* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    197    323     593
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02091    45.72150  -133.92321
    3     1 S   H    _H1_     3     1.02092   104.92836   -32.26079
    4     1 S   H    _H2_     4     1.02103    67.05797    72.10887
    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   _C17    36     1.85740    97.03060   161.87262
   34    33 S   HC   _H3_    37     1.09920   103.35781    33.96514
   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   _C9_    38     1.52887   106.75247   -80.02514
   39    38 S   HC   _H36    39     1.09420   111.27236   165.66816
   40    38 S   HC   _H37    40     1.09722   111.12821    47.36471
   41    38 S   CO4  _C6_    41     1.50974   111.12000   -73.99191
   42    41 S   O    _O25    42     1.22868   121.91372   146.78683
   43    41 S   CM   _C4_    43     1.48037   117.95234   -37.48865
   44    43 S   HC   _H33    44     1.08484   116.61551  -165.40681
   45    43 S   CM   _C5_    45     1.34333   121.09708     7.95414
   46    45 S   CT   _C8_    46     1.51019   119.29112  -166.43560
   47    46 S   HC   _H34    47     1.09466   110.79626  -126.85770
   48    46 S   HC   _H35    48     1.09655   111.51257    -9.21060
   49    46 S   CT   _C10    49     1.52880   108.93503   110.97532
   50    49 S   HC   _H38    50     1.09660   108.66627   174.93693
   51    49 S   HC   _H39    51     1.09917   108.94217   -69.42584
   52    49 S   CT   _C13    52     1.54267   113.04818    52.58181
   53    52 S   HC   _H44    53     1.09315   106.89588    69.73340
   54    52 S   CT   _C14    54     1.53436   110.64931  -172.21545
   55    54 S   HC   _H45    55     1.10050   105.99454    64.91466
   56    52 S   CT   _C21    68     1.57467   111.79584   -50.75915
   57    56 S   F    _F31    69     1.38498   105.08306   -61.05849
   58    54 S   CT   _C11    56     1.53132   119.19013   -54.15920
   59    58 S   HC   _H40    57     1.09624   110.18423   -43.26063
   60    58 S   HC   _H41    58     1.09397   111.84498    77.24031
   61    33 S   CT   _C18    70     1.57921   115.51123   153.17975
   62    58 S   CT   _C15    59     1.54381   103.99833  -161.23747
   63    62 S   HC   _H46    60     1.09527   109.99357   133.50098
   64    61 S   CT   _C23    71     1.55716   109.19086   -37.42079
   65    64 S   HC   _H49    72     1.07896   108.32054   -59.35737
   66    64 S   HC   _H50    73     1.07857   108.34967  -179.43698
   67    64 S   HC   _H51    74     1.07996   108.32241    60.57570
   68    62 S   CT   _C19    61     1.53091   106.67405     9.00676
   69    54 S   CT   _C20    62     1.54548   113.09460  -176.22862
   70    68 S   OS   _O28    81     1.42514   105.10421   -99.01364
   71    68 S   CO4  _C7_    92     1.50094   114.29406   144.82526
   72    71 S   O    _O26    93     1.23106   121.24195   -30.04156
   73    69 S   CT   _C12    63     1.53998   107.36939   -62.38677
   74    73 S   HC   _H42    64     1.09669   109.75961   -65.06916
   75    73 S   HC   _H43    65     1.09672   109.48315   178.10700
   76    69 S   CT   _C24    77     1.55353   113.47753    60.22022
   77    76 S   HC   _H52    78     1.08064   108.48320    59.22950
   78    76 S   HC   _H53    79     1.08071   108.52402   -60.67965
   79    76 S   HC   _H54    80     1.08030   108.56815   179.27638
   80    70 S   CO   _C22    82     1.43087   106.77755   -20.04321
   81    71 S   CT   _C27    94     1.51334   116.31507   150.00743
   82    81 S   HC   _H61    95     1.09342   109.76790    60.00708
   83    81 S   HC   _H62    96     1.09304   109.02582   -60.28130
   84    73 S   CT   _C16    66     1.54752   113.40457    55.20422
   85    84 S   HC   _H47    67     1.09568   105.23130  -168.80469
   86    62 S   OS   _O27    83     1.42506   110.85192  -106.40338
   87    80 S   CT   _C25    84     1.52584   109.25603  -105.21003
   88    87 S   HC   _H55    85     1.08905   109.90881    60.20155
   89    87 S   HC   _H56    86     1.08916   109.89559   -59.76024
   90    87 S   HC   _H57    87     1.08927   109.87751  -179.70792
   91    80 S   CT   _C26    88     1.52407   108.87487   134.06183
   92    91 S   HC   _H58    89     1.08989   110.00180   -59.96947
   93    91 S   HC   _H59    90     1.08943   109.96476   180.00000
   94    91 S   HC   _H60    91     1.08969   109.97056    59.99287
   95    81 S   OH   _O30    97     1.41205   110.69756  -179.42973
