* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    258     477
    1     0 S   NP   _N1_     1    28.98930    94.88258   -26.29602
    2     1 S   H    _HN1     2     1.02946    82.76088    -2.06602
    3     1 S   H    _H1_     3     1.02826    24.85811  -170.31006
    4     1 S   H    _H2_     4     1.02795   121.91451  -109.23391
    5     1 S   CT   _CA1     5     1.50126   116.38542   107.17698
    6     5 S   HC   _HA1     6     1.09573   105.15755    85.76594
    7     5 S   CO3  _C1_     7     1.53766   112.46036   -34.44267
    8     7 S   O2Z  _O11     8     1.26377   115.00596   -42.63300
    9     7 S   O2Z  _O12     9     1.26234   114.94368   136.35533
   10     5 S   CT   _CB1    10     1.53054   107.39951  -156.26621
   11    10 S   HC   HB11    11     1.09843   109.33060   -49.26054
   12    10 S   HC   HB12    12     1.09810   110.47829    67.33234
   13    10 S   CT   _CG1    13     1.53025   112.64463  -170.18346
   14    13 S   HC   HG11    14     1.09566   110.75062   -67.51694
   15    13 S   HC   HG12    15     1.09668   109.68415    51.73625
   16    13 S   C    _CD1    16     1.51814   111.93381   172.23575
   17    16 S   O    _OE1    17     1.22762   123.15108    13.33720
   18    16 S   N    _N2_    18     1.38640   111.87333  -166.66119
   19    18 S   H    _HN2    19     1.01574   119.02194     0.94771
   20    18 S   CT1  _CA2    20     1.46237   123.38384   176.48933
   21    20 S   HC   _HA2    21     1.09738   109.24511     8.65903
   22    20 S   C    _C2_    22     1.53716   108.94146  -106.87781
   23    22 S   O    _O2_    23     1.23090   122.22271  -149.25560
   24    20 S   CT   _CB2    32     1.53359   111.65906   130.64223
   25    24 S   HC   HB21    33     1.09508   109.80368    56.74427
   26    24 S   HC   HB22    34     1.09509   110.05956   175.79430
   27    22 S   N    _N3_    24     1.38307   113.92534    38.24757
   28    27 S   H    _HN3    25     1.01532   119.62189    -3.13962
   29    24 S   S    _SG2    35     1.82640   111.54273   -64.14779
   30    27 S   CT   _CA3    26     1.45280   123.31230   177.25819
   31    30 S   HC   HA31    27     1.09546   107.50277   -65.14441
   32    30 S   HC   HA32    28     1.09555   108.01469    51.32352
   33    29 S   CT   _C19    36     1.86645    99.89563  -168.97341
   34    33 S   HC   _H6_    37     1.09433   102.40761    56.79412
   35    30 S   CO3  _C3_    29     1.52985   114.02487   173.33135
   36    35 S   O2Z  _O31    30     1.26388   116.07951    -0.46478
   37    35 S   O2Z  _O32    31     1.26425   114.41633   179.59652
   38    33 S   CT   _C20    38     1.56999   113.75003   -61.77101
   39    38 S   OM   _O37    39     1.32913   109.11266   -62.09125
   40    38 S   HC   _H7_    40     1.10020   105.32908    65.46556
   41    38 S   CT   _C12    41     1.59789   108.90936   177.86265
   42    41 S   CM   _C9_    42     1.55136   116.89428   179.49876
   43    41 S   CT   _C13    55     1.57679   108.47311    59.65692
   44    43 S   HC   _H3_    56     1.09973   108.49844    70.10199
   45    41 S   CT   _C22    79     1.56757   106.01473   -65.15262
   46    45 S   HC   _H22    80     1.09094   113.51675    65.74735
   47    45 S   HC   _H23    81     1.09787   110.35117   -54.02810
   48    45 S   HC   _H24    82     1.09232   113.96614  -172.61892
   49    42 S   CM   _C10    43     1.34288   123.30829    15.92724
   50    49 S   HC   _H15    44     1.08339   122.55000     1.28557
   51    43 S   CT   _C17    57     1.53624   115.99106   -53.99720
   52    49 S   CO4  _C11    45     1.46874   122.08215  -177.90286
   53    52 S   O    _O33    46     1.22619   120.97333   179.54372
