* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    162    257     474
    1     0 S   NP   _N1_     1    29.02450    95.78237   -19.54772
    2     1 S   H    _HN1     2     1.02776    76.77264   -73.83643
    3     1 S   H    _H1_     3     1.02962    91.32460    34.69789
    4     1 S   H    _H2_     4     1.02834    41.99680   149.00160
    5     1 S   CT   _CA1     5     1.50122   150.88731   173.95759
    6     5 S   HC   _HA1     6     1.09567   105.25571    41.58725
    7     5 S   CO3  _C1_     7     1.53852   112.42531   -78.68891
    8     7 S   O2Z  _O11     8     1.26361   115.01784   -41.29939
    9     7 S   O2Z  _O12     9     1.26240   114.98801   137.99637
   10     5 S   CT   _CB1    10     1.53115   107.42663   159.62836
   11    10 S   HC   HB11    11     1.09815   109.49201   -49.40631
   12    10 S   HC   HB12    12     1.09828   110.33033    67.21121
   13    10 S   CT   _CG1    13     1.52978   112.63414  -170.52717
   14    13 S   HC   HG11    14     1.09512   110.31782   -60.11485
   15    13 S   HC   HG12    15     1.09631   110.15165    58.95889
   16    13 S   C    _CD1    16     1.51796   112.27066   179.16772
   17    16 S   O    _OE1    17     1.22716   123.18088   -13.24619
   18    16 S   N    _N2_    18     1.38575   111.61603   167.61205
   19    18 S   H    _HN2    19     1.01576   118.99333     1.19321
   20    18 S   CT1  _CA2    20     1.46259   123.56268  -178.11415
   21    20 S   HC   _HA2    21     1.09728   109.44751   -13.62244
   22    20 S   C    _C2_    22     1.53413   108.11299  -129.32238
   23    22 S   O    _O2_    23     1.23002   122.35100  -144.81841
   24    20 S   CT   _CB2    32     1.53389   111.10653   108.59884
   25    24 S   HC   HB21    33     1.09510   109.63993    53.67489
   26    24 S   HC   HB22    34     1.09504   110.79365   172.29734
   27    22 S   N    _N3_    24     1.38551   113.28572    42.48978
   28    27 S   H    _HN3    25     1.01529   118.87776    -0.54249
   29    24 S   S    _SG2    35     1.82771   111.60662   -68.45012
   30    27 S   CT   _CA3    26     1.45447   123.45810   175.14255
   31    30 S   HC   HA31    27     1.09522   109.23934    24.30693
   32    30 S   HC   HA32    28     1.09495   107.11958   141.31240
   33    29 S   CT   _C16    36     1.86364    99.70927   155.02801
   34    33 S   HC   _H5_    37     1.09776   106.10237    32.44245
   35    30 S   CO3  _C3_    29     1.52926   113.12098   -99.17192
   36    35 S   O2Z  _O31    30     1.26402   115.40952   -44.28966
   37    35 S   O2Z  _O32    31     1.26356   114.97923   136.64681
   38    33 S   CT   _C17    38     1.57948   110.76679   151.95882
   39    38 S   OM   _O36    39     1.33021   106.73944   -71.30560
   40    38 S   HC   _H6_    40     1.10234   104.61747    55.90862
   41    38 S   CT   _C12    41     1.59608   113.92736   169.15581
   42    41 S   CA   _C7_    42     1.57170   114.24655  -158.62507
   43    41 S   CT   _C21    57     1.56964   117.27461    75.92009
   44    43 S   HC   _H8_    58     1.09678   112.12130    91.74648
   45    41 S   CT   _C13    61     1.54653   110.07344   -39.86252
   46    45 S   HC   _H3_    62     1.09911   112.52146   -78.56039
   47    42 S   CA   _C8_    43     1.40183   122.23740   -26.30632
   48    47 S   HA   _H12    44     1.08269   122.70072     1.25007
   49    43 S   OH   _O38    59     1.42279   113.74535   -29.51420
   50    49 S   HO   _H24    60     0.97573   106.15848    62.22005
   51    45 S   CT   _C14    63     1.52432   116.46139    47.45545
   52    51 S   HC   _H15    64     1.09527   112.40584    62.27234
   53    51 S   HC   _H16    65     1.09608   108.75877   179.55501
   54    47 S   CA   _C9_    45     1.38173   118.83142  -178.75259
   55    33 S   CT   _C15    66     1.54554   108.29534   -83.17471
   56    55 S   HC   _H4_    67     1.09723   109.78060    60.01414
   57    54 S   CA   _C10    46     1.37765   122.81239     0.08847
   58    55 S   OS   _O37    68     1.43466   109.53104   -60.37180
   59    57 S   CA   _C5_    47     1.38275   121.12987     0.00000
