* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    163    243     474
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02127    32.92082   170.47271
    3     1 S   H    _H1_     3     1.02117    91.63330   -66.52330
    4     1 S   H    _H2_     4     1.02036    88.92295    42.18517
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C21    36     1.83264    97.78157   -80.00875
   34    33 S   HC   _H3_    37     1.09677   105.61830    35.06030
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C17    38     1.52854   108.83457   -80.03114
   39    38 S   HC   _H44    39     1.09527   110.37000   -66.09179
   40    38 S   HC   _H45    40     1.09579   111.07276   175.23873
   41    38 S   HC   _H46    41     1.09400   112.49783    54.22148
   42    33 S   CT   _C20    42     1.54741   113.68563   153.98736
   43    42 S   HC   _H51    43     1.10025   108.67104   -42.36663
   44    42 S   CO4  _C7_    44     1.52749   109.91223  -157.23648
   45    44 S   O    _O21    45     1.22451   124.95342   -93.03887
   46    42 S   CT   _C19    83     1.53540   115.13549    77.27467
   47    46 S   HC   _H49    84     1.09317   111.30541    65.14650
   48    46 S   HC   _H50    85     1.09497   112.35766   -57.18604
   49    44 S   OS   _O24    46     1.37206   109.94640    87.27750
   50    46 S   OH   _O22    86     1.42514   109.06280  -176.66469
   51    50 S   HO   _H53    87     0.96936   106.53934   179.93147
   52    49 S   CT   _C18    47     1.41912   116.01369   179.68286
   53    52 S   HC   _H47    48     1.09319   108.90519   -59.61188
   54    52 S   HC   _H48    49     1.09251   108.96475    59.55507
   55    52 S   CT   _C12    50     1.51962   108.86645  -179.96044
   56    55 S   HC   _H35    51     1.09406   106.60477    80.34124
   57    55 S   CT   _C8_    52     1.52521   114.20070  -160.45379
   58    57 S   HC   _H27    53     1.10649   111.22251    26.82897
   59    57 S   HC   _H28    54     1.10651   111.81955   -92.40095
   60    57 S   CT   _C10    55     1.52800   105.36172   146.24739
   61    60 S   HC   _H31    56     1.09769   109.16831   119.62419
   62    60 S   HC   _H32    57     1.09626   112.12937  -122.33691
   63    60 S   NT   _N19    58     1.47025   106.42869     3.28116
   64    63 S   CT   _C11    59     1.46944   112.90498  -142.57529
   65    64 S   HC   _H33    60     1.10891   112.02476   -14.34738
   66    64 S   HC   _H34    61     1.10570   110.99862  -133.40331
   67    64 S   CT   _C9_    62     1.52989   107.32472   104.86203
   68    67 S   HC   _H29    63     1.10808   109.99514   108.01447
   69    67 S   HC   _H30    64     1.10642   110.87692  -133.14736
   70    67 S   CT   _C14    65     1.52131   105.09072   -10.93033
   71    70 S   HC   _H37    66     1.10089   111.18731   148.39794
   72    55 S   CT   _C13    67     1.52310   115.56461   -38.96899
   73    72 S   HC   _H36    68     1.07903   110.15124    84.52104
   74    70 S   OS   _O23    69     1.42030   109.68851   -91.39956
   75    74 S   CO4  _C6_    70     1.36668   116.08513   -91.69419
   76    75 S   O    _O20    71     1.22288   125.48842     0.00000
   77    75 S   CM   _C5_    72     1.49472   109.84866  -179.79633
   78    77 S   CM   _C4_    73     1.34495   115.92548  -120.27758
   79    78 S   HC   _H26    74     1.08896   119.54945   178.72344
   80    77 S   CT   _C16    79     1.50061   118.28276    58.30462
   81    80 S   HC   _H41    80     1.09346   112.98469   -88.41289
   82    80 S   HC   _H42    81     1.09535   110.52347    30.49049
   83    80 S   HC   _H43    82     1.09518   110.37520   150.56431
   84    78 S   CT   _C15    75     1.49674   127.21478     0.04846
   85    84 S   HC   _H38    76     1.09497   109.36463   -91.23723
   86    84 S   HC   _H39    77     1.09139   113.70273   148.93553
   87    84 S   HC   _H40    78     1.09412   109.79485    27.17526
  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
  14   8   2   1   1   7   3   2   1  10   7  10   3   5   3   2
   7   1   1  12   5   4  15   8  10   6   5  10   4   3  11  10
   6   5   8   5   4   7   4   3   1   5   9   3  10   9   5   4
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    52    46    47    48    50    51  
   44    45    49    46    47    48    50  
   45    49    52    53    54    55    46    47    48    50  
   49    52    46  