   54    51 S   CO4  _C16    58     1.52014    99.40421   -84.61795
   55    54 S   O    _O36    59     1.22098   126.62709   156.37161
   56    33 S   CT   _C18    61     1.54512   109.22736   170.53353
   57    56 S   HC   _H5_    62     1.09890   107.25018    53.05101
   58    51 S   CT   _C21    65     1.55104   112.17219   164.37193
   59    58 S   HC   _H19    66     1.09567   110.85254   -59.36411
   60    58 S   HC   _H20    67     1.09646   110.97319  -179.21341
   61    58 S   HC   _H21    68     1.09486   113.17486    61.79546
   62    52 S   OS   _O34    47     1.35963   116.64614    -0.03426
   63    81 S   OS   _O35    60     1.44043   111.66616  -131.12722
   64    56 S   OH   _O38    63     1.43262   110.44223   -60.93045
   65    64 S   HO   _H18    64     0.97308   107.83156   -64.58127
   66    62 S   CM   _C7_    48     1.42008   121.99949    -3.02362
   67    42 S   CM   _C8_    49     1.46923   117.43817  -164.64643
   68    66 S   CT   _C5_    69     1.51884   112.42159  -175.00609
   69    68 S   HC   _H11    70     1.09443   110.59262   166.95058
   70    67 S   CT   _C15    50     1.51708   118.11396    -3.30932
   71    70 S   HC   _H16    51     1.09627   109.93836   153.99044
   72    70 S   HC   _H17    52     1.09698   109.07075   -91.35258
   73    68 S   CT   _C4_    71     1.52928   110.39577   -73.96778
   74    73 S   HC   _H8_    72     1.09578   111.67937    62.28378
   75    73 S   HC   _H9_    73     1.09569   110.94870   -58.19851
   76    73 S   HC   _H10    74     1.09540   110.64575  -177.66326
   77    68 S   CT   _C6_    75     1.53267   111.61845    49.42595
   78    77 S   HC   _H12    76     1.09561   111.95505   -65.15904
   79    77 S   HC   _H13    77     1.09559   110.45832   175.04753
   80    77 S   HC   _H14    78     1.09560   110.92747    55.67552
   81    70 S   CT   _C14    53     1.53033   116.00404    34.16401
   82    81 S   HC   _H4_    54     1.09713   107.76605   111.76306
  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  20  19  23   9   7   2   1   1
   7   4  14   5   2  12   4   9   3   6   2   1   1   7   6   1
   1  15   9  10   8   4   3   2   7   3   2   1   3   2   1   1
   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    41    51    56    57    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    51    54    56    57    64    65    58    45  
   38    39    40    41    51    56    57    64  
   36    37  
   37  
    0  
   39    40    41    42    49    67    81    43    44    51    56    57    64    45    46    47    48  
   40    41    42    43    56    45  
   41    42    43    56    45  
   42    49    50    52    66    67    70    81    82    43    44    51    54    63    56    58    45    46    47    48  
   49    50    52    53    62    66    67    70    71    72    81    43    44    51    68    45    46    47    48  
   44    51    54    55    63    56    57    64    58    59    60    61    45    46    47    48    49    67    70    71    72    81    82  
   51    54    63    56    58    45    70    81    82  
   46    47    48    49    51    67    81  
   47    48  
   48  
    0  
   50    52    53    62    66    67    70  
   52    53    62    67  
   54    55    63    56    57    64    65    58    59    60    61    70    81    82  
   53    62    66    67    68  
   62    66  
   55    63    56    57    64    58    59    60    61    70    81    82  
   63    56    58    81  
   57    64    65    58    59    60    61    63    81  
   64    65    58  
   59    60    61    63    64    81  
   60    61  
   61  
    0  
   66    67    70    68    69    73    77  
   67    70    71    72    81    82  
   65  
    0  