   60    58 S   CT   _C18    69     1.42106   113.64499   158.62048
   61    60 S   HC   _H17    70     1.09309   108.08777  -176.44092
   62    60 S   HC   _H18    71     1.09283   111.05224    64.92626
   63    60 S   HC   _H19    72     1.09363   110.64358   -57.77427
   64    57 S   OS   _O34    78     1.36256   111.09604  -179.92338
   65    42 S   CA   _C6_    48     1.43632   119.48645   155.45540
   66    59 S   OS   _O33    73     1.36704   127.15278  -179.54630
   67    64 S   CO   _C11    79     1.43810   102.00122    -0.03956
   68    67 S   HC   _H13    80     1.09601   108.72279  -120.93315
   69    67 S   HC   _H14    81     1.09601   108.72363   120.92172
   70    65 S   CT   _C19    49     1.51638   119.62120    -2.87957
   71    70 S   HC   _H20    50     1.09552   111.76354   128.91782
   72    70 S   HC   _H21    51     1.09637   109.75448  -110.22150
   73    66 S   CT   _C4_    74     1.42037   118.41916     0.18767
   74    73 S   HC   _H9_    75     1.09449   107.61614   179.77532
   75    73 S   HC   _H10    76     1.09454   111.21753    62.41888
   76    73 S   HC   _H11    77     1.09453   111.19717   -62.88069
   77    54 S   OS   _O35    82     1.36349   124.33311  -179.91377
   78    70 S   NP   _N4_    52     1.51174   113.41461     8.10525
   79    78 S   H    _H7_    53     1.02865   108.78519  -167.83444
   80    78 S   CT   _C20    54     1.51782   111.81119    70.30130
   81    80 S   HC   _H22    55     1.09488   106.99769   145.37193
   82    80 S   HC   _H23    56     1.09434   108.73833    27.34959
  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
  15   8   2   1   1  17   6   5  22  19  14   7  18   8   9   4
   5   1  10   5   4   9   7   2  10   4  13   3   2   1   1   6
   8   5   3   2   1   7   4   3   3   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    55    56    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    51    52    53    55    56    58    60  
   38    39    40    41    51    55    56    58  
   36    37  
   37  
    0  
   39    40    41    42    47    65    78    80    43    44    49    45    46    51    55    56    58  
   40    41    42    43    45    55  
   41    42    43    45    55  
   42    47    48    54    59    65    70    78    79    80    81    82    43    44    49    50    45    46    51    52    53    55  
   47    48    54    57    59    65    70    71    72    78    80    43    44    49    45    46    51    66    77  
   44    49    50    45    46    51    47    65    70    78    79    80    81    82  
   49    50    45    78    80    81    82  
   46    51    52    53    55    56    58    47    49    65    70    71    72    78    79    80    81    82  
   51    52    53    55    70    78    79    80  
   48    54    57    59    65    70    64    67    77  
   54    57    65    77  
   50    78    80    81    82  
   80  
   52    53    55    56    58    60    70    78    79    80  
   53    55    56    58    78  
   55    56    58    78  
   57    59    65    66    64    67    68    69    77  
   56    58    60    61    62    63    78  
   58    60  
   59    65    70    66    73    64    67    68    69    77  
   60    61    62    63  
   65    70    71    72    78    66    73    74    75    76    64    67    77  
   61    62    63  
   62    63  
   63  
    0  
   67    68    69    77    65    66  
   70    71    72    78    79    80    66    73  
   73    74    75    76    70  
   68    69    77  
   69    77  
   77  
   71    72    78    79    80    81    82  
   72    78    79    80  
   78    79    80  
   74    75    76  
   75    76  
   76  
    0  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   79   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    55   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    45   268.000  1.529
   42    47   469.000  1.400
   42    65   469.000  1.400
   47    48   367.000  1.080
   47    54   469.000  1.400
   54    57   469.000  1.400
   54    77   450.000  1.364
   57    59   469.000  1.400
   57    64   450.000  1.364
   59    65   469.000  1.400
   59    66   450.000  1.364