   96    95 S   HO   _H64    98     0.97373   107.33368   179.98022
   97    84 S   OH   _O29    75     1.41872   108.76887    76.62403
   98    97 S   HO   _H63    76     0.97178   106.90345    60.02138
  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
  18   8   2   1   1  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  18   8  22   9  15   6  12   6   5   8  13   6   4
   2   1   1  20  16  15  10   4  10   5   4   4   2   1   1   9
   4   3   2   3   2   8   7   3   2   1   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    84    56    57    61    64    65    66    67  
   38    39    40    41    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    64  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    64  
   45    46    61  
   46    47    48    49    50    51    52    84    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    69    84    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    69    73    84    85    56    57    61    64    97    76  
   54    55    58    69    84    56    57    61  
   55    58    59    60    62    63    68    69    73    74    75    84    56    57    61    76    77    78    79    70    86    71  
   58    59    60    62    68    69    73    56    76  
   57    61    64    65    66    67    97    98    58    69    73    74    75    84    85  
   61    64    97    73    84    85  
   59    60    62    63    68    69    73    76    70    80    86    71  
   60    62    63    68    69    86  
   62    63    68    69    86  
   64    65    66    67    97    73    84    85  
   63    68    69    73    76    70    80    86    87    91    71    72    81  
   68    69    70    80    86    71  
   65    66    67    84  
   66    67  
   67  
    0  
   69    73    74    75    84    76    77    78    79    70    80    86    87    91    71    72    81    82    83    95  
   73    74    75    84    85    97    76    77    78    79    70    80    86    71    72    81  
   80    86    87    88    89    90    91    92    93    94    71    72    81    73    76  
   72    81    82    83    95    96    73    76    80    86  
   81    82    83    95  
   74    75    84    85    97    98    76    77    78    79  
   75    84    85    97    76  
   84    85    97    76  
   77    78    79    84  
   78    79  
   79  
    0  
   86    87    88    89    90    91    92    93    94  
   82    83    95    96  
   83    95    96  
   95    96  
   85    97    98  
   97    98  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    0  
   96  
    0  
   98  
    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  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    69   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    86   320.000  1.410
   68    69   268.000  1.529
   68    70   320.000  1.410
   68    71   317.000  1.522
   69    73   268.000  1.529
   69    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    84   268.000  1.529
   84    85   340.000  1.090
   84    56   268.000  1.529
   84    97   320.000  1.410
   56    57   367.000  1.332
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   97    98   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    80   320.000  1.380
   80    86   320.000  1.380
   80    87   250.000  1.527
   80    91   250.000  1.527
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   71    72   570.000  1.229
   71    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    95   320.000  1.410
   95    96   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    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    69    58.35000  112.70000
   52    56    84    58.35000  112.70000
   52    56    57    50.00000  109.50000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    69    68    58.35000  112.70000
   54    69    73    58.35000  112.70000
   54    69    76    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    86    50.00000  109.50000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    69    58.35000  112.70000
   62    68    70    50.00000  109.50000
   62    68    71    63.00000  111.10000
   62    86    80    60.00000  109.50000
   68    62    63    37.50000  110.70000
   68    69    73    58.35000  112.70000
   68    69    76    58.35000  112.70000
   68    70    80    60.00000  109.50000
   68    71    72    80.00000  120.40000
   68    71    81    70.00000  116.00000
   69    54    55    37.50000  110.70000