   67    70    71    72    81    68    69    73    74    75    76    77    78    79    80  
   70    71    72    81    82    68    69    73    77  
   69    73    74    75    76    77    78    79    80    70  
   73    74    75    76    77    78    79    80  
   71    72    81    82  
   72    81    82  
   81    82  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   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   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   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   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   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    56   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    49   549.000  1.340
   42    67   380.000  1.444
   49    50   340.000  1.080
   49    52   320.000  1.462
   52    53   570.000  1.229
   52    62   214.000  1.327
   62    66   440.000  1.360
   66    67   549.000  1.340
   66    68   317.000  1.510
   67    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    81   268.000  1.529
   81    82   340.000  1.090
   81    43   268.000  1.529
   81    63   320.000  1.410
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    54   317.000  1.522
   51    56   268.000  1.529
   51    58   268.000  1.529
   54    55   570.000  1.229
   54    63   214.000  1.327
   56    57   340.000  1.090
   56    64   320.000  1.410
   64    65   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   68    69   340.000  1.090
   68    73   268.000  1.529
   68    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
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    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    51    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.02700
   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    49    70.00000  124.00000
   41    42    67    70.00000  124.00000
   41    43    81    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    51    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    50    35.00000  120.00000
   42    49    52    65.00000  118.96000
   42    67    66    70.00000  123.01800
   42    67    70    70.00000  124.00000
   49    52    53    80.00000  123.72100
   49    52    62    90.00000  111.29400
   52    49    50    40.00000  117.72500
   52    62    66    90.00000  114.22900
   62    52    53    83.00000  123.40000
   62    66    67    80.00000  120.01400
   62    66    68    85.00000  112.85300
   66    67    70    70.00000  124.00000
   66    68    69    35.00000  109.50000
   66    68    73    70.00000  112.02700
   66    68    77    70.00000  112.02700
   67    42    49    70.00000  123.01800
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    81    70.00000  112.02700
   70    81    82    37.50000  110.70000
   70    81    43    58.35000  112.70000
   70    81    63    50.00000  109.50000
   72    70    71    33.00000  107.80000
   81    70    71    37.50000  110.70000
   81    70    72    37.50000  110.70000
   81    43    44    37.50000  110.70000
   81    43    51    58.35000  112.70000
   81    63    54    83.00000  116.90000
   43    41    42    70.00000  112.02700
   43    81    82    37.50000  110.70000
   43    51    54    63.00000  111.10000
   43    51    56    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    80.00000  120.40000
   51    54    63    81.00000  111.40000
   51    56    57    37.50000  110.70000
   51    56    64    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   63    81    82    35.00000  109.50000
   63    81    43    50.00000  109.50000
   63    54    55    83.00000  123.40000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    51    54    63.00000  111.10000
