* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    155    234     453
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054   104.48788     5.59443
    3     1 S   H    _H1_     3     1.02155    44.61590   107.69125
    4     1 S   H    _H2_     4     1.02142    68.38336   -99.09732
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.85042    97.26058  -178.11966
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C10    37     1.52878   109.05411    59.97877
   38    33 S   CT   _C24    68     1.54265   105.51230   -64.14795
   39    38 S   HC   _H49    69     1.08719   108.30433  -179.76261
   40    38 S   HC   _H50    70     1.08712   108.23192    61.22898
   41    37 S   CT   _C17    38     1.52057   117.09846    68.50643
   42    41 S   HC   _H36    39     1.09959   109.57199   153.73586
   43    37 S   CMA  _C11    57     1.34593   124.22859  -115.00059
   44    43 S   OM   _O22    58     1.26296   130.37998     5.09912
   45    38 S   CO4  _C14    71     1.51096   111.90147   -59.26653
   46    45 S   O    _O25    72     1.22922   122.93397    -2.04975
   47    41 S   CA   _C7_    40     1.51312   114.72718    32.72828
   48    41 S   OH   _O29    55     1.42865   109.42749   -88.60471
   49    48 S   HO   _H53    56     0.96890   106.28595   -54.57416
   50    43 S   CT   _C21    59     1.52324   117.31010  -176.47680
   51    50 S   HC   _H43    60     1.09938   110.69778   -29.97241
   52    50 S   HC   _H44    61     1.09827   111.31895  -148.03309
   53    45 S   CT   _C22    73     1.51783   114.62066  -179.92087
   54    53 S   HC   _H45    74     1.09479   108.46446   -30.01830
   55    53 S   HC   _H46    75     1.09507   106.89532    87.67557
   56    47 S   CA   _C6_    41     1.40506   121.85030    -6.94662
   57    50 S   CO4  _C12    62     1.52796   112.73506    89.63889
   58    57 S   O    _O23    63     1.23013   123.21433    -3.48414
   59    53 S   CO4  _C13    76     1.51751   116.52699  -150.78221
   60    59 S   O    _O24    77     1.23022   122.18935     5.50460
   61    56 S   CA   _C4_    42     1.40448   119.55643   179.95577
   62    61 S   HA   _H32    43     1.08810   119.88678  -178.85619
   63    33 S   CT   _C16    52     1.54649   110.05796   179.46734
   64    63 S   HC   _H34    53     1.09998   109.04546   166.97855
   65    63 S   HC   _H35    54     1.09826   109.97124    50.81955
   66    57 S   CT   _C19    64     1.50800   115.91151   178.14396
   67    66 S   HC   _H37    65     1.09280   109.58223    90.02680
   68    66 S   HC   _H38    66     1.09217   109.56447  -148.91197
   69    66 S   HC   _H39    67     1.09370   109.70147   -29.37328
   70    59 S   CT   _C23    78     1.51818   115.58688  -178.47723
   71    70 S   HC   _H47    79     1.09592   108.19379    60.03964
   72    70 S   HC   _H48    80     1.09549   106.58390   -57.33219
   73    61 S   CA   _C8_    44     1.39423   120.66794     0.94667
   74    70 S   CO4  _C15    81     1.51321   115.80210  -179.70261
   75    74 S   O    _O26    82     1.22438   124.25717   -30.80377
   76    73 S   CA   _C5_    45     1.38998   119.89687    -0.46436
   77    76 S   HA   _H33    46     1.08728   120.00601  -179.85329
   78    73 S   OH   _O27    50     1.36095   119.97465   179.70993
   79    78 S   HO   _H51    51     0.97039   110.29761     0.10468
   80    74 S   S    _S31    83     1.76762   113.23816   151.46935
   81    47 S   CA   _C9_    47     1.40553   119.07916   173.81233
   82    80 S   CT   _C20    84     1.80639   100.55133  -180.00000
   83    82 S   HC   _H40    85     1.09202   109.90946  -179.97202
   84    82 S   HC   _H41    86     1.09231   109.84429    59.99504
   85    82 S   HC   _H42    87     1.09314   109.76822   -59.97407
   86    81 S   OH   _O28    48     1.36522   120.92746    -0.74125
   87    86 S   HO   _H52    49     0.96895   110.04012  -179.72164
  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  12   5   4   3
  19   2   1   1  20  14   5   4  13   6  10   4   8   4  14   3
   1   8   4   3   8   4   3  10   5   4   7   4  10   4   4   1
   1   3   2   1   1   6   4   3   6   6   2   6   3   2   1   4
   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    63    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    56    63    64    65    43    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    47    56    61    63    64    65    48    43    44    50    38    39    40    45    46    53  
   35    36  
   36  
    0  