   47    48    50    51    49  
   48    50    51  
   50    51  
   52    53    54    55    56    57    72  
   51  
    0  
   53    54    55    56    57    58    59    60    63    70    72    73  
   54    55    56    57    72  
   55    56    57    72  
   56    57    58    59    60    61    62    63    64    67    70    71    72    73    74  
   57    58    59    60    63    70    72    73  
   58    59    60    61    62    63    64    70    72    73  
   59    60    61    62    63    72  
   60    61    62    63    72  
   61    62    63    64    65    66    67    70    72    73  
   62    63    64    72  
   63    64    72  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    70    72  
   67    68    69    70    72  
   68    69    70    71    72    73    74    75  
   69    70    71    72    74  
   70    71    72    74  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75  
   74  
   75    76    77    78    80  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84  
   82    83  
   83  
    0  
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    72   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   382.000  1.448
   63    64   382.000  1.448
   63    72   382.000  1.448
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    51   553.000  0.945
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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    52    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    50.00000  109.50000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    72    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    58.35000  112.70000
   55    72    63    56.20000  109.47000
   55    72    70    58.35000  112.70000
   55    72    73    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    56.20000  109.47000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    51.80000  107.20000
   60    63    72    51.80000  107.20000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    67    56.20000  109.47000
   63    72    70    56.20000  109.47000
   63    72    73    35.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    74    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    74    75    83.00000  116.90000
   72    55    56    37.50000  110.70000
   72    55    57    58.35000  112.70000
   72    63    64    51.80000  107.20000
   72    70    71    37.50000  110.70000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    84    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    86    35.00000  109.50000
   78    84    87    35.00000  109.50000
   84    78    79    35.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    51    55.00000  108.50000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.86500  1.0 1.0
   33    42    46    50  -0.17500 -1.0 2.0
   33    42    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    52   1.63150  1.0 1.0
   42    44    49    52   2.92000 -1.0 2.0
   42    46    50    51  -0.11600  1.0 1.0
   42    46    50    51  -0.09450 -1.0 2.0
   42    46    50    51   0.21250  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    52    53   0.08050  1.0 3.0
   44    49    52    54   0.08050  1.0 3.0
   44    49    52    55  -0.25900  1.0 1.0
   44    49    52    55  -0.47000 -1.0 2.0
   44    49    52    55   0.11750  1.0 3.0
   45    44    49    52   3.00000 -1.0 2.0
   49    52    55    56   0.23400  1.0 3.0
   49    52    55    57   0.62750  1.0 1.0
   49    52    55    57  -0.30950 -1.0 2.0
   49    52    55    57   0.27300  1.0 3.0
   49    52    55    72   0.62750  1.0 1.0
   49    52    55    72  -0.30950 -1.0 2.0
   49    52    55    72   0.27300  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    60   0.56750  1.0 1.0
   52    55    57    60  -0.07550 -1.0 2.0
   52    55    57    60   0.20000  1.0 3.0
   52    55    72    63   1.53400  1.0 1.0
   52    55    72    63  -0.09950 -1.0 2.0
   52    55    72    63   0.05700  1.0 3.0
   52    55    72    70   0.56750  1.0 1.0
   52    55    72    70  -0.07550 -1.0 2.0
   52    55    72    70   0.20000  1.0 3.0
   52    55    72    73   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    72   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    72   0.15000  1.0 3.0
   55    57    60    61   0.15000  1.0 3.0
   55    57    60    62   0.15000  1.0 3.0
   55    57   -60    63   1.53400  1.0 1.0