   56    64    65    55.00000  108.50000
   64    56    57    35.00000  109.50000
   58    51    54    63.00000  111.10000
   58    51    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   68    66    67    70.00000  124.00000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    80    37.50000  110.70000
   73    68    69    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    69    37.50000  110.70000
   77    68    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   45    41    42    70.00000  112.02700
   45    41    43    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
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   0.56750  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    56    51   0.44750  1.0 1.0
   29    33    56    51  -0.17800 -1.0 2.0
   29    33    56    51   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    64   0.56750  1.0 1.0
   29    33    56    64  -0.07550 -1.0 2.0
   29    33    56    64   0.20000  1.0 3.0
   33    38    41    42   0.34400  1.0 1.0
   33    38    41    42   0.09450 -1.0 2.0
   33    38    41    42   0.11100  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    56    64    65  -0.11600  1.0 1.0
   33    56    64    65  -0.09450 -1.0 2.0
   33    56    64    65   0.21250  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    56    51   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    64   0.23400  1.0 3.0
   38    33    56    51   0.56750  1.0 1.0
   38    33    56    51  -0.07550 -1.0 2.0
   38    33    56    51   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    64   0.86500  1.0 1.0
   38    33    56    64  -0.17500 -1.0 2.0
   38    33    56    64   0.20800  1.0 3.0
   38    41    42    49   0.09850  1.0 1.0
   38    41    42    49   0.15250 -1.0 2.0
   38    41    42    49  -0.50650  1.0 3.0
   38    41    42    67   0.98200  1.0 1.0
   38    41    42    67  -0.11900 -1.0 2.0
   38    41    42    67   0.24250  1.0 3.0
   38    41    43    81   0.56750  1.0 1.0
   38    41    43    81  -0.07550 -1.0 2.0
   38    41    43    81   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41   -43    51   0.56750  1.0 1.0
   38    41   -43    51  -0.07550 -1.0 2.0
   38    41   -43    51   0.20000  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    48   0.15000  1.0 3.0
   39    38    41    42   0.61850  1.0 1.0
   39    38    41    42  -0.22750 -1.0 2.0
   39    38    41    42   0.15300  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   0.15000  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    49    50   7.00000 -1.0 2.0
   41    42    49    52   7.00000 -1.0 2.0
   41    42    67    66  -0.18600  1.0 3.0
   41    42    67    70   0.35650  1.0 1.0
   41    42    67    70   0.31450 -1.0 2.0
   41    43    51    54  -0.95700  1.0 1.0
   41    43    51    54  -0.18200 -1.0 2.0
   41    43    51    54   0.29450  1.0 3.0
   41    43    51    56   0.56750  1.0 1.0
   41    43    51    56  -0.07550 -1.0 2.0
   41    43    51    56   0.20000  1.0 3.0
   41    43    51    58   0.56750  1.0 1.0
   41    43    51    58  -0.07550 -1.0 2.0
   41    43    51    58   0.20000  1.0 3.0
   42    41    43    81   0.34400  1.0 1.0
   42    41    43    81   0.09450 -1.0 2.0
   42    41    43    81   0.11100  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    51   0.34400  1.0 1.0
   42    41    43    51   0.09450 -1.0 2.0
   42    41    43    51   0.11100  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   42    49    52    53   1.00000 -1.0 2.0
   42    49    52    62  -0.56150  1.0 1.0
   42    49    52    62   2.19150 -1.0 2.0
   42    67    70    71   0.00000  1.0 1.0
   42    67    70    72   0.00000  1.0 1.0
