* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    165    253     477
    1     0 S   NP   _N1_     1    28.71927    95.71130   -20.81346
    2     1 S   H    _HN1     2     1.02835    36.79098   155.74169
    3     1 S   H    _H1_     3     1.02774    86.52292   -77.67765
    4     1 S   H    _H2_     4     1.02962    86.50789    30.98390
    5     1 S   CT   _CA1     5     1.50144   147.50970   154.57386
    6     5 S   HC   _HA1     6     1.09567   105.22239    59.86314
    7     5 S   CO3  _C1_     7     1.53837   112.43176   -60.36490
    8     7 S   O2Z  _O11     8     1.26364   114.96399   -40.09205
    9     7 S   O2Z  _O12     9     1.26242   114.96704   139.06349
   10     5 S   CT   _CB1    10     1.53107   107.42768   177.91550
   11    10 S   HC   HB11    11     1.09818   109.45182   -48.94059
   12    10 S   HC   HB12    12     1.09826   110.35163    67.68050
   13    10 S   CT   _CG1    13     1.52983   112.66866  -170.02031
   14    13 S   HC   HG11    14     1.09504   110.38317   -61.85034
   15    13 S   HC   HG12    15     1.09639   110.08355    57.30010
   16    13 S   C    _CD1    16     1.51791   112.32903   177.57110
   17    16 S   O    _OE1    17     1.22718   123.24286    -8.09308
   18    16 S   N    _N2_    18     1.38608   111.62614   172.38292
   19    18 S   H    _HN2    19     1.01597   118.99076     0.86321
   20    18 S   CT1  _CA2    20     1.46252   123.45274  -178.83938
   21    20 S   HC   _HA2    21     1.09733   109.36480   -14.75824
   22    20 S   C    _C2_    22     1.53407   108.31673  -130.45967
   23    22 S   O    _O2_    23     1.23010   122.24854  -146.02524
   24    20 S   CT   _CB2    32     1.53385   111.23621   107.41908
   25    24 S   HC   HB21    33     1.09483   109.65282    54.79917
   26    24 S   HC   HB22    34     1.09512   110.76474   173.13073
   27    22 S   N    _N3_    24     1.38508   113.33918    41.36830
   28    27 S   H    _HN3    25     1.01531   118.91004    -0.64589
   29    24 S   S    _SG2    35     1.82871   111.60039   -67.85949
   30    27 S   CT   _CA3    26     1.45454   123.48485   175.06771
   31    30 S   HC   HA31    27     1.09519   109.28264    23.42613
   32    30 S   HC   HA32    28     1.09496   107.10875   140.44547
   33    29 S   CT   _C18    36     1.84797   100.19748   148.68947
   34    33 S   HC   _H3_    37     1.09649   105.39258    33.36568
   35    30 S   CO3  _C3_    29     1.52926   113.09301  -100.07851
   36    35 S   O2Z  _O31    30     1.26403   115.39996   -44.23622
   37    35 S   O2Z  _O32    31     1.26353   114.98323   136.69036
   38    33 S   CT   _C16    38     1.55139   108.45795   -80.73066
   39    38 S   HC   _H40    39     1.09924   108.11052    60.93721
   40    38 S   CO4  _C10    40     1.51482   106.57755   174.30887
   41    40 S   O    _O22    41     1.23099   121.50217  -125.05415
   42    38 S   CT   _C24    80     1.54308   117.29093   -61.42616
   43    42 S   HC   _H52    81     1.09498   110.75379    52.17699
   44    42 S   HC   _H53    82     1.09447   111.30012   -66.11275
   45    40 S   CT   _C13    42     1.50436   117.02153    57.79636
   46    45 S   HC   _H35    43     1.09525   108.41025    71.54980
   47    45 S   HC   _H36    44     1.09700   107.13304  -173.19652
   48    42 S   CM   _C12    83     1.50516   111.93967   171.16573
   49    48 S   HC   _H34    84     1.08714   117.39027   -61.15445
   50    45 S   CO   _C20    45     1.52871   112.39750   -52.03437
   51    48 S   CM   _C11    85     1.33778   124.09048   119.83743
   52    51 S   HC   _H32    86     1.08490   120.34744   179.13679
   53    51 S   HC   _H33    87     1.08428   121.68811    -0.41965
   54    33 S   CT   _C19    46     1.57707   114.30878   150.74864
   55    50 S   OS   _O27    75     1.44933   109.28740   164.19432
   56    54 S   CT   _C17    47     1.55947   114.85633   -74.49324
   57    56 S   HC   _H41    48     1.09700   107.93004   168.64901
   58    54 S   OS   _O26    70     1.43242   109.96627    61.01398
   59    55 S   CT   _C23    76     1.42141   115.55333    57.59853
   60    59 S   HC   _H49    77     1.09361   107.93295   169.11208
   61    59 S   HC   _H50    78     1.09347   111.55496    50.22996
