* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    169    250     498
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02031   102.80911   -40.90859
    3     1 S   H    _H1_     3     1.02150    72.58746    64.95622
    4     1 S   H    _H2_     4     1.02127    41.14617  -144.71081
    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   _C19    36     1.86231    96.89668   161.87619
   34    33 S   HC   _H3_    37     1.09539   104.09229   -43.45689
   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     1.55009   109.12064  -159.99123
   39    38 S   HC   _H44    39     1.09753   110.26829   -69.55187
   40    33 S   CT   _C18    71     1.57503   106.80478    72.44679
   41    40 S   HC   _H45    72     1.10133   104.67192   -33.25970
   42    38 S   CO4  _C7_    40     1.51540   112.47976   167.66407
   43    42 S   O    _O24    41     1.22507   124.12622   -53.10405
   44    40 S   CT   _C22    73     1.53742   112.89571    79.94961
   45    44 S   HC   _H50    74     1.08537   109.33956    66.75910
   46    44 S   HC   _H51    75     1.08566   109.27844   -53.21074
   47    44 S   HC   _H52    76     1.08552   109.28888  -173.19758
   48    38 S   CM   _C10    88     1.50491   114.58919    51.93243
   49    48 S   HC   _H34    89     1.08553   117.18151    57.07472
   50    42 S   OS   _O28    42     1.36447   109.51735   130.22681
   51    48 S   CM   _C9_    90     1.33728   123.99918  -122.94286
   52    51 S   HC   _H32    91     1.08391   120.45167  -179.98022
   53    51 S   HC   _H33    92     1.08493   121.57589     0.02798
   54    50 S   CT   _C16    43     1.42859   118.48171   170.74840
   55    54 S   HC   _H43    44     1.09814   109.99503   -11.64664
   56    54 S   CO4  _C6_    45     1.52733   112.86959   105.29262
   57    56 S   O    _O23    46     1.23209   121.03329  -152.81538
   58    54 S   CT   _C14    57     1.53488   110.60331  -130.09910
   59    58 S   HC   _H39    58     1.09765   110.07322  -157.25945
   60    58 S   HC   _H40    59     1.09955   107.52427    88.59476
   61    56 S   CM   _C5_    47     1.48713   119.72903    26.84244
   62    61 S   CM   _C4_    48     1.34240   119.84071    67.08403
   63    62 S   HC   _H31    49     1.08885   118.05926   178.81238
   64    61 S   CT   _C13    64     1.49875   116.69245  -117.42162
   65    64 S   HC   _H37    65     1.09678   110.62654  -150.27339
   66    64 S   HC   _H38    66     1.09618   112.11464   -32.08342
   67    62 S   CT   _C12    50     1.50310   126.77609    -0.63366
   68    67 S   HC   _H35    51     1.09634   110.85288    45.24379
   69    67 S   HC   _H36    52     1.09889   107.30354   158.02861
   70    64 S   OS   _O27    67     1.43881   110.05441    92.05167
   71    67 S   NT   _N22    53     1.46243   109.81266   -80.68152
   72    70 S   CO4  _C8_    68     1.36311   118.41736   -91.91100
   73    72 S   O    _O25    69     1.22480   125.21634     2.69094
   74    71 S   CT   _C15    54     1.46475   114.50762   114.68121
   75    74 S   HC   _H41    55     1.09801   107.91224  -168.78212
   76    74 S   HC   _H42    56     1.09812   110.14291    75.70000
   77    71 S   CT   _C24    60     1.46017   112.28470  -117.21021
   78    77 S   HC   _H56    61     1.09256   110.07560   179.97202
   79    77 S   HC   _H57    62     1.09315   110.23100    59.96997
   80    77 S   HC   _H58    63     1.09332   110.23994   -59.96766
   81    72 S   CT   _C20    70     1.52850   110.61966  -173.72227
   82    81 S   CT   _C23    77     1.54092   107.75878    62.18817
   83    82 S   HC   _H53    78     1.08437   109.10085   179.97202
   84    82 S   HC   _H54    79     1.08451   109.15416    59.98833
   85    82 S   HC   _H55    80     1.08395   109.13375   -60.08066
   86    81 S   OS   _O29    81     1.43273   105.98054   175.46400
   87    86 S   CO4  _C11    82     1.36336   115.38684   -60.02564
   88    87 S   O    _O26    83     1.22360   126.48112     0.05595
   89    87 S   CT   _C21    84     1.49813   109.47695  -180.00000
   90    89 S   HC   _H47    85     1.09263   109.83075   -89.96306
   91    89 S   HC   _H48    86     1.09309   109.86340   148.08801
   92    89 S   HC   _H49    87     1.09386   109.37092    29.06486
  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
  19   8   2   1   1  14   7  17   8   9   3   7   3   2   1   5
   3   9   2   1   1  13   7  13   4   9   5   4  11  11   5   7
   3   2  10   4   3   5   7   8   3   6   2   1   3   2   1   1
   8   5   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    81    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    72    81    40    41    44    45    46    47    82    86    48    49    51  