   42    67   -70    81   0.98200  1.0 1.0
   42    67   -70    81  -0.11900 -1.0 2.0
   42    67   -70    81   0.24250  1.0 3.0
   49    42    67    66   0.28850  1.0 1.0
   49    42    67    66   2.61350 -1.0 2.0
   49    42    67    66   0.78400  1.0 3.0
   49    42    67    70  -0.18600  1.0 3.0
   49    52   -62    66   2.00000 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    62   1.63100 -1.0 2.0
   52    62    66    67  -1.93650  1.0 1.0
   52    62    66    67   2.17750 -1.0 2.0
   52    62    66    67  -0.40250  1.0 3.0
   52    62    66    68   2.00000 -1.0 2.0
   53    52    62    66   3.00000 -1.0 2.0
   62    66   -67    42   7.00000 -1.0 2.0
   62    66    67    70   7.00000 -1.0 2.0
   62    66    68    69   0.00000  1.0 1.0
   62    66    68    73   0.09700  1.0 1.0
   62    66    68    73   0.15600 -1.0 2.0
   62    66    68    73  -0.50800  1.0 3.0
   62    66    68    77   0.09700  1.0 1.0
   62    66    68    77   0.15600 -1.0 2.0
   62    66    68    77  -0.50800  1.0 3.0
   66    67    70    71   0.00000  1.0 1.0
   66    67    70    72   0.00000  1.0 1.0
   66    67    70    81   0.09850  1.0 1.0
   66    67    70    81   0.15250 -1.0 2.0
   66    67    70    81  -0.50650  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    68    77    78   0.15000  1.0 3.0
   66    68    77    79   0.15000  1.0 3.0
   66    68    77    80   0.15000  1.0 3.0
   67    42    49    50   7.00000 -1.0 2.0
   67    42   -49    52   7.00000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    73   0.09850  1.0 1.0
   67    66    68    73   0.15250 -1.0 2.0
   67    66    68    73  -0.50650  1.0 3.0
   67    66    68    77   0.09850  1.0 1.0
   67    66    68    77   0.15250 -1.0 2.0
   67    66    68    77  -0.50650  1.0 3.0
   67    70    81    82   0.15000  1.0 3.0
   67    70    81    43   0.34400  1.0 1.0
   67    70    81    43   0.09450 -1.0 2.0
   67    70    81    43   0.11100  1.0 3.0
   67    70    81    63   0.61850  1.0 1.0
   67    70    81    63  -0.22750 -1.0 2.0
   67    70    81    63   0.15300  1.0 3.0
   70    81   -43    41   0.56750  1.0 1.0
   70    81   -43    41  -0.07550 -1.0 2.0
   70    81   -43    41   0.20000  1.0 3.0
   70    81    43    44   0.15000  1.0 3.0
   70    81    43    51   0.56750  1.0 1.0
   70    81    43    51  -0.07550 -1.0 2.0
   70    81    43    51   0.20000  1.0 3.0
   70    81    63    54  -0.25900  1.0 1.0
   70    81    63    54  -0.47000 -1.0 2.0
   70    81    63    54   0.11750  1.0 3.0
   71    70    81    82   0.15000  1.0 3.0
   71    70    81    43   0.15000  1.0 3.0
   71    70    81    63   0.23400  1.0 3.0
   72    70    81    82   0.15000  1.0 3.0
   72    70    81    43   0.15000  1.0 3.0
   72    70    81    63   0.23400  1.0 3.0
   81    43   -51    54  -0.95700  1.0 1.0
   81    43   -51    54  -0.18200 -1.0 2.0
   81    43   -51    54   0.29450  1.0 3.0
   81    43    51    56   0.56750  1.0 1.0
   81    43    51    56  -0.07550 -1.0 2.0
   81    43    51    56   0.20000  1.0 3.0
   81    43    51    58   0.56750  1.0 1.0
   81    43    51    58  -0.07550 -1.0 2.0
   81    43    51    58   0.20000  1.0 3.0
   82    81    43    41   0.15000  1.0 3.0
   82    81    43    44   0.15000  1.0 3.0
   82    81    43    51   0.15000  1.0 3.0
   82    81    63    54   0.08050  1.0 3.0
   43    41    42    49   0.09850  1.0 1.0
   43    41    42    49   0.15250 -1.0 2.0
   43    41    42    49  -0.50650  1.0 3.0
   43    41   -42    67   0.98200  1.0 1.0
   43    41   -42    67  -0.11900 -1.0 2.0
   43    41   -42    67   0.24250  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    48   0.15000  1.0 3.0
   43    81   -63    54  -0.25900  1.0 1.0