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   367.000  1.471
   78    79   434.000  1.010
   78    80   367.000  1.471
   78    45   367.000  1.471
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    43   268.000  1.529
   43    44   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
   45    46   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    58   320.000  1.410
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   66    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   320.000  1.380
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    55    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    55    51    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.17500
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    47    70.00000  120.00000
   41    42    65    70.00000  120.00000
   41    43    80    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    49    50.00000  109.50000
   41    45    78    80.00000  111.20000
   41    45    46    37.50000  110.70000
   41    45    51    58.35000  112.70000
   42    47    48    35.00000  120.00000
   42    47    54    63.00000  120.00000
   42    65    59    63.00000  120.00000
   42    65    70    70.00000  120.00000
   47    54    57    63.00000  120.00000
   47    54    77    70.00000  120.00000
   54    47    48    35.00000  120.00000
   54    57    59    63.00000  120.00000
   54    57    64    70.00000  120.00000
   54    77    67   100.00000  112.36700
   57    59    65    63.00000  120.00000
   57    59    66    70.00000  120.00000
   57    64    67   100.00000  112.36700
   59    65    70    70.00000  120.00000
   59    66    73    75.00000  111.00000
   65    42    47    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    78    75.00000  110.83300
   70    78    79    35.00000  109.50000
   70    78    80    75.00000  113.01200
   70    78    45    75.00000  113.01200
   72    70    71    33.00000  107.80000
   78    70    71    35.00000  109.50000
   78    70    72    35.00000  109.50000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    43    80.00000  111.20000
   78    45    46    35.00000  109.50000
   78    45    51    80.00000  111.20000
   80    78    79    35.00000  109.50000
   80    43    44    37.50000  110.70000
   80    43    49    50.00000  109.50000
   82    80    81    33.00000  107.80000
   43    41    42    70.00000  112.17500
   43    80    81    37.50000  110.70000
   43    80    82    37.50000  110.70000
   43    49    50    55.00000  108.50000
   49    43    44    35.00000  109.50000
   45    41    42    70.00000  112.17500
   45    41    43    58.35000  112.70000
   45    78    79    35.00000  109.50000
   45    78    80    75.00000  113.01200
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    55    58.35000  112.70000
   51    45    46    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    58    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    58    60    60.00000  109.50000
   58    55    56    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   66    59    65    70.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    57    59    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    77    92.60000  111.55000
   69    67    68    33.00000  109.50000
   77    54    57    70.00000  120.00000
   77    67    68    35.00000  109.50000
   77    67    69    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    55    51   0.44750  1.0 1.0
   29    33    55    51  -0.17800 -1.0 2.0
   29    33    55    51   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    41    42  -0.03700  1.0 1.0
   33    38    41    42   0.37200 -1.0 2.0
   33    38    41    42  -0.47300  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    55    58    60   0.06250  1.0 1.0
   33    55    58    60  -0.01100 -1.0 2.0
   33    55    58    60   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    55    51   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    51   0.56750  1.0 1.0
   38    33    55    51  -0.07550 -1.0 2.0
