.02700
   54    62    71    50.00000  109.50000
   54    64    65    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    69    70    35.00000  117.00000
   62    69    75    70.00000  124.00000
   62    71    72    55.00000  108.50000
   69    62    63    35.00000  109.50000
   69    75    76    80.00000  120.01400
   69    75    77    55.00000  124.75400
   75    69    70    35.00000  120.00000
   75    77    78    85.00000  113.83300
   75    77    79    85.00000  113.83300
   76    47    48    35.00000  109.50000
   76    47    54    90.00000  108.56700
   77    75    76    80.00000  119.00000
   79    77    78    80.00000  126.00000
   71    62    63    35.00000  109.50000
   71    62    69    90.00000  110.39200
   64    54    55    35.00000  109.50000
   64    54    62    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   0.01700  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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    56    49   0.56750  1.0 1.0
   29    33    56    49  -0.07550 -1.0 2.0
   29    33    56    49   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    66   0.44750  1.0 1.0
   29    33    56    66  -0.17800 -1.0 2.0
   29    33    56    66   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45  -0.27100  1.0 1.0
   33    38    40    45  -0.01700 -1.0 2.0
   33    38    40    45  -0.48600  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    56    66    67   0.15000  1.0 3.0
   33    56    66    68   0.15000  1.0 3.0
   33    56    66    73   0.86500  1.0 1.0
   33    56    66    73  -0.17500 -1.0 2.0
   33    56    66    73   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    56    49   0.23400  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    66   0.15000  1.0 3.0
   38    33    56    49   0.62750  1.0 1.0
   38    33    56    49  -0.30950 -1.0 2.0
   38    33    56    49   0.27300  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    66   0.56750  1.0 1.0
   38    33    56    66  -0.07550 -1.0 2.0
   38    33    56    66   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.86500  1.0 1.0
   38    40    43    50  -0.17500 -1.0 2.0
   38    40    43    50   0.20800  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    52  -0.43950  1.0 1.0
   38    40    45    52  -0.08100 -1.0 2.0
   38    40    45    52   0.03350  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    54   0.06250  1.0 1.0
   38    42    47    54  -0.01100 -1.0 2.0
   38    42    47    54   0.28050  1.0 3.0
   38    42    47    76  -0.53350  1.0 1.0
   38    42    47    76  -0.78350 -1.0 2.0
   38    42    47    76   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    56   0.06250  1.0 1.0
   40    43    49    56  -0.01100 -1.0 2.0
   40    43    49    56   0.28050  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   40    45    52    53   3.04450 -1.0 2.0
   40    45    52    58   1.49850  1.0 1.0
   40    45    52    58   1.53950 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    52  -0.43950  1.0 1.0
   43    40    45    52  -0.08100 -1.0 2.0
   43    40    45    52   0.03350  1.0 3.0
   43    49   -56    33   0.06250  1.0 1.0
   43    49   -56    33  -0.01100 -1.0 2.0
   43    49   -56    33   0.28050  1.0 3.0
   43    49    56    57   0.37050  1.0 3.0
   43    49    56    66   0.06250  1.0 1.0
   43    49    56    66  -0.01100 -1.0 2.0
   43    49    56    66   0.28050  1.0 3.0
   44    43    49    56   0.37050  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.50000  1.0 1.0
   49    43    50    51  -0.73950 -1.0 2.0
   49    43    50    51   0.17150  1.0 3.0
   49    56    66    67   0.23400  1.0 3.0
   49    56    66    68   0.23400  1.0 3.0
   49    56    66    73   3.69350  1.0 1.0
   49    56    66    73  -1.82950 -1.0 2.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    66    73    74  -0.11600  1.0 1.0
   56    66    73    74  -0.09450 -1.0 2.0
   56    66    73    74   0.21250  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    73   0.23400  1.0 3.0
   67    66    73    74   0.19450  1.0 3.0
   68    66    73    74   0.19450  1.0 3.0