   55    57   -60    63  -0.09950 -1.0 2.0
   55    57   -60    63   0.05700  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    72    63   0.15000  1.0 3.0
   56    55    72    70   0.15000  1.0 3.0
   56    55    72    73   0.15000  1.0 3.0
   57    55   -72    63   1.53400  1.0 1.0
   57    55   -72    63  -0.09950 -1.0 2.0
   57    55   -72    63   0.05700  1.0 3.0
   57    55    72    70   0.56750  1.0 1.0
   57    55    72    70  -0.07550 -1.0 2.0
   57    55    72    70   0.20000  1.0 3.0
   57    55    72    73   0.15000  1.0 3.0
   57    60    63    64   0.23450  1.0 1.0
   57    60    63    64   0.02050 -1.0 2.0
   57    60    63    64   0.25250  1.0 3.0
   57    60   -63    72   0.23450  1.0 1.0
   57    60   -63    72   0.02050 -1.0 2.0
   57    60   -63    72   0.25250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    64    65   0.28000  1.0 3.0
   60    63    64    66   0.28000  1.0 3.0
   60    63    64    67   0.23450  1.0 1.0
   60    63    64    67   0.02050 -1.0 2.0
   60    63    64    67   0.25250  1.0 3.0
   60    63   -72    55   0.23450  1.0 1.0
   60    63   -72    55   0.02050 -1.0 2.0
   60    63   -72    55   0.25250  1.0 3.0
   60    63    72    70   0.23450  1.0 1.0
   60    63    72    70   0.02050 -1.0 2.0
   60    63    72    70   0.25250  1.0 3.0
   60    63    72    73   0.28000  1.0 3.0
   61    60    63    64   0.28000  1.0 3.0
   61    60    63    72   0.28000  1.0 3.0
   62    60    63    64   0.28000  1.0 3.0
   62    60    63    72   0.28000  1.0 3.0
   63    64    67    68   0.15000  1.0 3.0
   63    64    67    69   0.15000  1.0 3.0
   63    64   -67    70   1.53400  1.0 1.0
   63    64   -67    70  -0.09950 -1.0 2.0
   63    64   -67    70   0.05700  1.0 3.0
   64    63    72    55   0.23450  1.0 1.0
   64    63    72    55   0.02050 -1.0 2.0
   64    63    72    55   0.25250  1.0 3.0
   64    63   -72    70   0.23450  1.0 1.0
   64    63   -72    70   0.02050 -1.0 2.0
   64    63   -72    70   0.25250  1.0 3.0
   64    63    72    73   0.28000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67   -70    72   0.56750  1.0 1.0
   64    67   -70    72  -0.07550 -1.0 2.0
   64    67   -70    72   0.20000  1.0 3.0
   64    67    70    74   0.62750  1.0 1.0
   64    67    70    74  -0.30950 -1.0 2.0
   64    67    70    74   0.27300  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    55   0.56750  1.0 1.0
   67    70    72    55  -0.07550 -1.0 2.0
   67    70    72    55   0.20000  1.0 3.0
   67    70   -72    63   1.53400  1.0 1.0
   67    70   -72    63  -0.09950 -1.0 2.0
   67    70   -72    63   0.05700  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    74    75  -0.25900  1.0 1.0
   67    70    74    75  -0.47000 -1.0 2.0
   67    70    74    75   0.11750  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    74   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    74   0.23400  1.0 3.0
   70    74    75    76   3.00000 -1.0 2.0
   70    74    75    77   2.00000 -1.0 2.0
   71    70    72    55   0.15000  1.0 3.0
   71    70    72    63   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    74    75   0.08050  1.0 3.0
   72    55    57    58   0.15000  1.0 3.0
   72    55    57    59   0.15000  1.0 3.0
   72    55   -57    60   0.56750  1.0 1.0
   72    55   -57    60  -0.07550 -1.0 2.0
   72    55   -57    60   0.20000  1.0 3.0
   72    63    64    65   0.28000  1.0 3.0
   72    63    64    66   0.28000  1.0 3.0
   72    63   -64    67   0.23450  1.0 1.0
   72    63   -64    67   0.02050 -1.0 2.0
   72    63   -64    67   0.25250  1.0 3.0
   72    70    74    75  -0.25900  1.0 1.0
   72    70    74    75  -0.47000 -1.0 2.0
   72    70    74    75   0.11750  1.0 3.0
   74    70    72    55   0.62750  1.0 1.0
   74    70    72    55  -0.30950 -1.0 2.0
   74    70    72    55   0.27300  1.0 3.0
   74    70    72    63   1.74050  1.0 1.0
   74    70    72    73   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    84    85   0.00000  1.0 1.0
   77    78    84    86   0.00000  1.0 1.0
   77    78    84    87   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    86   0.33100  1.0 3.0
   79    78    84    87   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51   0.19450  1.0 3.0
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
   42    49    44    45  10.50000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
END