   38    33    55    51   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58   0.62750  1.0 1.0
   38    33    55    58  -0.30950 -1.0 2.0
   38    33    55    58   0.27300  1.0 3.0
   38    41    42    47   0.04150 -1.0 2.0
   38    41    42    65   0.04150 -1.0 2.0
   38    41    43    80   0.56750  1.0 1.0
   38    41    43    80  -0.07550 -1.0 2.0
   38    41    43    80   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    49   0.86500  1.0 1.0
   38    41    43    49  -0.17500 -1.0 2.0
   38    41    43    49   0.20800  1.0 3.0
   38    41    45    78   1.36600  1.0 1.0
   38    41    45    78  -0.11450 -1.0 2.0
   38    41    45    78   0.24250  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41   -45    51   0.56750  1.0 1.0
   38    41   -45    51  -0.07550 -1.0 2.0
   38    41   -45    51   0.20000  1.0 3.0
   39    38    41    42  -0.64350  1.0 1.0
   39    38    41    42  -0.04200 -1.0 2.0
   39    38    41    42   0.19800  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.43200  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    42    47    48   3.62500 -1.0 2.0
   41    42    47    54   3.62500 -1.0 2.0
   41    42    65    59   3.62500 -1.0 2.0
   41    42    65    70   3.62500 -1.0 2.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    55   0.56750  1.0 1.0
   41    45    51    55  -0.07550 -1.0 2.0
   41    45    51    55   0.20000  1.0 3.0
   42    41    43    80  -0.03700  1.0 1.0
   42    41    43    80   0.37200 -1.0 2.0
   42    41    43    80  -0.47300  1.0 3.0
   42    41    43    44   0.43200  1.0 3.0
   42    41    43    49   1.13150  1.0 1.0
   42    41    43    49  -1.01400 -1.0 2.0
   42    41    45    78   1.24050  1.0 1.0
   42    41    45    78   0.48100 -1.0 2.0
   42    41    45    78   1.08150  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    51  -0.03700  1.0 1.0
   42    41    45    51   0.37200 -1.0 2.0
   42    41    45    51  -0.47300  1.0 3.0
   42    47    54    57   3.62500 -1.0 2.0
   42    47    54    77   3.62500 -1.0 2.0
   42    65    70    71   0.00000  1.0 1.0
   42    65    70    72   0.00000  1.0 1.0
   42    65   -70    78  -0.46400 -1.0 2.0
   47    42    65    59   3.62500 -1.0 2.0
   47    42    65    70   3.62500 -1.0 2.0
   47    54   -57    59   3.62500 -1.0 2.0
   47    54    57    64   3.62500 -1.0 2.0
   47    54    77    67   1.63200 -1.0 2.0
   48    47    54    57   3.62500 -1.0 2.0
   48    47    54    77   3.62500 -1.0 2.0
   54    57    59    65   3.62500 -1.0 2.0
   54    57    59    66   3.62500 -1.0 2.0
   54    57   -64    67   1.63200 -1.0 2.0
   57    54   -77    67   1.63200 -1.0 2.0
   57    59   -65    42   3.62500 -1.0 2.0
   57    59    65    70   3.62500 -1.0 2.0
   57    59    66    73   1.63200 -1.0 2.0
   57    64    67    68   0.08050  1.0 3.0
   57    64    67    69   0.08050  1.0 3.0
   57    64   -67    77  -0.25600  1.0 1.0
   57    64   -67    77  -0.40050 -1.0 2.0
   57    64   -67    77   0.34700  1.0 3.0
   59    57    64    67   1.63200 -1.0 2.0
   59    65    70    71   0.00000  1.0 1.0
   59    65    70    72   0.00000  1.0 1.0
   59    65    70    78  -0.46400 -1.0 2.0
   59    66    73    74   0.08050  1.0 3.0
   59    66    73    75   0.08050  1.0 3.0
   59    66    73    76   0.08050  1.0 3.0
   65    42    47    48   3.62500 -1.0 2.0
   65    42   -47    54   3.62500 -1.0 2.0
   65    59    66    73   1.63200 -1.0 2.0
   65    70    78    79   0.17350  1.0 3.0
   65    70    78    80   0.03550  1.0 1.0
   65    70    78    80   0.09800 -1.0 2.0
   65    70    78    45   0.03550  1.0 1.0
   65    70    78    45   0.09800 -1.0 2.0
   70    78    80    81   0.15000  1.0 3.0
   70    78    80    82   0.15000  1.0 3.0
   70    78    80    43   0.47100  1.0 1.0
   70    78   -45    41   0.47100  1.0 1.0
   70    78    45    46   0.15000  1.0 3.0
   70    78    45    51   0.47100  1.0 1.0
   71    70    78    79   0.13050  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    45   0.15000  1.0 3.0
   72    70    78    79   0.13050  1.0 3.0
   72    70    78    80   0.15000  1.0 3.0
   72    70    78    45   0.15000  1.0 3.0