   62    59 S   HC   _H51    79     1.09322   110.75697   -73.10877
   63    56 S   CT   _C15    49     1.54356   102.04668   -75.42116
   64    63 S   HC   _H39    50     1.09718   109.42741    85.81834
   65    56 S   CT   _C21    66     1.52556   120.29661    47.27075
   66    65 S   HC   _H43    67     1.09376   112.20431   -66.08410
   67    65 S   HC   _H44    68     1.09623   109.95660   175.55459
   68    65 S   HC   _H45    69     1.09167   112.20860    56.91486
   69    58 S   CT   _C22    71     1.41394   119.01520  -104.37242
   70    69 S   HC   _H46    72     1.09408   107.70629   177.50205
   71    69 S   HC   _H47    73     1.09006   112.06902    59.48674
   72    69 S   HC   _H48    74     1.09259   111.27210   -65.08272
   73    63 S   CA   _C7_    51     1.51277   116.11671  -151.08988
   74    50 S   OS   _O25    65     1.44168   109.58494   -75.34312
   75    73 S   CA   _C4_    52     1.41588   119.19970  -127.38926
   76    75 S   HA   _H29    53     1.08815   120.06698     0.39958
   77    75 S   CA   _C5_    54     1.39855   121.41776  -179.58693
   78    77 S   HA   _H30    55     1.08405   120.87572  -179.92087
   79    77 S   CA   _C8_    56     1.37703   117.69574     0.18663
   80    79 S   CA   _C9_    57     1.37380   121.59501     0.03956
   81    73 S   CA   _C6_    58     1.40426   121.85203    53.42971
   82    81 S   HA   _H31    59     1.08388   121.63121    -0.39958
   83    80 S   OS   _O24    60     1.36111   112.34423   179.86730
   84    83 S   CO   _C14    61     1.44224   100.95757     0.04423
   85    84 S   HC   _H37    62     1.09608   108.67189  -120.94398
   86    84 S   HC   _H38    63     1.09609   108.67259   120.89676
   87    79 S   OS   _O23    64     1.36035   125.99092   179.93439
  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
  20   8   2   1   1  16   8  12   5   9   4   3  10   5   4   4
   3  15   2   1   1  17   8  13   9   7   4   2   1   1  13   5
   5   2   1   1   3   2   1   1  10   2   8   4   7   3   8   7
   4   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    54    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    50    54    56    57    63    74    65    58    69    55    42    43    44    48  
   38    39    40    50    54    56    58    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    50    54    56    58    42    43    44    48    49    51  
   40    41    45    54    42    43    44    48  
   41    45    46    47    50    54    74    55    42    43    44    48  
   45    46    47    50    42  
   43    44    48    49    51    52    53    45    54  
   44    48    49    51  
   48    49    51  
   46    47    50    54    56    63    74    58    55    59  
   47    50    54    74    55  
   50    54    74    55  
   49    51    52    53  
   51    52    53  
   54    56    57    63    64    73    74    65    58    69    55    59    60    61    62  
   52    53  
   53  
    0  
   56    57    63    64    73    74    65    66    67    68    58    69    70    71    72    55    59  
   59    60    61    62    56    58    63    74  
   57    63    64    73    75    81    74    65    66    67    68    58    69  
   63    64    73    74    65    66    67    68    58  
   69    70    71    72    63    65    74  
   60    61    62    74  
   61    62  
   62  
    0  
   64    73    75    76    77    80    81    82    74    65    66    67    68  
   73    75    81    74    65  
   66    67    68    73    74  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   75    76    77    78    79    80    81    82    83    74  
   75    81  
   76    77    78    79    80    81    82    87  
   77    78    79    81  
   78    79    80    81    83    84    87  
   79    80    87  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84    87  
   83  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   250.000  1.527
   50    54   250.000  1.527
   50    74   320.000  1.380
   50    55   320.000  1.380
   54    56   268.000  1.529
   54    58   320.000  1.410
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    65   268.000  1.529
   63    64   340.000  1.090
   63    73   317.000  1.510
   63    74   320.000  1.410
   73    75   469.000  1.400
