* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    165    238     479
    1     0 S   NP   _N1_     1    29.90525    93.73358   -16.57644
    2     1 S   H    _HN1     2     1.02916   136.85596    53.98053
    3     1 S   H    _H1_     3     1.02833    40.15621   106.88095
    4     1 S   H    _H2_     4     1.02768    72.37615   -44.44092
    5     1 S   CT   _CA1     5     1.50184   108.58848  -152.76363
    6     5 S   HC   _HA1     6     1.09549   105.21007    16.48686
    7     5 S   CO3  _C1_     7     1.53851   112.33733  -103.86299
    8     7 S   O2Z  _O11     8     1.26405   114.95126   -37.48982
    9     7 S   O2Z  _O12     9     1.26216   115.01261   141.36570
   10     5 S   CT   _CB1    10     1.53014   107.42961   134.80130
   11    10 S   HC   HB11    11     1.09845   109.76195   -45.52077
   12    10 S   HC   HB12    12     1.09776   110.17977    70.77309
   13    10 S   CT   _CG1    13     1.53113   112.81833  -166.40478
   14    13 S   HC   HG11    14     1.09538   111.29365   -61.98145
   15    13 S   HC   HG12    15     1.09584   110.77024    57.39772
   16    13 S   C    _CD1    16     1.51464   109.81765   176.93146
   17    16 S   O    _OE1    17     1.22814   121.94465   -94.30206
   18    16 S   N    _N2_    18     1.38135   112.61357    83.22828
   19    18 S   H    _HN2    19     1.01744   119.07292     5.79616
   20    18 S   CT1  _CA2    20     1.45756   123.46335  -174.48267
   21    20 S   HC   _HA2    21     1.09727   108.62731    25.90101
   22    20 S   C    _C2_    22     1.52801   107.84625   -91.78849
   23    22 S   O    _O2_    23     1.22930   123.01476   -25.30695
   24    20 S   CT   _CB2    32     1.53469   111.62906   148.33282
   25    24 S   HC   HB21    33     1.09429   109.71105    63.36272
   26    24 S   HC   HB22    34     1.09529   110.51959  -178.92535
   27    22 S   N    _N3_    24     1.38649   112.29998   157.82901
   28    27 S   H    _HN3    25     1.01485   119.74173     0.13270
   29    24 S   S    _SG2    35     1.83219   110.72855   -59.63245
   30    27 S   CT   _CA3    26     1.45425   122.68707   174.23384
   31    30 S   HC   HA31    27     1.09545   108.82476    33.01386
   32    30 S   HC   HA32    28     1.09474   107.18535   150.18686
   33    29 S   CT   _C14    36     1.86787   102.02105   136.64853
   34    30 S   CO3  _C3_    29     1.53123   113.80700   -89.74016
   35    34 S   O2Z  _O31    30     1.26366   116.01268   -25.23645
   36    34 S   O2Z  _O32    31     1.26438   114.54724   155.55770
   37    33 S   CO4  _C19    37     1.53866   109.30217   -56.90235
   38    37 S   O    _O34    38     1.23167   123.10247   -23.42711
   39    33 S   CT   _C13    59     1.56016   107.77143  -174.53291
   40    39 S   HC   _H23    60     1.09769   109.77596   -58.55700
   41    39 S   HC   _H24    61     1.09785   109.29153  -174.22830
   42    37 S   CM   _C18    39     1.49519   118.18235   159.66185
   43    39 S   CT   _C12    62     1.54022   116.01209    64.30296
   44    43 S   HC   _H21    63     1.09526   110.14131    59.33698
   45    43 S   HC   _H22    64     1.09495   110.69370   -59.15690
   46    42 S   CM   _C17    40     1.34038   121.50235   -14.70440
   47    42 S   OS   _O35    54     1.38608   117.88354   169.16482
   48    43 S   CT   _C11    65     1.53143   111.21173   179.77272
   49    48 S   HC   _H19    66     1.09667   109.65301    58.54243
   50    48 S   HC   _H20    67     1.09671   109.59515   -58.93488
   51    46 S   CO4  _C16    41     1.49046   120.88735     2.88127
   52    51 S   O    _O33    42     1.23007   119.68414   164.17798
   53    46 S   OS   _O36    49     1.38504   120.78382   178.21655
   54    47 S   CT   _C20    55     1.42662   110.90084   -76.80938
   55    54 S   HC   _H25    56     1.09391   107.89336  -175.86369
   56    54 S   HC   _H26    57     1.09371   111.44992    65.69186
   57    54 S   HC   _H27    58     1.09559   110.97787   -57.54523
   58    48 S   CT   _C10    68     1.52960   111.04375   179.80218
   59    58 S   HC   _H17    69     1.09684   109.56733    58.01938
   60    58 S   HC   _H18    70     1.09676   109.47067   -59.25071
   61    33 S   CT   _C15    43     1.55261   109.77165    63.23264
   62    61 S   HC   _H3_    44     1.09896   109.86223   -57.48263
   63    53 S   CT   _C21    50     1.42625   110.86489   108.86617
   64    63 S   HC   _H28    51     1.09398   107.88288  -175.58279
   65    63 S   HC   _H29    52     1.09456   111.44377    65.99594
   66    63 S   HC   _H30    53     1.09565   110.98424   -57.31045
   67    58 S   CT   _C9_    71     1.52890   111.49150   179.44082
   68    67 S   HC   _H15    72     1.09677   109.58881   -58.72187
   69    67 S   HC   _H16    73     1.09677   109.59014    58.62015
   70    61 S   CT   _C22    45     1.53505   115.09098    63.25266
   71    70 S   HC   _H31    46     1.09489   111.85549    66.03236
   72    70 S   HC   _H32    47     1.09318   112.28182   -56.23596
   73    70 S   HC   _H33    48     1.09649   110.28681  -175.29114
   74    67 S   CT   _C8_    74     1.52967   111.20516   179.95154
   75    74 S   HC   _H13    75     1.09685   109.56486   -58.62720
   76    74 S   HC   _H14    76     1.09685   109.56337    58.62798
   77    74 S   CT   _C7_    77     1.52947   111.34303   180.00000
   78    77 S   HC   _H11    78     1.09681   109.56788    58.64637