   38    39    42    81    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    81    40    41    44    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    82    83    84    85    86    87    48    42    70    72    73    81  
   44    45    46    47    82    86    72    81  
   43    50    54    55    56    58    48    49    51  
   50    54    48  
   45    46    47    82    86    72    81  
   46    47    81  
   47    81  
   81  
   49    51    52    53    50  
   51    52    53  
   54    55    56    57    61    74    58    59    60  
   52    53  
   53  
    0  
   55    56    57    61    62    71    74    75    76    58    59    60    64  
   56    57    61    74    58    59    60  
   57    61    62    63    67    74    58    59    60    64    65    66    70  
   61    62    58    64  
   59    60    77    61    67    71    74    75    76  
   60    71    74    75    76  
   71    74    75    76  
   62    63    67    68    69    71    64    65    66    70    72  
   63    67    68    69    71    74    77    64    65    66    70  
   67    68    69    71    64  
   65    66    70    72    73    81    67  
   66    70    72  
   70    72  
   68    69    71    74    75    76    77    78    79    80  
   69    71    74    77  
   71    74    77  
   72    73    81    82    86  
   74    75    76    77    78    79    80  
   73    81    82    83    84    85    86    87  
   81    82    86  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86  
   85    86  
   86  
   87    88    89    90    91    92  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.180000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    48   317.000  1.510
   42    43   570.000  1.229
   42    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    58   268.000  1.529
   56    57   570.000  1.229
   56    61   320.000  1.462
   61    62   549.000  1.340
   61    64   317.000  1.510
   62    63   340.000  1.080
   62    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   382.000  1.448
   71    74   382.000  1.448
   71    77   382.000  1.448
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   320.000  1.410
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    81   317.000  1.522
   81    40   268.000  1.529
   81    82   268.000  1.529
   81    86   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   214.000  1.327
   87    88   570.000  1.229
   87    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    53   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    48    70.00000  112.02700
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    50    81.00000  111.40000
   38    48    49    35.00000  117.00000
   38    48    51    70.00000  124.00000
   42    38    39    35.00000  109.50000
   42    50    54    83.00000  116.90000
   50    42    43    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    56    90.00000  108.74100
   50    54    58    50.00000  109.50000
   54    56    57    80.00000  120.40000
   54    56    61    65.00000  118.62400
   54    58    74    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   56    54    55    35.00000  109.50000
   56    61    62    65.00000  118.96000
   56    61    64    65.00000  116.34900
   61    56    57    80.00000  123.72100
   61    62    63    35.00000  120.00000
   61    62    67    70.00000  124.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    70    85.00000  110.90400
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    71    75.00000  110.70900
   67    62    63    35.00000  117.00000
   67    71    74    51.80000  107.20000
   67    71    77    51.80000  107.20000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    58    56.20000  109.47000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   74    58    59    37.50000  110.70000
   74    58    60    37.50000  110.70000
   76    74    75    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    63.00000  111.10000
   58    74    75    37.50000  110.70000
   58    74    76    37.50000  110.70000
   60    58    59    33.00000  107.80000
   77    71    74    51.80000  107.20000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   64    61    62    70.00000  124.00000
   64    70    72    83.00000  116.90000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    72    73    83.00000  123.40000
   70    72    81    81.00000  111.40000
   72    81    40    63.00000  111.10000
   72    81    82    63.00000  111.10000
   72    81    86    90.00000  108.74100
   81    72    73    80.00000  120.40000
   81    40    41    37.50000  110.70000
