* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    220     433
    1     0 S   NP   _N1_     1    28.08338    95.48878   -24.79478
    2     1 S   H    _HN1     2     1.02831    23.43713   140.39734
    3     1 S   H    _H1_     3     1.02784   107.22469  -124.24843
    4     1 S   H    _H2_     4     1.02950    85.57608   -16.36382
    5     1 S   CT   _CA1     5     1.50111   128.92998    96.41620
    6     5 S   HC   _HA1     6     1.09571   105.20469    76.39780
    7     5 S   CO3  _C1_     7     1.53803   112.44656   -43.87119
    8     7 S   O2Z  _O11     8     1.26376   115.00517   -42.45941
    9     7 S   O2Z  _O12     9     1.26237   114.96075   136.70595
   10     5 S   CT   _CB1    10     1.53092   107.43478  -165.57280
   11    10 S   HC   HB11    11     1.09832   109.44059   -49.32585
   12    10 S   HC   HB12    12     1.09813   110.42691    67.30793
   13    10 S   CT   _CG1    13     1.52981   112.56807  -170.27722
   14    13 S   HC   HG11    14     1.09581   110.63646   -64.86476
   15    13 S   HC   HG12    15     1.09672   109.78824    54.34551
   16    13 S   C    _CD1    16     1.51787   112.26115   174.86752
   17    16 S   O    _OE1    17     1.22741   123.38484     7.02884
   18    16 S   N    _N2_    18     1.38603   111.66783  -173.08284
   19    18 S   H    _HN2    19     1.01598   119.16042     0.56302
   20    18 S   CT1  _CA2    20     1.46121   122.83213   178.61549
   21    20 S   HC   _HA2    21     1.09749   108.30582    31.06779
   22    20 S   C    _C2_    22     1.53365   110.46512   -85.24903
   23    22 S   O    _O2_    23     1.23174   121.06830   164.62777
   24    20 S   CT   _CB2    32     1.53363   111.66032   153.30278
   25    24 S   HC   HB21    33     1.09539   110.03845    57.88382
   26    24 S   HC   HB22    34     1.09506   110.10600   176.91365
   27    22 S   N    _N3_    24     1.38052   114.83400   -20.85596
   28    27 S   H    _HN3    25     1.01573   119.37963     3.02492
   29    24 S   S    _SG2    35     1.82950   110.84067   -63.15973
   30    27 S   CT   _CA3    26     1.45284   123.44440  -178.49026
   31    30 S   HC   HA31    27     1.09550   108.27583   -45.66041
   32    30 S   HC   HA32    28     1.09512   107.37859    70.92127
   33    29 S   CT   _C12    36     1.84216    99.89696  -178.45998
   34    33 S   HC   _H3_    37     1.09581   104.36369    52.56138
   35    30 S   CO3  _C3_    29     1.52958   114.04955  -167.88390
   36    35 S   O2Z  _O31    30     1.26369   116.08658     0.63180
   37    35 S   O2Z  _O32    31     1.26431   114.40655  -179.44152
   38    33 S   CA   _C7_    38     1.52161   110.75213   169.16126
   39    33 S   CM   _C13    58     1.51260   110.72633   -65.75772
   40    39 S   HC   _H18    59     1.09091   116.38724   -33.88083
   41    38 S   CA   _C6_    39     1.40726   119.17909  -117.12315
   42    41 S   HA   _H12    40     1.08670   118.17707     0.37742
   43    39 S   CMA  _C14    60     1.35568   125.69352   144.44568
   44    43 S   OM   _O36    61     1.26687   124.46835  -178.90586
   45    41 S   CA   _C5_    41     1.39705   120.97085  -179.29473
   46    43 S   OS1  _O37    62     1.41246   112.14948     5.12499
   47    45 S   CA   _C10    42     1.39940   118.62198    -0.16193
   48    45 S   OS   _O33    53     1.37063   125.15900   179.87967
   49    46 S   CO1  _C15    63     1.43748   113.62848  -118.96935
   50    49 S   HC   _H4_    64     1.09859   109.87000   -50.86474
   51    47 S   CA   _C9_    43     1.40123   121.68020     0.40926
   52    47 S   OH   _O34    51     1.37394   118.62161  -179.79347
   53    52 S   HO   _H14    52     0.97361   107.27321  -179.61539
   54    48 S   CT   _C4_    54     1.42259   117.08122    -2.82819
