* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    229     433
    1     0 S   NP   _N1_     1    28.11462    96.38602   -23.05458
    2     1 S   H    _HN1     2     1.02958    76.83621    -3.79251
    3     1 S   H    _H1_     3     1.02837    33.34685   150.88245
    4     1 S   H    _H2_     4     1.02778   105.17160  -109.52292
    5     1 S   CT   _CA1     5     1.50133   136.32880   102.08048
    6     5 S   HC   _HA1     6     1.09577   105.21124    85.47404
    7     5 S   CO3  _C1_     7     1.53774   112.28910   -34.70308
    8     7 S   O2Z  _O11     8     1.26365   115.00100   -45.53864
    9     7 S   O2Z  _O12     9     1.26228   114.91759   133.46072
   10     5 S   CT   _CB1    10     1.53086   107.40859  -156.66025
   11    10 S   HC   HB11    11     1.09831   109.31083   -50.56230
   12    10 S   HC   HB12    12     1.09816   110.44706    65.97319
   13    10 S   CT   _CG1    13     1.53034   112.69196  -171.61770
   14    13 S   HC   HG11    14     1.09593   110.52525   -64.68954
   15    13 S   HC   HG12    15     1.09657   109.90421    54.53262
   16    13 S   C    _CD1    16     1.51847   112.22071   174.88458
   17    16 S   O    _OE1    17     1.22768   123.25300     1.75022
   18    16 S   N    _N2_    18     1.38556   111.79793  -178.24353
   19    18 S   H    _HN2    19     1.01571   119.11462     3.98880
   20    18 S   CT1  _CA2    20     1.45846   122.78604   177.82867
   21    20 S   HC   _HA2    21     1.09744   108.80014    25.45008
   22    20 S   C    _C2_    22     1.52855   107.00793   -91.47609
   23    22 S   O    _O2_    23     1.22969   123.05224   -29.35223
   24    20 S   CT   _CB2    32     1.53121   112.23846   148.58544
   25    24 S   HC   HB21    33     1.09509   109.97611    52.53657
   26    24 S   HC   HB22    34     1.09184   110.00596   171.46268
   27    22 S   N    _N3_    24     1.38491   112.52702   153.02352
   28    27 S   H    _HN3    25     1.01655   120.34833    -0.94688
   29    24 S   S    _SG2    35     1.82431   110.58059   -68.51559
   30    27 S   CT   _CA3    26     1.45318   122.47001  -179.89165
   31    30 S   HC   HA31    27     1.09552   107.75594   -58.22753
   32    30 S   HC   HA32    28     1.09564   107.68381    58.06547
   33    29 S   CT   _C11    36     1.85206   100.55176  -176.76275
   34    30 S   CO3  _C3_    29     1.52867   114.28485   179.80218
   35    34 S   O2Z  _O31    30     1.26339   116.06695    -0.17246
   36    34 S   O2Z  _O32    31     1.26428   114.42801   179.51786
   37    33 S   CM   _C12    37     1.49629   107.77736   177.31591
   38    37 S   HC   _H12    38     1.08286   123.96526    61.83458
   39    33 S   CM   _C10    60     1.54018   111.70859   -58.99564
   40    37 S   CMA  _C13    39     1.33714   112.34749  -119.56018
   41    40 S   OM   _O38    40     1.25729   134.60217  -178.74695
   42    39 S   CT   _C22    61     1.55666   117.11033   -59.91475
   43    42 S   OM   _O39    62     1.32506   107.51513   -97.95787
   44    42 S   HC   _H20    63     1.10388   105.25218   135.11903
   45    42 S   HC   _H21    64     1.09881   107.45775    30.20837
   46    40 S   CT   _C14    41     1.51799   107.75577     1.81984
   47    46 S   CT   _C15    42     1.54890   115.53005  -116.99725
   48    47 S   HC   _H13    43     1.09833   109.16452   -62.75214
   49    47 S   HC   _H14    44     1.09819   108.89501  -177.25590
   50    33 S   OS   _O35    76     1.43860   108.87558    65.22859
   51    46 S   CT   _C21    77     1.53964   112.12137   116.10327
   52    51 S   HC   _H17    78     1.09463   110.92209  -171.10468
   53    51 S   HC   _H18    79     1.09517   112.08195    68.15445
   54    51 S   HC   _H19    80     1.09666   111.10272   -53.34252
   55    47 S   CT   _C16    45     1.53758   115.11642    61.01083
   56    55 S   HC   _H4_    46     1.09484   111.22205   -30.78907
   57    55 S   CT   _C17    47     1.53389   115.60205    99.41709
   58    57 S   HC   _H5_    48     1.10027   107.95686    44.19518