   69    54    58    58.35000  112.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    84    58.35000  112.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   73    84    85    37.50000  110.70000
   73    84    56    58.35000  112.70000
   73    84    97    50.00000  109.50000
   75    73    74    33.00000  107.80000
   84    73    74    37.50000  110.70000
   84    73    75    37.50000  110.70000
   84    56    57    50.00000  109.50000
   84    56    61    58.35000  112.70000
   84    97    98    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    84    85    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   97    84    85    35.00000  109.50000
   97    84    56    50.00000  109.50000
   76    69    73    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    68    69    50.00000  109.50000
   70    80    86    92.60000  111.55000
   70    80    87    90.00000  108.56700
   70    80    91    90.00000  108.56700
   80    87    88    45.00000  108.72000
   80    87    89    45.00000  108.72000
   80    87    90    45.00000  108.72000
   80    91    92    45.00000  108.72000
   80    91    93    45.00000  108.72000
   80    91    94    45.00000  108.72000
   86    62    63    35.00000  109.50000
   86    62    68    50.00000  109.50000
   87    80    86    90.00000  108.56700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    80    86    90.00000  108.56700
   91    80    87    65.00000  112.71400
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   71    68    69    63.00000  111.10000
   71    68    70    90.00000  108.74100
   71    81    82    35.00000  109.50000
   71    81    83    35.00000  109.50000
   71    81    95    90.00000  109.61100
   81    71    72    80.00000  120.40000
   81    95    96    55.00000  108.50000
   83    81    82    33.00000  107.80000
   95    81    82    35.00000  109.50000
   95    81    83    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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
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   70    80    87    88   0.23400  1.0 3.0
   70    80    87    89   0.23400  1.0 3.0
   70    80    87    90   0.23400  1.0 3.0
   70    80    91    92   0.23400  1.0 3.0
   70    80    91    93   0.23400  1.0 3.0
   70    80    91    94   0.23400  1.0 3.0
   86    62    68    69   0.62750  1.0 1.0
   86    62    68    69  -0.30950 -1.0 2.0
   86    62    68    69   0.27300  1.0 3.0
   86    62   -68    70   1.11900  1.0 1.0
   86    62   -68    70  -1.16350 -1.0 2.0
   86    62   -68    70  -0.34150  1.0 3.0
   86    62    68    71  -0.09450  1.0 1.0
   86    62    68    71  -1.12950 -1.0 2.0
   86    62    68    71   0.54000  1.0 3.0
   86    80    87    88   0.23400  1.0 3.0
   86    80    87    89   0.23400  1.0 3.0
   86    80    87    90   0.23400  1.0 3.0
   86    80    91    92   0.23400  1.0 3.0
   86    80    91    93   0.23400  1.0 3.0
   86    80    91    94   0.23400  1.0 3.0
   87    80    86    62   0.06250  1.0 1.0
   87    80    86    62  -0.01100 -1.0 2.0
   87    80    86    62   0.28050  1.0 3.0
   87    80    91    92   0.15000  1.0 3.0
   87    80    91    93   0.15000  1.0 3.0
   87    80    91    94   0.15000  1.0 3.0
   91    80    86    62   0.06250  1.0 1.0
   91    80    86    62  -0.01100 -1.0 2.0
   91    80    86    62   0.28050  1.0 3.0
   91    80    87    88   0.15000  1.0 3.0
   91    80    87    89   0.15000  1.0 3.0
   91    80    87    90   0.15000  1.0 3.0
   71    68    69    54  -0.95700  1.0 1.0
   71    68    69    54  -0.18200 -1.0 2.0
   71    68    69    54   0.29450  1.0 3.0
   71    68    69    73  -0.95700  1.0 1.0
   71    68    69    73  -0.18200 -1.0 2.0
   71    68    69    73   0.29450  1.0 3.0
   71    68    69    76  -0.95700  1.0 1.0
   71    68    69    76  -0.18200 -1.0 2.0
   71    68    69    76   0.29450  1.0 3.0
   71    68    70    80  -1.11000  1.0 1.0
   71    68    70    80   0.50250 -1.0 2.0
   71    68    70    80   0.47450  1.0 3.0
   71    81    95    96   0.91850  1.0 1.0
   71    81    95    96   0.57950  1.0 3.0
   72    71    81    82   0.00000  1.0 1.0
   72    71    81    83   0.00000  1.0 1.0
   72    71    81    95   0.30150 -1.0 2.0
   82    81    95    96   0.19450  1.0 3.0
   83    81    95    96   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
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   68    81    71    72  10.50000 -1.0 2.0
END