   55    54 S   HC   _H9_    55     1.09429   107.73389  -178.40088
   56    54 S   HC   _H10    56     1.09494   111.09903    63.92212
   57    54 S   HC   _H11    57     1.09514   111.21676   -60.65309
   58    49 S   CT   _C16    65     1.53575   107.29083  -168.90907
   59    58 S   HC   _H5_    66     1.09582   110.61672    59.21533
   60    38 S   CA   _C8_    44     1.40709   121.68237    63.94391
   61    60 S   HA   _H13    45     1.08619   118.41161    -0.39366
   62    51 S   OS   _O35    46     1.37117   115.57932   179.77186
   63    58 S   CT   _C17    67     1.52978   109.50790  -178.29475
   64    63 S   HC   _H6_    68     1.09737   108.33541   -67.72586
   65    58 S   OH5  _O42    83     1.43183   109.55532   -57.36397
   66    65 S   HO   _H24    84     0.97291   106.72873  -173.24942
   67    62 S   CT   _C11    47     1.42286   116.92965  -179.86012
   68    67 S   HC   _H15    48     1.09428   107.72863  -179.97202
   69    67 S   HC   _H16    49     1.09499   111.13537    62.31438
   70    67 S   HC   _H17    50     1.09501   111.14112   -62.24057
   71    63 S   CT   _C18    69     1.53328   111.89744    52.31868
   72    71 S   HC   _H7_    70     1.09593   109.85717  -172.95694
   73    63 S   OH5  _O41    81     1.42510   109.69305   175.28557
   74    73 S   HO   _H23    82     0.97290   107.47478   174.61028
   75    71 S   CT   _C19    71     1.53611   110.02810   -51.21868
   76    75 S   HC   _H8_    72     1.09783   110.20205   -64.70296
   77    71 S   OH5  _O40    79     1.42852   110.50385    69.98596
   78    77 S   HO   _H22    80     0.97276   107.33080    45.47782
   79    49 S   OS1  _O38    73     1.43461   111.82840    70.59293
   80    75 S   CT   _C20    74     1.52806   111.92079   173.52649
   81    80 S   HC   _H19    75     1.09421   111.20712    48.69950
   82    80 S   HC   _H20    76     1.09500   111.35900   -73.90066
   83    80 S   OH5  _O39    77     1.42439   108.97519   167.37441
   84    83 S   HO   _H21    78     0.97341   106.76370   172.34160
  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   8   5   4   3
  13   6   2   1   1  12   7   3   9   4   6   2  11   8   9   6
  13   6   9   3   1   3   2   1   1  12   7   3   1   4  13   7
   4   1   3   2   1   1  12   7   3   1   9   6   3   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    60    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    60    61    39    40    43    44    46  
   38    41    60    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    51    60    61    62    48    39    40    43  
   40    43    44    46    49    41    60  
   43    44    46  
   42    45    47    51    60    61    52    48    54  
   45    47    60    48  
   44    46    49    50    58    79  
   46    49  
   47    51    60    62    52    53    48    54    55    56    57  
   49    50    58    59    63    75    79    65  
   51    60    61    62    67    52    53    48    54  
   54    55    56    57    51    52  
   50    58    59    63    64    71    75    76    79    80    73    65    66  
   58    59    63    75    79    65  
   60    61    62    67    68    69    70    52    53  
   53    60    62  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    63    64    71    72    75    79    77    73    74    65    66  
   63    64    71    79    73    65    66  
   61    62    67  
   62  
   67    68    69    70  
   64    71    72    75    76    79    80    77    78    73    74    65    66  
   71    72    75    77    73    74    65  
   66    71    73    79  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   2.9000   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    51   469.000  1.400
   47    52   450.000  1.364
   51    60   469.000  1.400
   51    62   450.000  1.364
   60    61   367.000  1.080