   73    81   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    87   450.000  1.364
   80    81   469.000  1.400
   80    83   450.000  1.364
   81    82   367.000  1.080
   83    84   320.000  1.380
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.380
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   58    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.510
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    53   340.000  1.080
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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    54    50    75.00000  109.43000
   33    54    56    58.35000  112.70000
   33    54    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    70.00000  112.02700
   40    38    39    35.00000  109.50000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    50    63.00000  111.10000
   45    40    41    80.00000  120.40000
   45    50    54    65.00000  112.71400
   45    50    74    90.00000  108.56700
   45    50    55    90.00000  108.56700
   47    45    46    33.00000  107.80000
   50    45    46    45.00000  108.72000
   50    45    47    45.00000  108.72000
   50    54    56    75.00000  109.43000
   50    54    58    90.00000  109.38000
   50    74    63    60.00000  109.50000
   50    55    59    60.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    56    57    37.50000  110.70000
   54    56    63    58.35000  112.70000
   54    56    65    58.35000  112.70000
   54    58    69    60.00000  109.50000
   56    63    64    37.50000  110.70000
   56    63    73    70.00000  112.17500
   56    63    74    50.00000  109.50000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    68    37.50000  110.70000
   63    56    57    37.50000  110.70000
   63    73    75    70.00000  120.00000
   63    73    81    70.00000  120.00000
   73    63    64    35.00000  109.50000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   73    81    80    63.00000  120.00000
   73    81    82    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    87    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    81    63.00000  120.00000
   79    80    83    70.00000  120.00000
   79    87    84   100.00000  112.36700
   80    81    82    35.00000  120.00000
   80    83    84   100.00000  112.36700
   81    73    75    63.00000  120.00000
   83    80    81    70.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    92.60000  111.55000
   86    84    85    33.00000  109.50000
   87    79    80    70.00000  120.00000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   74    50    54    90.00000  108.56700
   74    63    64    35.00000  109.50000
   74    63    73    85.00000  111.85700
   65    56    57    37.50000  110.70000
   65    56    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   58    54    56    50.00000  109.50000
   58    69    70    35.00000  109.50000
   58    69    71    35.00000  109.50000
   58    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   55    50    54    90.00000  108.56700
   55    50    74    92.60000  111.55000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    48    49    35.00000  117.00000
   42    48    51    70.00000  124.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   51    48    49    35.00000  120.00000
   53    51    52    35.00000  117.00000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    56   0.44750  1.0 1.0
   29    33    54    56  -0.17800 -1.0 2.0
   29    33    54    56   0.20200  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.60050  1.0 1.0
   33    38    40    45   0.05600 -1.0 2.0
   33    38    40    45   0.26150  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    54    56    57   0.15000  1.0 3.0
   33    54    56    63   0.56750  1.0 1.0
   33    54    56    63  -0.07550 -1.0 2.0
   33    54    56    63   0.20000  1.0 3.0
   33    54    56    65   0.56750  1.0 1.0
   33    54    56    65  -0.07550 -1.0 2.0
   33    54    56    65   0.20000  1.0 3.0
   33    54    58    69   0.06250  1.0 1.0
   33    54    58    69  -0.01100 -1.0 2.0
   33    54    58    69   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   34    33    54    58   0.23400  1.0 3.0
   38    33    54    50   3.97050  1.0 1.0