   78    80   -43    41   1.36600  1.0 1.0
   78    80   -43    41  -0.11450 -1.0 2.0
   78    80   -43    41   0.24250  1.0 3.0
   78    80    43    44   0.19200  1.0 3.0
   78    80    43    49   1.69300  1.0 1.0
   78    80    43    49  -0.48450 -1.0 2.0
   78    45    51    52   0.19200  1.0 3.0
   78    45    51    53   0.19200  1.0 3.0
   78    45    51    55   1.36600  1.0 1.0
   78    45    51    55  -0.11450 -1.0 2.0
   78    45    51    55   0.24250  1.0 3.0
   79    78    80    81   0.13050  1.0 3.0
   79    78    80    82   0.13050  1.0 3.0
   79    78    80    43   0.17350  1.0 3.0
   79    78    45    41   0.17350  1.0 3.0
   79    78    45    46   0.13050  1.0 3.0
   79    78    45    51   0.17350  1.0 3.0
   80    78   -45    41   0.47100  1.0 1.0
   80    78    45    46   0.15000  1.0 3.0
   80    78    45    51   0.47100  1.0 1.0
   80    43    49    50  -0.11600  1.0 1.0
   80    43    49    50  -0.09450 -1.0 2.0
   80    43    49    50   0.21250  1.0 3.0
   81    80    43    41   0.15000  1.0 3.0
   81    80    43    44   0.15000  1.0 3.0
   81    80    43    49   0.23400  1.0 3.0
   82    80    43    41   0.15000  1.0 3.0
   82    80    43    44   0.15000  1.0 3.0
   82    80    43    49   0.23400  1.0 3.0
   43    41    42    47   0.04150 -1.0 2.0
   43    41    42    65   0.04150 -1.0 2.0
   43    41   -45    78   1.36600  1.0 1.0
   43    41   -45    78  -0.11450 -1.0 2.0
   43    41   -45    78   0.24250  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    51   0.56750  1.0 1.0
   43    41    45    51  -0.07550 -1.0 2.0
   43    41    45    51   0.20000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   45    41    42    47   0.04150 -1.0 2.0
   45    41   -42    65   0.04150 -1.0 2.0
   45    41   -43    80   0.56750  1.0 1.0
   45    41   -43    80  -0.07550 -1.0 2.0
   45    41   -43    80   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    49   0.86500  1.0 1.0
   45    41    43    49  -0.17500 -1.0 2.0
   45    41    43    49   0.20800  1.0 3.0
   45    78    80    81   0.15000  1.0 3.0
   45    78    80    82   0.15000  1.0 3.0
   45    78   -80    43   0.47100  1.0 1.0
   45    51   -55    33   0.56750  1.0 1.0
   45    51   -55    33  -0.07550 -1.0 2.0
   45    51   -55    33   0.20000  1.0 3.0
   45    51    55    56   0.15000  1.0 3.0
   45    51    55    58   0.62750  1.0 1.0
   45    51    55    58  -0.30950 -1.0 2.0
   45    51    55    58   0.27300  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    55   0.15000  1.0 3.0
   51    55    58    60   0.06250  1.0 1.0
   51    55    58    60  -0.01100 -1.0 2.0
   51    55    58    60   0.28050  1.0 3.0
   52    51    55    33   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.23400  1.0 3.0
   53    51    55    33   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    58   0.23400  1.0 3.0
   55    33    38    39   0.62750  1.0 1.0
   55    33    38    39  -0.30950 -1.0 2.0
   55    33    38    39   0.27300  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33   -38    41   0.56750  1.0 1.0
   55    33   -38    41  -0.07550 -1.0 2.0
   55    33   -38    41   0.20000  1.0 3.0
   55    58    60    61   0.37050  1.0 3.0
   55    58    60    62   0.37050  1.0 3.0
   55    58    60    63   0.37050  1.0 3.0
   56    55    58    60   0.37050  1.0 3.0
   66    59    65    42   3.62500 -1.0 2.0
   66    59    65    70   3.62500 -1.0 2.0
   64    57    59    65   3.62500 -1.0 2.0
   64    57    59    66   3.62500 -1.0 2.0
   64    67   -77    54  -0.25600  1.0 1.0
   64    67   -77    54  -0.40050 -1.0 2.0
   64    67   -77    54   0.34700  1.0 3.0
   68    67    77    54   0.08050  1.0 3.0
   69    67    77    54   0.08050  1.0 3.0
   77    54    57    59   3.62500 -1.0 2.0
   77    54   -57    64   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   47    65    42    41   4.00000 -1.0 2.0
   54    48    47    42   1.10000 -1.0 2.0
   57    77    54    47   4.00000 -1.0 2.0
   59    64    57    54   4.00000 -1.0 2.0
   65    66    59    57   4.00000 -1.0 2.0
   59    70    65    42   4.00000 -1.0 2.0
END