   81    40    44    58.35000  112.70000
   81    82    83    37.50000  110.70000
   81    82    84    37.50000  110.70000
   81    82    85    37.50000  110.70000
   81    86    87    83.00000  116.90000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   82    81    40    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    81    40    50.00000  109.50000
   86    81    82    50.00000  109.50000
   86    87    88    83.00000  123.40000
   86    87    89    81.00000  111.40000
   87    89    90    35.00000  109.50000
   87    89    91    35.00000  109.50000
   87    89    92    35.00000  109.50000
   89    87    88    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  109.06800
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   51    48    49    35.00000  120.00000
   53    51    52    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.36750  1.0 3.0
   33    38    48    49   0.00000  1.0 1.0
   33    38    48    51   0.09850  1.0 1.0
   33    38    48    51   0.15250 -1.0 2.0
   33    38    48    51  -0.50650  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    38    48   0.15000  1.0 3.0
   34    33    40    81   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    81   0.56750  1.0 1.0
   38    33    40    81  -0.07550 -1.0 2.0
   38    33    40    81   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    50    54   1.63150  1.0 1.0
   38    42    50    54   2.92000 -1.0 2.0
   38    48    51    52   7.00000 -1.0 2.0
   38    48    51    53   7.00000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.33100  1.0 3.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.00000  1.0 1.0
   42    38    48    51  -0.51250  1.0 1.0
   42    38    48    51  -0.88800 -1.0 2.0
   42    38    48    51   0.08850  1.0 3.0
   42    50    54    55   0.08050  1.0 3.0
   42    50    54    56  -1.80650  1.0 1.0
   42    50    54    56   0.63900 -1.0 2.0
   42    50    54    56   0.03650  1.0 3.0
   42    50    54    58  -0.25900  1.0 1.0
   42    50    54    58  -0.47000 -1.0 2.0
   42    50    54    58   0.11750  1.0 3.0
   43    42    50    54   3.00000 -1.0 2.0
   50    54    56    57   0.30150 -1.0 2.0
   50    54    56    61   0.65300  1.0 1.0
   50    54    56    61  -0.03850 -1.0 2.0
   50    54    56    61   0.33900  1.0 3.0
   50    54    58    74   0.62750  1.0 1.0
   50    54    58    74  -0.30950 -1.0 2.0
   50    54    58    74   0.27300  1.0 3.0
   50    54    58    59   0.23400  1.0 3.0
   50    54    58    60   0.23400  1.0 3.0
   54    56    61    62  -0.33500  1.0 1.0
   54    56    61    62   1.06600 -1.0 2.0
   54    56    61    62  -0.14000  1.0 3.0
   54    56    61    64   0.25700  1.0 1.0
   54    56    61    64   0.66200 -1.0 2.0
   54    56    61    64   0.04450  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    61   0.00000  1.0 1.0
   55    54    58    74   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   56    54    58    74  -0.95700  1.0 1.0
   56    54    58    74  -0.18200 -1.0 2.0
   56    54    58    74   0.29450  1.0 3.0
   56    54    58    59  -0.11250  1.0 3.0
   56    54    58    60  -0.11250  1.0 3.0
   56    61    62    63   7.00000 -1.0 2.0
   56    61    62    67   7.00000 -1.0 2.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61    64    70   0.09700  1.0 1.0
   56    61    64    70   0.15600 -1.0 2.0
   56    61    64    70  -0.50800  1.0 3.0
   57    56    61    62   1.00000 -1.0 2.0
   57    56    61    64  -0.64400  1.0 1.0
   57    56    61    64   0.26850 -1.0 2.0
   61    62    67    68   0.00000  1.0 1.0
   61    62    67    69   0.00000  1.0 1.0
   61    62    67    71   0.90200  1.0 1.0
   61    62    67    71   0.57900 -1.0 2.0
   61    62    67    71  -0.62100  1.0 3.0
   61    64    70    72  -0.82050  1.0 1.0
   61    64    70    72   0.00600 -1.0 2.0
   61    64    70    72   0.04400  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    70   0.39000  1.0 1.0
   62    61    64    70  -0.05800 -1.0 2.0
   62    61    64    70  -0.55150  1.0 3.0
   62    67    71    74  -0.60800  1.0 1.0
   62    67    71    74   1.10050 -1.0 2.0
   62    67    71    74   0.47000  1.0 3.0
   62    67    71    77  -0.60800  1.0 1.0
   62    67    71    77   1.10050 -1.0 2.0
   62    67    71    77   0.47000  1.0 3.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    69   0.33100  1.0 3.0
   63    62    67    71   0.00000  1.0 1.0
   67    71    74    75   0.28000  1.0 3.0
   67    71    74    76   0.28000  1.0 3.0
   67    71    74    58   0.23450  1.0 1.0
   67    71    74    58   0.02050 -1.0 2.0
   67    71    74    58   0.25250  1.0 3.0