   38    33    54    56   0.56750  1.0 1.0
   38    33    54    56  -0.07550 -1.0 2.0
   38    33    54    56   0.20000  1.0 3.0
   38    33    54    58   0.62750  1.0 1.0
   38    33    54    58  -0.30950 -1.0 2.0
   38    33    54    58   0.27300  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    47   0.00000  1.0 1.0
   38    40   -45    50   0.60050  1.0 1.0
   38    40   -45    50   0.05600 -1.0 2.0
   38    40   -45    50   0.26150  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    51   0.09850  1.0 1.0
   38    42    48    51   0.15250 -1.0 2.0
   38    42    48    51  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    48  -0.98800  1.0 1.0
   40    38    42    48   0.48800 -1.0 2.0
   40    38    42    48   0.76800  1.0 3.0
   40    45    50    54  -0.95700  1.0 1.0
   40    45    50    54  -0.18200 -1.0 2.0
   40    45    50    54   0.29450  1.0 3.0
   40    45    50    74  -0.09450  1.0 1.0
   40    45    50    74  -1.12950 -1.0 2.0
   40    45    50    74   0.54000  1.0 3.0
   40    45    50    55  -0.09450  1.0 1.0
   40    45    50    55  -1.12950 -1.0 2.0
   40    45    50    55   0.54000  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   41    40    45    50   0.30150 -1.0 2.0
   45    50   -54    33   0.56750  1.0 1.0
   45    50   -54    33  -0.07550 -1.0 2.0
   45    50   -54    33   0.20000  1.0 3.0
   45    50    54    56   0.56750  1.0 1.0
   45    50    54    56  -0.07550 -1.0 2.0
   45    50    54    56   0.20000  1.0 3.0
   45    50    54    58   0.62750  1.0 1.0
   45    50    54    58  -0.30950 -1.0 2.0
   45    50    54    58   0.27300  1.0 3.0
   45    50    74    63   0.06250  1.0 1.0
   45    50    74    63  -0.01100 -1.0 2.0
   45    50    74    63   0.28050  1.0 3.0
   45    50    55    59   0.06250  1.0 1.0
   45    50    55    59  -0.01100 -1.0 2.0
   45    50    55    59   0.28050  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    74   0.23400  1.0 3.0
   46    45    50    55   0.23400  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   47    45    50    74   0.23400  1.0 3.0
   47    45    50    55   0.23400  1.0 3.0
   50    54    56    57   0.15000  1.0 3.0
   50    54   -56    63   3.97050  1.0 1.0
   50    54    56    65   3.97050  1.0 1.0
   50    54    58    69   0.06250  1.0 1.0
   50    54    58    69  -0.01100 -1.0 2.0
   50    54    58    69   0.28050  1.0 3.0
   50    55    59    60   0.37050  1.0 3.0
   50    55    59    61   0.37050  1.0 3.0
   50    55    59    62   0.37050  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42   0.56750  1.0 1.0
   54    33    38    42  -0.07550 -1.0 2.0
   54    33    38    42   0.20000  1.0 3.0
   54    50   -74    63   0.06250  1.0 1.0
   54    50   -74    63  -0.01100 -1.0 2.0
   54    50   -74    63   0.28050  1.0 3.0
   54    50    55    59   0.06250  1.0 1.0
   54    50    55    59  -0.01100 -1.0 2.0
   54    50    55    59   0.28050  1.0 3.0
   54    56    63    64   0.15000  1.0 3.0
   54    56    63    73  -0.03700  1.0 1.0
   54    56    63    73   0.37200 -1.0 2.0
   54    56    63    73  -0.47300  1.0 3.0
   54    56   -63    74   0.62750  1.0 1.0
   54    56   -63    74  -0.30950 -1.0 2.0
   54    56   -63    74   0.27300  1.0 3.0
   54    56    65    66   0.15000  1.0 3.0
   54    56    65    67   0.15000  1.0 3.0
   54    56    65    68   0.15000  1.0 3.0
   54    58    69    70   0.37050  1.0 3.0
   54    58    69    71   0.37050  1.0 3.0
   54    58    69    72   0.37050  1.0 3.0
   56    54    58    69   0.06250  1.0 1.0
   56    54    58    69  -0.01100 -1.0 2.0
   56    54    58    69   0.28050  1.0 3.0
   56    63    73    75   0.04150 -1.0 2.0
   56    63    73    81   0.04150 -1.0 2.0
   56    63   -74    50   0.06250  1.0 1.0
   56    63   -74    50  -0.01100 -1.0 2.0
   56    63   -74    50   0.28050  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    73   0.43200  1.0 3.0
   57    56    63    74   0.23400  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    68   0.15000  1.0 3.0
   63    56    65    66   0.15000  1.0 3.0
   63    56    65    67   0.15000  1.0 3.0
   63    56    65    68   0.15000  1.0 3.0
   63    73    75    76   3.62500 -1.0 2.0