   62    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   52    53   553.000  0.945
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   440.000  1.360
   46    49   370.000  1.399
   49    50   360.000  1.097
   49    58   255.000  1.525
   49    79   370.000  1.399
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    65   355.000  1.421
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   65    66   580.000  0.967
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    60    51    63.00000  120.00000
   38    60    61    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    51    63.00000  120.00000
   45    47    52    70.00000  120.00000
   45    48    54    75.00000  111.00000
   47    51    60    63.00000  120.00000
   47    51    62    70.00000  120.00000
   47    52    53    35.00000  113.00000
   51    60    61    35.00000  120.00000
   51    62    67    75.00000  111.00000
   60    38    41    63.00000  120.00000
   62    51    60    70.00000  120.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   52    47    51    70.00000  120.00000
   48    45    47    70.00000  120.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    46    49    90.00000  111.18400
   46    43    44    65.00000  121.00000
   46    49    50    60.00000  105.75400
   46    49    58    90.00000  109.70700
   46    49    79   110.00000  113.16000
   49    58    59    45.00000  109.54000
   49    58    63    70.00000  111.10000
   49    58    65    90.00000  109.42000
   49    79    75    90.00000  112.10700
   58    49    50    45.00000  111.65000
   58    63    64    37.50000  110.70000
   58    63    71    58.35000  112.70000
   58    63    73    90.00000  111.45300
   58    65    66    65.00000  108.53500
   63    58    59    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    75    58.35000  112.70000
   63    71    77    90.00000  111.45300
   63    73    74    65.00000  108.53500
   71    63    64    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    49    50    60.00000  105.75400
   79    49    58    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    63    64    60.00000  109.39000
   73    63    71    90.00000  111.45300
   65    58    59    60.00000  109.39000
   65    58    63    90.00000  111.45300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    60    51   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    60    51   3.62500 -1.0 2.0
   41    38    60    61   3.62500 -1.0 2.0
   41    45   -47    51   3.62500 -1.0 2.0
   41    45    47    52   3.62500 -1.0 2.0
   41    45    48    54   1.63200 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    51    60   3.62500 -1.0 2.0
   45    47    51    62   3.62500 -1.0 2.0
   45    47    52    53   0.84100 -1.0 2.0
   45    48    54    55   0.08050  1.0 3.0
   45    48    54    56   0.08050  1.0 3.0
   45    48    54    57   0.08050  1.0 3.0
   47    45    48    54   1.63200 -1.0 2.0
   47    51   -60    38   3.62500 -1.0 2.0
   47    51    60    61   3.62500 -1.0 2.0
   47    51    62    67   1.63200 -1.0 2.0
   51    47    52    53   0.84100 -1.0 2.0
   51    62    67    68   0.08050  1.0 3.0
   51    62    67    69   0.08050  1.0 3.0
   51    62    67    70   0.08050  1.0 3.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    45   3.62500 -1.0 2.0
   60    51    62    67   1.63200 -1.0 2.0
   62    51    60    38   3.62500 -1.0 2.0
   62    51    60    61   3.62500 -1.0 2.0
   52    47    51    60   3.62500 -1.0 2.0
   52    47    51    62   3.62500 -1.0 2.0
   48    45    47    51   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    60   0.18050 -1.0 2.0
   39    43    46    49  -2.26850  1.0 1.0
   39    43    46    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    49    50   0.08050  1.0 3.0