   59    57 S   CM   _C18    49     1.49933    98.57140   153.66946
   60    57 S   CT   _C8_    56     1.54604   118.38486   -78.61932
   61    60 S   HC   _H3_    57     1.09797   107.90654  -159.52753
   62    59 S   CO4  _C20    50     1.48025   107.61457   -29.48528
   63    62 S   O    _O36    51     1.21731   127.27435  -166.15335
   64    59 S   CM   _C19    53     1.33595   131.53150   149.47797
   65    64 S   HC   _H15    54     1.08371   121.79110     0.90135
   66    64 S   HC   _H16    55     1.08558   121.45494  -179.27126
   67    60 S   CM   _C9_    58     1.50917   115.81708   -44.11100
   68    67 S   HC   _H11    59     1.09331   110.43369   -95.55395
   69    60 S   OS   _O34    65     1.44607   110.60451    85.48105
   70    55 S   OS   _O37    52     1.45045   107.71179  -145.45430
   71    69 S   CO4  _C7_    66     1.36317   116.63423    84.96421
   72    71 S   O    _O33    67     1.22365   126.40976     2.48443
   73    71 S   CM   _C5_    68     1.48266   110.23216  -177.01187
   74    73 S   CM   _C6_    69     1.34064   116.82737  -147.79522
   75    74 S   HC   _H9_    70     1.08538   120.92979  -177.74580
   76    74 S   HC   _H10    71     1.08538   122.32502     2.45750
   77    73 S   CT   _C4_    72     1.49312   119.82407    36.00885
   78    77 S   HC   _H6_    73     1.09227   111.18767   -70.51814
   79    77 S   HC   _H7_    74     1.09457   110.12792    50.10112
   80    77 S   HC   _H8_    75     1.09524   111.80068   169.31423
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   2   1   1  10   5  13  11   4   7   3   2   1  12  15   7
   6   6   4   2   1   1  12   6  14   8  10  10   4   5   2   3
   1   1   3   1   5   1   9   3   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    46    67    39    42    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    60    67    68    39    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    40    41    46    47    67    39    42    50    51  
   40    41    46    39    50  
   42    43    44    45    69    50    40    46    57    60    61    67    68  
   41    46    47    48    49    55    50    51    52    53    54  
   46    47    50    51  
   43    44    45    50    60    67    68  
   44    45    67  
   45    67  
   67  
   47    48    49    55    56    57    70    50    51    52    53    54  
   48    49    55    56    57    58    59    62    70    60    50    51    52    53    54  
   49    55    56    57    70    50    51  
   55    56    57    70    50    51  
   51    52    53    54    55    67  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    62    63    70    64    60    61    67    69  
   57    58    59    62    70    60  
   58    59    62    63    70    64    65    66    60    61    67    68    69    71  
   59    62    70    64    60    61    67    69  
   62    63    70    64    65    66    60    61    67    69  
   61    67    68    69    71    72    73    62    64    70  
   67    68    69    71  
   63    70    64    65    66  
   70    64  
   65    66    70  
   66  
    0  
   68    69    71  
   69  
   71    72    73    74    77  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    77  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.486900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   317.000  1.510
   33    50   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   270.000  1.512
   46    47   268.000  1.529
   46    50   320.000  1.410
   46    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    70   320.000  1.410
   57    58   340.000  1.090
   57    59   317.000  1.510
   57    60   268.000  1.529
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    70   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   60    61   340.000  1.090
   60    67   317.000  1.510
   60    69   320.000  1.410
   67    68   340.000  1.080
   67    39   549.000  1.340
   39    42   317.000  1.510