   41    42    47    56    81    63    64    65    48    49    43    44    50    51    52    57    38    39    40    45  
   39    40    45    46    53    54    55    59    41    43    56    63    64    65  
   40    45    46    53    63  
   45    46    53    63  
   42    47    56    61    76    81    86    63    48    49    43    44    50  
   47    56    81    48    49    43  
   44    50    51    52    57    58    66    47    48    63  
   50    51    52    57  
   46    53    54    55    59    60    70    63  
   53    54    55    59  
   56    61    62    73    76    77    81    86    87    63    64    65    48    49  
   49    56    81  
    0  
   51    52    57    58    66    67    68    69  
   52    57    58    66  
   57    58    66  
   54    55    59    60    70    71    72    74  
   55    59    60    70  
   59    60    70  
   61    62    73    76    81    86    78    63    64    65  
   58    66    67    68    69  
   66    67    68    69  
   60    70    71    72    74    75    80  
   70    71    72    74  
   62    73    76    77    81    78    79    63    64    65  
   73    76    78    63  
   64    65    73    81  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    74    75    80    82  
   72    74    75    80  
   74    75    80  
   76    77    81    86    78    79  
   75    80    82    83    84    85  
   80    82  
   77    81    86    87    78    79  
   81    86    78  
   79    81  
    0  
   82    83    84    85  
   86    87  
   83    84    85  
   84    85  
   85  
    0  
   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   0.167500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   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    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    63   268.000  1.529
   33    38   268.000  1.529
   37    41   317.000  1.510
   37    43   465.000  1.376
   41    42   340.000  1.090
   41    47   317.000  1.510
   41    48   320.000  1.410
   47    56   469.000  1.400
   47    81   469.000  1.400
   56    61   469.000  1.400
   56    63   317.000  1.510
   61    62   367.000  1.080
   61    73   469.000  1.400
   73    76   469.000  1.400
   73    78   450.000  1.364
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    86   450.000  1.364
   86    87   553.000  0.945
   78    79   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   48    49   553.000  0.945
   43    44   745.000  1.250
   43    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.522
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   317.000  1.522
   45    46   570.000  1.229
   45    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   317.000  1.522
   59    60   570.000  1.229
   59    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   317.000  1.522
   74    75   570.000  1.229
   74    80   210.000  1.799
   80    82   222.000  1.810
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    63    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    65.00000  117.92700
   33    37    43    70.00000  124.00000
   33    63    56    70.00000  112.17500
   33    63    64    37.50000  110.70000
   33    63    65    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    63.00000  111.10000
   37    41    42    35.00000  109.50000
   37    41    47    70.00000  112.99600
   37    41    48    90.00000  110.39200
   37    43    44    65.00000  137.10300
   37    43    50    65.00000  122.18000
   41    47    56    70.00000  120.00000
   41    47    81    70.00000  120.00000
   41    48    49    55.00000  108.50000
   47    41    42    35.00000  109.50000
   47    56    61    63.00000  120.00000
   47    56    63    70.00000  120.00000
   47    81    76    63.00000  120.00000
   47    81    86    70.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    73    63.00000  120.00000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   61    73    76    63.00000  120.00000
   61    73    78    70.00000  120.00000
   73    61    62    35.00000  120.00000
   73    76    77    35.00000  120.00000
   73    76    81    63.00000  120.00000
   73    78    79    35.00000  113.00000
   76    81    86    70.00000  120.00000
   81    47    56    63.00000  120.00000
   81    76    77    35.00000  120.00000
   81    86    87    35.00000  113.00000
   78    73    76    70.00000  120.00000
   63    33    37    70.00000  112.02700
   63    56    61    70.00000  120.00000
   65    63    64    33.00000  107.80000