   43    81   -63    54  -0.47000 -1.0 2.0
   43    81   -63    54   0.11750  1.0 3.0
   43    51    54    55   0.30150 -1.0 2.0
   43    51   -54    63   0.36750  1.0 3.0
   43    51   -56    33   0.56750  1.0 1.0
   43    51   -56    33  -0.07550 -1.0 2.0
   43    51   -56    33   0.20000  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    64   0.86500  1.0 1.0
   43    51    56    64  -0.17500 -1.0 2.0
   43    51    56    64   0.20800  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    54  -0.11250  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54   -63    81   1.63150  1.0 1.0
   51    54   -63    81   2.92000 -1.0 2.0
   51    56    64    65  -0.11600  1.0 1.0
   51    56    64    65  -0.09450 -1.0 2.0
   51    56    64    65   0.21250  1.0 3.0
   54    51    56    33  -0.95700  1.0 1.0
   54    51    56    33  -0.18200 -1.0 2.0
   54    51    56    33   0.29450  1.0 3.0
   54    51    56    57  -0.11250  1.0 3.0
   54    51    56    64  -0.09450  1.0 1.0
   54    51    56    64  -1.12950 -1.0 2.0
   54    51    56    64   0.54000  1.0 3.0
   54    51    58    59  -0.11250  1.0 3.0
   54    51    58    60  -0.11250  1.0 3.0
   54    51    58    61  -0.11250  1.0 3.0
   55    54    63    81   3.00000 -1.0 2.0
   63    81    43    41   0.62750  1.0 1.0
   63    81    43    41  -0.30950 -1.0 2.0
   63    81    43    41   0.27300  1.0 3.0
   63    81    43    44   0.23400  1.0 3.0
   63    81   -43    51   0.62750  1.0 1.0
   63    81   -43    51  -0.30950 -1.0 2.0
   63    81   -43    51   0.27300  1.0 3.0
   56    33    38    39   0.62750  1.0 1.0
   56    33    38    39  -0.30950 -1.0 2.0
   56    33    38    39   0.27300  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   56    51    54    55   0.30150 -1.0 2.0
   56    51    54    63   0.36750  1.0 3.0
   56    51    58    59   0.15000  1.0 3.0
   56    51    58    60   0.15000  1.0 3.0
   56    51    58    61   0.15000  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51    54    63   0.36750  1.0 3.0
   58    51    56    33   0.56750  1.0 1.0
   58    51    56    33  -0.07550 -1.0 2.0
   58    51    56    33   0.20000  1.0 3.0
   58    51    56    57   0.15000  1.0 3.0
   58    51    56    64   0.86500  1.0 1.0
   58    51    56    64  -0.17500 -1.0 2.0
   58    51    56    64   0.20800  1.0 3.0
   68    66    67    42   7.00000 -1.0 2.0
   68    66    67    70   7.00000 -1.0 2.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   69    68    77    78   0.15000  1.0 3.0
   69    68    77    79   0.15000  1.0 3.0
   69    68    77    80   0.15000  1.0 3.0
   73    68    77    78   0.15000  1.0 3.0
   73    68    77    79   0.15000  1.0 3.0
   73    68    77    80   0.15000  1.0 3.0
   77    68    73    74   0.15000  1.0 3.0
   77    68    73    75   0.15000  1.0 3.0
   77    68    73    76   0.15000  1.0 3.0
   45    41    42    49   0.09850  1.0 1.0
   45    41    42    49   0.15250 -1.0 2.0
   45    41    42    49  -0.50650  1.0 3.0
   45    41    42    67   0.98200  1.0 1.0
   45    41    42    67  -0.11900 -1.0 2.0
   45    41    42    67   0.24250  1.0 3.0
   45    41    43    81   0.56750  1.0 1.0
   45    41    43    81  -0.07550 -1.0 2.0
   45    41    43    81   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    51   0.56750  1.0 1.0
   45    41    43    51  -0.07550 -1.0 2.0
   45    41    43    51   0.20000  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
   41    67    42    49   1.10000 -1.0 2.0
   52    50    49    42   1.10000 -1.0 2.0
   49    62    52    53  10.50000 -1.0 2.0
   62    68    66    67   1.10000 -1.0 2.0
   42    70    67    66   1.10000 -1.0 2.0
   51    63    54    55  10.50000 -1.0 2.0
END