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    45   340.000  1.090
   69    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    50    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    39    67    70.00000  124.00000
   33    39    42    65.00000  117.92700
   33    50    46    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    46    47    70.00000  112.02700
   40    46    50    85.00000  110.90400
   40    46    51    70.00000  112.02700
   46    40    41    85.00000  112.85300
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    57    58.35000  112.70000
   47    55    70    50.00000  109.50000
   49    47    48    33.00000  107.80000
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    70.00000  112.02700
   55    57    60    58.35000  112.70000
   55    70    62    83.00000  116.90000
   57    55    56    37.50000  110.70000
   57    59    62    65.00000  116.34900
   57    59    64    70.00000  124.00000
   57    60    61    37.50000  110.70000
   57    60    67    70.00000  112.02700
   57    60    69    50.00000  109.50000
   59    57    58    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    70    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   70    55    56    35.00000  109.50000
   70    55    57    50.00000  109.50000
   70    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   60    57    58    37.50000  110.70000
   60    57    59    70.00000  112.02700
   60    67    68    35.00000  117.00000
   60    67    39    70.00000  124.00000
   60    69    71    83.00000  116.90000
   67    60    61    35.00000  109.50000
   67    39    42    70.00000  124.00000
   39    33    37    70.00000  110.12100
   39    67    68    35.00000  120.00000
   39    42    43    85.00000  110.90400
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    45.00000  125.66300
   45    42    43    45.00000  125.66300
   45    42    44    33.00000  107.80000
   69    60    61    35.00000  109.50000
   69    60    67    85.00000  110.90400
   69    71    72    83.00000  123.40000
   69    71    73    90.00000  111.29400
   71    73    74    65.00000  118.96000
   71    73    77    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    75    35.00000  120.00000
   73    74    76    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    73    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   50    33    37    85.00000  110.90400
   50    33    39    85.00000  110.90400
   50    46    47    50.00000  109.50000
   51    46    47    58.35000  112.70000
   51    46    50    50.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    50   0.13850  1.0 1.0
   24    29    33    50  -1.34450 -1.0 2.0
   24    29    33    50   0.57400  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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    39    67   0.42700  1.0 1.0
   29    33    39    67  -0.70350 -1.0 2.0
   29    33    39    67  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   29    33    50    46   0.14700  1.0 1.0
   29    33    50    46  -1.16150 -1.0 2.0
   29    33    50    46   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    46   7.00000 -1.0 2.0
   33    39    42    43   0.09700  1.0 1.0
   33    39    42    43   0.15600 -1.0 2.0
   33    39    42    43  -0.50800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   37    33    39    67  -0.28300  1.0 1.0
   37    33    39    67   0.26700 -1.0 2.0
   37    33    39    67  -0.63300  1.0 3.0
   37    33    39    42   0.09700  1.0 1.0
   37    33    39    42   0.15600 -1.0 2.0
   37    33    39    42  -0.50800  1.0 3.0
   37    33   -50    46  -0.77900  1.0 1.0
   37    33   -50    46  -0.36900 -1.0 2.0
   37    33   -50    46   0.40400  1.0 3.0
   37    40    46    47   0.09850  1.0 1.0
   37    40    46    47   0.15250 -1.0 2.0
   37    40    46    47  -0.50650  1.0 3.0
   37    40   -46    50   0.39000  1.0 1.0
   37    40   -46    50  -0.05800 -1.0 2.0
   37    40   -46    50  -0.55150  1.0 3.0
   37    40    46    51   0.09850  1.0 1.0