   48    41    42    35.00000  109.50000
   48    41    47    90.00000  112.51600
   43    37    41    70.00000  124.00000
   43    50    51    45.00000  110.52000
   43    50    52    45.00000  110.52000
   43    50    57    70.00000  109.06800
   50    43    44    85.00000  112.85300
   50    57    58    80.00000  120.40000
   50    57    66    70.00000  116.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   66    57    58    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    63    58.35000  112.70000
   38    45    46    80.00000  120.40000
   38    45    53    70.00000  116.00000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    59    75.00000  107.99600
   53    45    46    80.00000  120.40000
   53    59    60    80.00000  120.40000
   53    59    70    70.00000  116.00000
   55    53    54    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    55    35.00000  109.50000
   59    70    71    35.00000  109.50000
   59    70    72    35.00000  109.50000
   59    70    74    75.00000  107.99600
   70    59    60    80.00000  120.40000
   70    74    75    80.00000  120.40000
   70    74    80    70.00000  114.16300
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   74    80    82    90.00000   96.72000
   80    74    75    80.00000  121.30200
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    63    56   0.56750  1.0 1.0
   29    33    63    56  -0.07550 -1.0 2.0
   29    33    63    56   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    65   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    47   0.09700  1.0 1.0
   33    37    41    47   0.15600 -1.0 2.0
   33    37    41    47  -0.50800  1.0 3.0
   33    37    41    48   0.18000  1.0 1.0
   33    37    41    48   0.16450 -1.0 2.0
   33    37    41    48   0.04450  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    50   7.00000 -1.0 2.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    53   0.60050  1.0 1.0
   33    38    45    53   0.05600 -1.0 2.0
   33    38    45    53   0.26150  1.0 3.0
   37    33    63    56   0.21200  1.0 1.0
   37    33    63    56   0.16900 -1.0 2.0
   37    33    63    56  -1.15100  1.0 3.0
   37    33    63    64   0.15000  1.0 3.0
   37    33    63    65   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45  -0.98800  1.0 1.0
   37    33    38    45   0.48800 -1.0 2.0
   37    33    38    45   0.76800  1.0 3.0
   37    41   -47    56   0.18050 -1.0 2.0
   37    41    47    81   0.18050 -1.0 2.0
   37    41    48    49  -0.07800  1.0 1.0
   37    41    48    49  -0.21500 -1.0 2.0
   37    41    48    49  -0.03150  1.0 3.0
   37    43    50    51   0.00000  1.0 1.0
   37    43    50    52   0.00000  1.0 1.0
   37    43    50    57  -0.51250  1.0 1.0
   37    43    50    57  -0.88800 -1.0 2.0
   37    43    50    57   0.08850  1.0 3.0
   41    37    43    44   7.00000 -1.0 2.0
   41    37    43    50   7.00000 -1.0 2.0
   41    47    56    61   3.62500 -1.0 2.0
   41    47    56    63   3.62500 -1.0 2.0
   41    47    81    76   3.62500 -1.0 2.0
   41    47    81    86   3.62500 -1.0 2.0
   42    41    47    56   0.00000  1.0 1.0
   42    41    47    81   0.00000  1.0 1.0
   42    41    48    49   0.19450  1.0 3.0
   47    41    48    49   0.31900  1.0 1.0
   47    41    48    49  -0.11800 -1.0 2.0
   47    41    48    49   0.38750  1.0 3.0
   47    56    61    62   3.62500 -1.0 2.0
   47    56    61    73   3.62500 -1.0 2.0
   47    56   -63    33   0.04150 -1.0 2.0
   47    56    63    64   0.00000  1.0 1.0
   47    56    63    65   0.00000  1.0 1.0
   47    81    86    87   0.84100 -1.0 2.0
   56    47    81    76   3.62500 -1.0 2.0
   56    47    81    86   3.62500 -1.0 2.0
   56    61   -73    76   3.62500 -1.0 2.0
   56    61    73    78   3.62500 -1.0 2.0
   61    56    63    33   0.04150 -1.0 2.0
   61    56    63    64   0.00000  1.0 1.0
   61    56    63    65   0.00000  1.0 1.0
   61    73    76    77   3.62500 -1.0 2.0
   61    73    76    81   3.62500 -1.0 2.0
   61    73    78    79   0.84100 -1.0 2.0
   62    61    73    76   3.62500 -1.0 2.0
   62    61    73    78   3.62500 -1.0 2.0
   73    76   -81    47   3.62500 -1.0 2.0
   73    76    81    86   3.62500 -1.0 2.0
   76    73    78    79   0.84100 -1.0 2.0
   76    81    86    87   0.84100 -1.0 2.0
   77    76    81    47   3.62500 -1.0 2.0
   77    76    81    86   3.62500 -1.0 2.0
   81    47   -56    61   3.62500 -1.0 2.0
   81    47    56    63   3.62500 -1.0 2.0
   78    73    76    77   3.62500 -1.0 2.0