   43    46    49    58  -0.46850  1.0 1.0
   43    46    49    58   0.09300 -1.0 2.0
   43    46    49    58  -0.12850  1.0 3.0
   43    46    49    79  -0.48150  1.0 1.0
   43    46    49    79   0.09250 -1.0 2.0
   43    46    49    79  -0.12850  1.0 3.0
   44    43    46    49   2.00000 -1.0 2.0
   46    49    58    59   0.23400  1.0 3.0
   46    49    58    63   0.62750  1.0 1.0
   46    49    58    63  -0.30950 -1.0 2.0
   46    49    58    63   0.27300  1.0 3.0
   46    49    58    65   1.51850  1.0 1.0
   46    49    79    75  -0.70400  1.0 1.0
   46    49    79    75  -0.90350 -1.0 2.0
   49    58    63    64   0.15000  1.0 3.0
   49    58    63    71   0.56750  1.0 1.0
   49    58    63    71  -0.07550 -1.0 2.0
   49    58    63    71   0.20000  1.0 3.0
   49    58    63    73  -0.47750  1.0 1.0
   49    58    65    66   0.29150  1.0 1.0
   49    58    65    66  -0.28350 -1.0 2.0
   49    58    65    66   0.43600  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.15000  1.0 3.0
   50    49    58    65   0.23400  1.0 3.0
   50    49    79    75   0.37050  1.0 3.0
   58    49    79    75   0.06250  1.0 1.0
   58    49    79    75  -0.01100 -1.0 2.0
   58    49    79    75   0.28050  1.0 3.0
   58    63    71    72   0.15000  1.0 3.0
   58    63   -71    75   0.56750  1.0 1.0
   58    63   -71    75  -0.07550 -1.0 2.0
   58    63   -71    75   0.20000  1.0 3.0
   58    63    71    77  -0.47750  1.0 1.0
   58    63    73    74   0.29150  1.0 1.0
   58    63    73    74  -0.28350 -1.0 2.0
   58    63    73    74   0.43600  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    71   0.15000  1.0 3.0
   59    58    63    73   0.23400  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   63    58    65    66   0.29150  1.0 1.0
   63    58    65    66  -0.28350 -1.0 2.0
   63    58    65    66   0.43600  1.0 3.0
   63    71    75    76   0.15000  1.0 3.0
   63    71    75    79   0.62750  1.0 1.0
   63    71    75    79  -0.30950 -1.0 2.0
   63    71    75    79   0.27300  1.0 3.0
   63    71    75    80   0.56750  1.0 1.0
   63    71    75    80  -0.07550 -1.0 2.0
   63    71    75    80   0.20000  1.0 3.0
   63    71    77    78   0.29150  1.0 1.0
   63    71    77    78  -0.28350 -1.0 2.0
   63    71    77    78   0.43600  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    75   0.15000  1.0 3.0
   64    63    71    77   0.23400  1.0 3.0
   64    63    73    74   0.19450  1.0 3.0
   71    63    73    74   0.29150  1.0 1.0
   71    63    73    74  -0.28350 -1.0 2.0
   71    63    73    74   0.43600  1.0 3.0
   71    75   -79    49   0.06250  1.0 1.0
   71    75   -79    49  -0.01100 -1.0 2.0
   71    75   -79    49   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    49   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    49    58    59   0.23400  1.0 3.0
   79    49   -58    63   0.62750  1.0 1.0
   79    49   -58    63  -0.30950 -1.0 2.0
   79    49   -58    63   0.27300  1.0 3.0
   79    49    58    65   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    49   0.06250  1.0 1.0
   80    75    79    49  -0.01100 -1.0 2.0
   80    75    79    49   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    63    71    72   0.23400  1.0 3.0
   73    63    71    75  -0.47750  1.0 1.0
   73    63    71    77   3.77950  1.0 1.0
   65    58    63    64   0.23400  1.0 3.0
   65    58    63    71  -0.47750  1.0 1.0
   65    58    63    73   3.77950  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    60    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   51    52    47    45   4.00000 -1.0 2.0
   60    62    51    47   4.00000 -1.0 2.0
   51    61    60    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    46    43    39  15.00000 -1.0 2.0
END