   37    40    46    51   0.15250 -1.0 2.0
   37    40    46    51  -0.50650  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   0.15000  1.0 3.0
   40    46    47    49   0.15000  1.0 3.0
   40    46    47    55   0.34400  1.0 1.0
   40    46    47    55   0.09450 -1.0 2.0
   40    46    47    55   0.11100  1.0 3.0
   40    46   -50    33  -0.77900  1.0 1.0
   40    46   -50    33  -0.36900 -1.0 2.0
   40    46   -50    33   0.40400  1.0 3.0
   40    46    51    52   0.15000  1.0 3.0
   40    46    51    53   0.15000  1.0 3.0
   40    46    51    54   0.15000  1.0 3.0
   41    40    46    47   0.09700  1.0 1.0
   41    40    46    47   0.15600 -1.0 2.0
   41    40    46    47  -0.50800  1.0 3.0
   41    40    46    50   0.09700  1.0 1.0
   41    40    46    50   0.15600 -1.0 2.0
   41    40    46    50  -0.50800  1.0 3.0
   41    40    46    51   0.09700  1.0 1.0
   41    40    46    51   0.15600 -1.0 2.0
   41    40    46    51  -0.50800  1.0 3.0
   46    47    55    56   0.15000  1.0 3.0
   46    47    55    57   0.56750  1.0 1.0
   46    47    55    57  -0.07550 -1.0 2.0
   46    47    55    57   0.20000  1.0 3.0
   46    47    55    70   0.62750  1.0 1.0
   46    47    55    70  -0.30950 -1.0 2.0
   46    47    55    70   0.27300  1.0 3.0
   47    46    50    33   0.06250  1.0 1.0
   47    46    50    33  -0.01100 -1.0 2.0
   47    46    50    33   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   47    55    57    58   0.15000  1.0 3.0
   47    55    57    59   0.34400  1.0 1.0
   47    55    57    59   0.09450 -1.0 2.0
   47    55    57    59   0.11100  1.0 3.0
   47    55    57    60   0.56750  1.0 1.0
   47    55    57    60  -0.07550 -1.0 2.0
   47    55    57    60   0.20000  1.0 3.0
   47    55    70    62  -0.25900  1.0 1.0
   47    55    70    62  -0.47000 -1.0 2.0
   47    55    70    62   0.11750  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    70   0.23400  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   49    47    55    70   0.23400  1.0 3.0
   55    57   -59    62   0.09700  1.0 1.0
   55    57   -59    62   0.15600 -1.0 2.0
   55    57   -59    62  -0.50800  1.0 3.0
   55    57    59    64   0.09850  1.0 1.0
   55    57    59    64   0.15250 -1.0 2.0
   55    57    59    64  -0.50650  1.0 3.0
   55    57    60    61   0.15000  1.0 3.0
   55    57    60    67   0.34400  1.0 1.0
   55    57    60    67   0.09450 -1.0 2.0
   55    57    60    67   0.11100  1.0 3.0
   55    57    60    69   0.62750  1.0 1.0
   55    57    60    69  -0.30950 -1.0 2.0
   55    57    60    69   0.27300  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    70    62   0.08050  1.0 3.0
   57    55   -70    62  -0.25900  1.0 1.0
   57    55   -70    62  -0.47000 -1.0 2.0
   57    55   -70    62   0.11750  1.0 3.0
   57    59    62    63  -0.64400  1.0 1.0
   57    59    62    63   0.26850 -1.0 2.0
   57    59   -62    70  -0.15000  1.0 1.0
   57    59   -62    70   0.89550 -1.0 2.0
   57    59   -62    70  -0.06900  1.0 3.0
   57    59    64    65   7.00000 -1.0 2.0
   57    59    64    66   7.00000 -1.0 2.0
   57    60    67    68   0.00000  1.0 1.0
   57    60    67    39   0.09850  1.0 1.0
   57    60    67    39   0.15250 -1.0 2.0
   57    60    67    39  -0.50650  1.0 3.0
   57    60    69    71  -0.25900  1.0 1.0
   57    60    69    71  -0.47000 -1.0 2.0
   57    60    69    71   0.11750  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    64   0.00000  1.0 1.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    67   0.15000  1.0 3.0
   58    57    60    69   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    67   0.31000  1.0 1.0
   59    57    60    67   0.14700 -1.0 2.0
   59    57    60    67   0.07550  1.0 3.0
   59    57    60    69   0.61850  1.0 1.0
   59    57    60    69  -0.22750 -1.0 2.0
   59    57    60    69   0.15300  1.0 3.0
   59    62   -70    55   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    70    55   3.00000 -1.0 2.0