   78    73    76    81   3.62500 -1.0 2.0
   63    33   -37    41   0.46850  1.0 1.0
   63    33   -37    41   0.08550 -1.0 2.0
   63    33   -37    41   0.09800  1.0 3.0
   63    33    37    43   0.09850  1.0 1.0
   63    33    37    43   0.15250 -1.0 2.0
   63    33    37    43  -0.50650  1.0 3.0
   63    33    38    39   0.15000  1.0 3.0
   63    33    38    40   0.15000  1.0 3.0
   63    33    38    45  -0.95700  1.0 1.0
   63    33    38    45  -0.18200 -1.0 2.0
   63    33    38    45   0.29450  1.0 3.0
   63    56    61    62   3.62500 -1.0 2.0
   63    56    61    73   3.62500 -1.0 2.0
   48    41    47    56   0.14300 -1.0 2.0
   48    41    47    56   0.00300  1.0 3.0
   48    41    47    81   0.14300 -1.0 2.0
   48    41    47    81   0.00300  1.0 3.0
   43    37    41    42   0.00000  1.0 1.0
   43    37    41    47   1.44450  1.0 1.0
   43    37    41    47   0.06600 -1.0 2.0
   43    37    41    47   0.29250  1.0 3.0
   43    37    41    48   0.67800  1.0 1.0
   43    37    41    48   0.47050 -1.0 2.0
   43    37    41    48  -0.62500  1.0 3.0
   43    50    57    58   0.30150 -1.0 2.0
   43    50    57    66   0.65300  1.0 1.0
   43    50    57    66  -0.03850 -1.0 2.0
   43    50    57    66   0.33900  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    52   0.00000  1.0 1.0
   44    43    50    57   0.09700  1.0 1.0
   44    43    50    57   0.15600 -1.0 2.0
   44    43    50    57  -0.50800  1.0 3.0
   50    57    66    67   0.00000  1.0 1.0
   50    57    66    68   0.00000  1.0 1.0
   50    57    66    69   0.00000  1.0 1.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    66   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    66   0.00000  1.0 1.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   58    57    66    69   0.00000  1.0 1.0
   38    33    37    41   0.46850  1.0 1.0
   38    33    37    41   0.08550 -1.0 2.0
   38    33    37    41   0.09800  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    63    56  -0.03700  1.0 1.0
   38    33    63    56   0.37200 -1.0 2.0
   38    33    63    56  -0.47300  1.0 3.0
   38    33    63    64   0.15000  1.0 3.0
   38    33    63    65   0.15000  1.0 3.0
   38    45    53    54   0.00000  1.0 1.0
   38    45    53    55   0.00000  1.0 1.0
   38    45    53    59   0.65300  1.0 1.0
   38    45    53    59  -0.03850 -1.0 2.0
   38    45    53    59   0.33900  1.0 3.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    53   0.00000  1.0 1.0
   40    38    45    46   0.00000  1.0 1.0
   40    38    45    53   0.00000  1.0 1.0
   45    53    59    60   0.30150 -1.0 2.0
   45    53    59    70   0.65300  1.0 1.0
   45    53    59    70  -0.03850 -1.0 2.0
   45    53    59    70   0.33900  1.0 3.0
   46    45    53    54   0.00000  1.0 1.0
   46    45    53    55   0.00000  1.0 1.0
   46    45    53    59   0.30150 -1.0 2.0
   53    59    70    71   0.00000  1.0 1.0
   53    59    70    72   0.00000  1.0 1.0
   53    59    70    74   0.65300  1.0 1.0
   53    59    70    74  -0.03850 -1.0 2.0
   53    59    70    74   0.33900  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    70   0.00000  1.0 1.0
   55    53    59    60   0.00000  1.0 1.0
   55    53    59    70   0.00000  1.0 1.0
   59    70    74    75   0.30150 -1.0 2.0
   59    70    74    80   0.00000  1.0 1.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    72   0.00000  1.0 1.0
   60    59    70    74   0.30150 -1.0 2.0
   70    74    80    82  -0.11550  1.0 1.0
   70    74    80    82   1.88700 -1.0 2.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    80   0.00000  1.0 1.0
   72    70    74    75   0.00000  1.0 1.0
   72    70    74    80   0.00000  1.0 1.0
   74    80    82    83   0.24000  1.0 3.0
   74    80    82    84   0.24000  1.0 3.0
   74    80    82    85   0.24000  1.0 3.0
   75    74    80    82  -0.11550  1.0 1.0
   75    74    80    82   1.88700 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    43   1.10000 -1.0 2.0
   56    81    47    41   4.00000 -1.0 2.0
   61    63    56    47   4.00000 -1.0 2.0
   73    62    61    56   1.10000 -1.0 2.0
   76    78    73    61   4.00000 -1.0 2.0
   81    77    76    73   1.10000 -1.0 2.0
   76    86    81    47   4.00000 -1.0 2.0
   50    44    43    37   1.10000 -1.0 2.0
   50    66    57    58  10.50000 -1.0 2.0
   38    53    45    46  10.50000 -1.0 2.0
   53    70    59    60  10.50000 -1.0 2.0
   70    80    74    75  10.50000 -1.0 2.0
END