   50    43    49    56  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    49   1.12100  1.0 1.0
   45    40    43    49  -0.16500 -1.0 2.0
   45    40    43    50   2.76900  1.0 1.0
   45    40    43    50  -0.24350 -1.0 2.0
   45    40    43    50  -0.78250  1.0 3.0
   45    52    58    59   0.00000  1.0 1.0
   45    52    58    60   0.00000  1.0 1.0
   45    52    58    61   0.00000  1.0 1.0
   46    45    52    53   2.45000 -1.0 2.0
   46    45    52    58   2.45000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.12100  1.0 1.0
   42    38    40    45  -0.16500 -1.0 2.0
   42    47    54    55   0.23400  1.0 3.0
   42    47    54    62   0.62750  1.0 1.0
   42    47    54    62  -0.30950 -1.0 2.0
   42    47    54    62   0.27300  1.0 3.0
   42    47    54    64   3.69350  1.0 1.0
   42    47    54    64  -1.82950 -1.0 2.0
   42    47    76    75  -0.48150  1.0 1.0
   42    47    76    75   0.09250 -1.0 2.0
   42    47    76    75  -0.12850  1.0 3.0
   47    54    62    63   0.15000  1.0 3.0
   47    54    62    69   0.34400  1.0 1.0
   47    54    62    69   0.09450 -1.0 2.0
   47    54    62    69   0.11100  1.0 3.0
   47    54    62    71   0.86500  1.0 1.0
   47    54    62    71  -0.17500 -1.0 2.0
   47    54    62    71   0.20800  1.0 3.0
   47    54    64    65  -0.11600  1.0 1.0
   47    54    64    65  -0.09450 -1.0 2.0
   47    54    64    65   0.21250  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    62   0.15000  1.0 3.0
   48    47    54    64   0.23400  1.0 3.0
   48    47    76    75   0.08050  1.0 3.0
   54    47    76    75  -0.46850  1.0 1.0
   54    47    76    75   0.09300 -1.0 2.0
   54    47    76    75  -0.12850  1.0 3.0
   54    62    69    70   0.00000  1.0 1.0
   54    62   -69    75   0.09850  1.0 1.0
   54    62   -69    75   0.15250 -1.0 2.0
   54    62   -69    75  -0.50650  1.0 3.0
   54    62    71    72  -0.11600  1.0 1.0
   54    62    71    72  -0.09450 -1.0 2.0
   54    62    71    72   0.21250  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    69   0.15000  1.0 3.0
   55    54    62    71   0.23400  1.0 3.0
   55    54    64    65   0.19450  1.0 3.0
   62    54    64    65  -0.11600  1.0 1.0
   62    54    64    65  -0.09450 -1.0 2.0
   62    54    64    65   0.21250  1.0 3.0
   62    69    75    76   7.00000 -1.0 2.0
   62    69    75    77   7.00000 -1.0 2.0
   63    62    69    70   0.33100  1.0 3.0
   63    62    69    75   0.00000  1.0 1.0
   63    62    71    72   0.19450  1.0 3.0
   69    62    71    72  -0.07800  1.0 1.0
   69    62    71    72  -0.21500 -1.0 2.0
   69    62    71    72  -0.03150  1.0 3.0
   69    75   -76    47  -2.26850  1.0 1.0
   69    75   -76    47   3.39050 -1.0 2.0
   69    75    77    78  -0.04000 -1.0 2.0
   69    75    77    78  -0.29050  1.0 3.0
   69    75    77    79  -0.04000 -1.0 2.0
   69    75    77    79  -0.29050  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    77   7.00000 -1.0 2.0
   76    47    54    55   0.23400  1.0 3.0
   76    47   -54    62   0.62750  1.0 1.0
   76    47   -54    62  -0.30950 -1.0 2.0
   76    47   -54    62   0.27300  1.0 3.0
   76    47    54    64   3.69350  1.0 1.0
   76    47    54    64  -1.82950 -1.0 2.0
   76    75    77    78  -0.11900  1.0 1.0
   76    75    77    78   0.76850 -1.0 2.0
   76    75    77    78   0.14100  1.0 3.0
   76    75    77    79  -0.11900  1.0 1.0
   76    75    77    79   0.76850 -1.0 2.0
   76    75    77    79   0.14100  1.0 3.0
   77    75    76    47   0.15100 -1.0 2.0
   71    62    69    70   0.00000  1.0 1.0
   71    62    69    75   0.67800  1.0 1.0
   71    62    69    75   0.47050 -1.0 2.0
   71    62    69    75  -0.62500  1.0 3.0
   64    54    62    63   0.23400  1.0 3.0
   64    54    62    69   1.05650  1.0 1.0
   64    54    62    69   0.15600 -1.0 2.0
   64    54    62    69   0.53150  1.0 3.0
   64    54    62    71   3.75450  1.0 1.0
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
   46    52    45    40   1.00000 -1.0 2.0
   45    58    52    53  10.50000 -1.0 2.0
   62    70    69    75   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
END