   63    73    75    77   3.62500 -1.0 2.0
   63    73    81    80   3.62500 -1.0 2.0
   63    73    81    82   3.62500 -1.0 2.0
   64    63    73    75   0.00000  1.0 1.0
   64    63    73    81   0.00000  1.0 1.0
   64    63    74    50   0.37050  1.0 3.0
   73    63    74    50   0.37500  1.0 3.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   75    73    81    80   3.62500 -1.0 2.0
   75    73    81    82   3.62500 -1.0 2.0
   75    77   -79    80   3.62500 -1.0 2.0
   75    77    79    87   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   77    79    80    83   3.62500 -1.0 2.0
   77    79    87    84   1.63200 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    87   3.62500 -1.0 2.0
   79    80   -81    73   3.62500 -1.0 2.0
   79    80    81    82   3.62500 -1.0 2.0
   79    80   -83    84   1.63200 -1.0 2.0
   80    79   -87    84   1.63200 -1.0 2.0
   80    83    84    85   0.08050  1.0 3.0
   80    83    84    86   0.08050  1.0 3.0
   80    83   -84    87  -0.25600  1.0 1.0
   80    83   -84    87  -0.40050 -1.0 2.0
   80    83   -84    87   0.34700  1.0 3.0
   81    73    75    76   3.62500 -1.0 2.0
   81    73   -75    77   3.62500 -1.0 2.0
   81    80    83    84   1.63200 -1.0 2.0
   83    80    81    73   3.62500 -1.0 2.0
   83    80    81    82   3.62500 -1.0 2.0
   83    84   -87    79  -0.25600  1.0 1.0
   83    84   -87    79  -0.40050 -1.0 2.0
   83    84   -87    79   0.34700  1.0 3.0
   85    84    87    79   0.08050  1.0 3.0
   86    84    87    79   0.08050  1.0 3.0
   87    79    80    81   3.62500 -1.0 2.0
   87    79   -80    83   3.62500 -1.0 2.0
   74    50    54    33   0.62750  1.0 1.0
   74    50    54    33  -0.30950 -1.0 2.0
   74    50    54    33   0.27300  1.0 3.0
   74    50   -54    56   0.62750  1.0 1.0
   74    50   -54    56  -0.30950 -1.0 2.0
   74    50   -54    56   0.27300  1.0 3.0
   74    50    54    58   1.11900  1.0 1.0
   74    50    54    58  -1.16350 -1.0 2.0
   74    50    54    58  -0.34150  1.0 3.0
   74    50    55    59  -0.53350  1.0 1.0
   74    50    55    59  -0.78350 -1.0 2.0
   74    50    55    59   0.33750  1.0 3.0
   74    63    73    75   0.64500  1.0 1.0
   74    63    73    75   0.14800 -1.0 2.0
   74    63    73    75   0.20650  1.0 3.0
   74    63    73    81   0.64500  1.0 1.0
   74    63    73    81   0.14800 -1.0 2.0
   74    63    73    81   0.20650  1.0 3.0
   65    56    63    64   0.15000  1.0 3.0
   65    56    63    73  -0.03700  1.0 1.0
   65    56    63    73   0.37200 -1.0 2.0
   65    56    63    73  -0.47300  1.0 3.0
   65    56    63    74   0.62750  1.0 1.0
   65    56    63    74  -0.30950 -1.0 2.0
   65    56    63    74   0.27300  1.0 3.0
   58    54    56    57   0.23400  1.0 3.0
   58    54    56    63   0.62750  1.0 1.0
   58    54    56    63  -0.30950 -1.0 2.0
   58    54    56    63   0.27300  1.0 3.0
   58    54    56    65   0.62750  1.0 1.0
   58    54    56    65  -0.30950 -1.0 2.0
   58    54    56    65   0.27300  1.0 3.0
   55    50    54    33   0.62750  1.0 1.0
   55    50    54    33  -0.30950 -1.0 2.0
   55    50    54    33   0.27300  1.0 3.0
   55    50    54    56   0.62750  1.0 1.0
   55    50    54    56  -0.30950 -1.0 2.0
   55    50    54    56   0.27300  1.0 3.0
   55    50    54    58   1.11900  1.0 1.0
   55    50    54    58  -1.16350 -1.0 2.0
   55    50    54    58  -0.34150  1.0 3.0
   55    50    74    63  -0.53350  1.0 1.0
   55    50    74    63  -0.78350 -1.0 2.0
   55    50    74    63   0.33750  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.60050  1.0 1.0
   42    38    40    45   0.05600 -1.0 2.0
   42    38    40    45   0.26150  1.0 3.0
   42    48    51    52   7.00000 -1.0 2.0
   42    48    51    53   7.00000 -1.0 2.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    51   0.00000  1.0 1.0
   44    42    48    49   0.33100  1.0 3.0
   44    42    48    51   0.00000  1.0 1.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   75    81    73    63   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    87    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   80    82    81    73   1.10000 -1.0 2.0
   42    49    48    51  15.00000 -1.0 2.0
   52    53    51    48  15.00000 -1.0 2.0
END