   70    55    57    58   0.23400  1.0 3.0
   70    55   -57    59   0.61850  1.0 1.0
   70    55   -57    59  -0.22750 -1.0 2.0
   70    55   -57    59   0.15300  1.0 3.0
   70    55    57    60   0.62750  1.0 1.0
   70    55    57    60  -0.30950 -1.0 2.0
   70    55    57    60   0.27300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    70  -0.56150  1.0 1.0
   64    59    62    70   2.19150 -1.0 2.0
   60    57    59    62   0.09700  1.0 1.0
   60    57    59    62   0.15600 -1.0 2.0
   60    57    59    62  -0.50800  1.0 3.0
   60    57    59    64   0.09850  1.0 1.0
   60    57    59    64   0.15250 -1.0 2.0
   60    57    59    64  -0.50650  1.0 3.0
   60    67    39    33   7.00000 -1.0 2.0
   60    67    39    42   7.00000 -1.0 2.0
   60    69    71    72   3.00000 -1.0 2.0
   60    69    71    73   2.00000 -1.0 2.0
   61    60    67    68   0.33100  1.0 3.0
   61    60    67    39   0.00000  1.0 1.0
   61    60    69    71   0.08050  1.0 3.0
   67    60    69    71  -0.82050  1.0 1.0
   67    60    69    71   0.00600 -1.0 2.0
   67    60    69    71   0.04400  1.0 3.0
   67    39    42    43   0.39000  1.0 1.0
   67    39    42    43  -0.05800 -1.0 2.0
   67    39    42    43  -0.55150  1.0 3.0
   67    39    42    44   0.00000  1.0 1.0
   67    39    42    45   0.00000  1.0 1.0
   68    67    39    33   7.00000 -1.0 2.0
   68    67    39    42   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40  -0.28300  1.0 1.0
   39    33    37    40   0.26700 -1.0 2.0
   39    33    37    40  -0.63300  1.0 3.0
   39    33    50    46  -0.77900  1.0 1.0
   39    33    50    46  -0.36900 -1.0 2.0
   39    33    50    46   0.40400  1.0 3.0
   69    60    67    68   0.00000  1.0 1.0
   69    60    67    39   0.39000  1.0 1.0
   69    60    67    39  -0.05800 -1.0 2.0
   69    60    67    39  -0.55150  1.0 3.0
   69    71    73    74  -0.56150  1.0 1.0
   69    71    73    74   2.19150 -1.0 2.0
   69    71    73    77  -0.15000  1.0 1.0
   69    71    73    77   0.89550 -1.0 2.0
   69    71    73    77  -0.06900  1.0 3.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    76   7.00000 -1.0 2.0
   71    73    77    78   0.15000  1.0 3.0
   71    73    77    79   0.15000  1.0 3.0
   71    73    77    80   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    77  -0.64400  1.0 1.0
   72    71    73    77   0.26850 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   77    73    74    75   7.00000 -1.0 2.0
   77    73    74    76   7.00000 -1.0 2.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    40   0.39000  1.0 1.0
   50    33   -37    40  -0.05800 -1.0 2.0
   50    33   -37    40  -0.55150  1.0 3.0
   50    33    39    67   0.39000  1.0 1.0
   50    33    39    67  -0.05800 -1.0 2.0
   50    33    39    67  -0.55150  1.0 3.0
   50    33    39    42   0.09700  1.0 1.0
   50    33    39    42   0.15600 -1.0 2.0
   50    33    39    42  -0.50800  1.0 3.0
   50    46    47    48   0.23400  1.0 3.0
   50    46    47    49   0.23400  1.0 3.0
   50    46    47    55   0.62750  1.0 1.0
   50    46    47    55  -0.30950 -1.0 2.0
   50    46    47    55   0.27300  1.0 3.0
   50    46    51    52   0.23400  1.0 3.0
   50    46    51    53   0.23400  1.0 3.0
   50    46    51    54   0.23400  1.0 3.0
   51    46    47    48   0.15000  1.0 3.0
   51    46    47    49   0.15000  1.0 3.0
   51    46    47    55   0.56750  1.0 1.0
   51    46    47    55  -0.07550 -1.0 2.0
   51    46    47    55   0.20000  1.0 3.0
   51    46    50    33   0.06250  1.0 1.0
   51    46    50    33  -0.01100 -1.0 2.0
   51    46    50    33   0.28050  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   57    62    59    64   1.10000 -1.0 2.0
   59    70    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
   60    68    67    39   1.10000 -1.0 2.0
   33    42    39    67   1.10000 -1.0 2.0
   69    73    71    72  10.50000 -1.0 2.0
   71    77    73    74  15.00000 -1.0 2.0
   75    76    74    73  15.00000 -1.0 2.0
END