   67    71    77    78   0.28000  1.0 3.0
   67    71    77    79   0.28000  1.0 3.0
   67    71    77    80   0.28000  1.0 3.0
   68    67    71    74   0.28000  1.0 3.0
   68    67    71    77   0.28000  1.0 3.0
   69    67    71    74   0.28000  1.0 3.0
   69    67    71    77   0.28000  1.0 3.0
   71    74    58    54   1.53400  1.0 1.0
   71    74    58    54  -0.09950 -1.0 2.0
   71    74    58    54   0.05700  1.0 3.0
   71    74    58    59   0.15000  1.0 3.0
   71    74    58    60   0.15000  1.0 3.0
   74    71    77    78   0.28000  1.0 3.0
   74    71    77    79   0.28000  1.0 3.0
   74    71    77    80   0.28000  1.0 3.0
   75    74    58    54   0.15000  1.0 3.0
   75    74    58    59   0.15000  1.0 3.0
   75    74    58    60   0.15000  1.0 3.0
   76    74    58    54   0.15000  1.0 3.0
   76    74    58    59   0.15000  1.0 3.0
   76    74    58    60   0.15000  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    61   0.65300  1.0 1.0
   58    54    56    61  -0.03850 -1.0 2.0
   58    54    56    61   0.33900  1.0 3.0
   77    71    74    75   0.28000  1.0 3.0
   77    71    74    76   0.28000  1.0 3.0
   77    71    74    58   0.23450  1.0 1.0
   77    71    74    58   0.02050 -1.0 2.0
   77    71    74    58   0.25250  1.0 3.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    67   7.00000 -1.0 2.0
   64    70    72    73   3.00000 -1.0 2.0
   64    70    72    81   1.63150  1.0 1.0
   64    70    72    81   2.92000 -1.0 2.0
   65    64    70    72   0.08050  1.0 3.0
   66    64    70    72   0.08050  1.0 3.0
   70    72    81    40   0.36750  1.0 3.0
   70    72    81    82   0.36750  1.0 3.0
   70    72    81    86   0.40000  1.0 3.0
   72    81    40    33  -0.95700  1.0 1.0
   72    81    40    33  -0.18200 -1.0 2.0
   72    81    40    33   0.29450  1.0 3.0
   72    81    40    41  -0.11250  1.0 3.0
   72    81    40    44  -0.95700  1.0 1.0
   72    81    40    44  -0.18200 -1.0 2.0
   72    81    40    44   0.29450  1.0 3.0
   72    81    82    83  -0.11250  1.0 3.0
   72    81    82    84  -0.11250  1.0 3.0
   72    81    82    85  -0.11250  1.0 3.0
   72    81    86    87  -1.80650  1.0 1.0
   72    81    86    87   0.63900 -1.0 2.0
   72    81    86    87   0.03650  1.0 3.0
   73    72    81    40   0.30150 -1.0 2.0
   73    72    81    82   0.30150 -1.0 2.0
   73    72    81    86   0.30150 -1.0 2.0
   81    40    44    45   0.15000  1.0 3.0
   81    40    44    46   0.15000  1.0 3.0
   81    40    44    47   0.15000  1.0 3.0
   81    86    87    88   3.00000 -1.0 2.0
   81    86    87    89   1.63150  1.0 1.0
   81    86    87    89   2.92000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33    38    48   0.34400  1.0 1.0
   40    33    38    48   0.09450 -1.0 2.0
   40    33    38    48   0.11100  1.0 3.0
   40    81    82    83   0.15000  1.0 3.0
   40    81    82    84   0.15000  1.0 3.0
   40    81    82    85   0.15000  1.0 3.0
   40    81    86    87  -0.25900  1.0 1.0
   40    81    86    87  -0.47000 -1.0 2.0
   40    81    86    87   0.11750  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   82    81    40    33   0.56750  1.0 1.0
   82    81    40    33  -0.07550 -1.0 2.0
   82    81    40    33   0.20000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    44   0.56750  1.0 1.0
   82    81    40    44  -0.07550 -1.0 2.0
   82    81    40    44   0.20000  1.0 3.0
   82    81    86    87  -0.25900  1.0 1.0
   82    81    86    87  -0.47000 -1.0 2.0
   82    81    86    87   0.11750  1.0 3.0
   86    81    40    33   0.62750  1.0 1.0
   86    81    40    33  -0.30950 -1.0 2.0
   86    81    40    33   0.27300  1.0 3.0
   86    81    40    41   0.23400  1.0 3.0
   86    81    40    44   0.62750  1.0 1.0
   86    81    40    44  -0.30950 -1.0 2.0
   86    81    40    44   0.27300  1.0 3.0
   86    81    82    83   0.23400  1.0 3.0
   86    81    82    84   0.23400  1.0 3.0
   86    81    82    85   0.23400  1.0 3.0
   86    87    89    90   0.00000  1.0 1.0
   86    87    89    91   0.00000  1.0 1.0
   86    87    89    92   0.00000  1.0 1.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   0.00000  1.0 1.0
   88    87    89    92   0.00000  1.0 1.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.40000  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    50    42    43  10.50000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   56    64    61    62   1.10000 -1.0 2.0
   67    63    62    61   1.10000 -1.0 2.0
   70    81    72    73  10.50000 -1.0 2.0
   86    89    87    88  10.50000 -1.0 2.0
   38    49    48    51  15.00000 -1.0 2.0
   52    53    51    48  15.00000 -1.0 2.0
END