   79    77 S   HC   _H12    79     1.09681   109.56788   -58.64448
   80    77 S   CT   _C6_    80     1.52956   111.32211  -180.00000
   81    80 S   HC   _H9_    81     1.09685   109.57565   -58.63375
   82    80 S   HC   _H10    82     1.09685   109.57559    58.63407
   83    80 S   CT   _C5_    83     1.52846   111.32978  -179.98022
   84    83 S   HC   _H7_    84     1.09622   109.86611    58.86473
   85    83 S   HC   _H8_    85     1.09622   109.86616   -58.86427
   86    83 S   CT   _C4_    86     1.52036   111.49380  -180.00000
   87    86 S   HC   _H4_    87     1.09469   111.00124    60.26030
   88    86 S   HC   _H5_    88     1.09449   110.26132  -180.00000
   89    86 S   HC   _H6_    89     1.09469   111.00122   -60.25948
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  20   2   1   1  14   5  14   6   5  11  10   5   4  12   6   9
   5   4   9   4   5   3   2   1   1   9   5   4   5   4   3   2
   1   1   9   5   4   3   2   1   1   9   5   4   9   5   4   9
   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    51    61    62    70    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    51    52    61    62    70    71    72    73    47    39    40    41    43    44    45    48  
   35    36  
   36  
    0  
   38    42    46    51    61    62    70    53    47    54    39    40    41    43  
   42    46    61    47    39  
   40    41    43    44    45    48    49    50    58    42    51    61    62    70  
   41    43    44    45    48    61  
   43    44    45    48    61  
   46    51    52    61    53    63    47    54    55    56    57  
   44    45    48    49    50    58    59    60    67    61  
   45    48    49    50    58  
   48    49    50    58  
   51    52    61    62    70    53    63    64    65    66    47    54  
   54    55    56    57    51    53  
   49    50    58    59    60    67    68    69    74  
   50    58    59    60    67  
   58    59    60    67  
   52    61    62    70    71    72    73    53    63  
   61    62    70    53  
   63    64    65    66    61  
   55    56    57  
   56    57  
   57  
    0  
   59    60    67    68    69    74    75    76    77  
   60    67    68    69    74  
   67    68    69    74  
   62    70    71    72    73  
   70    71    72    73  
   64    65    66  
   65    66  
   66  
    0  
   68    69    74    75    76    77    78    79    80  
   69    74    75    76    77  
   74    75    76    77  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    61   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    46   549.000  1.340
   42    47   440.000  1.360
   46    51   320.000  1.462
   46    53   440.000  1.360
   51    52   570.000  1.229
   51    61   317.000  1.522
   61    62   340.000  1.090
   61    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   47    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    61    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    61    51    63.00000  111.10000
   33    61    62    37.50000  110.70000
   33    61    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    58.35000  112.70000
   37    42    46    65.00000  118.96000
   37    42    47    85.00000  116.28000
   42    37    38    80.00000  123.72100
   42    46    51    65.00000  118.96000
   42    46    53    80.00000  120.01400
   42    47    54    90.00000  111.18400
   46    51    52    80.00000  123.72100
   46    51    61    65.00000  118.62400
   46    53    63    90.00000  111.18400
   51    61    62    35.00000  109.50000
   51    61    70    63.00000  111.10000
   61    33    37    63.00000  111.10000
   61    51    52    80.00000  120.40000
   61    70    71    37.50000  110.70000
   61    70    72    37.50000  110.70000
   61    70    73    37.50000  110.70000
   70    61    62    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   53    46    51    85.00000  116.28000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   47    42    46    80.00000  120.01400
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    61    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   41    39    40    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    60    37.50000  110.70000
   48    58    67    58.35000  112.70000
   50    48    49    33.00000  107.80000
   58    48    49    37.50000  110.70000
   58    48    50    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    74    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    61    51   0.56750  1.0 1.0
   29    33    61    51  -0.07550 -1.0 2.0
   29    33    61    51   0.20000  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   29    33    61    70   0.44750  1.0 1.0
   29    33    61    70  -0.17800 -1.0 2.0
   29    33    61    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    37    42    46  -0.33500  1.0 1.0
   33    37    42    46   1.06600 -1.0 2.0
   33    37    42    46  -0.14000  1.0 3.0
   33    37    42    47   0.32450 -1.0 2.0
   33    37    42    47   0.17400  1.0 3.0
   33    61    70    71   0.15000  1.0 3.0
   33    61    70    72   0.15000  1.0 3.0
   33    61    70    73   0.15000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    48   0.56750  1.0 1.0
   33    39    43    48  -0.07550 -1.0 2.0
   33    39    43    48   0.20000  1.0 3.0
   37    33    61    51   0.11950  1.0 1.0
   37    33    61    51   0.20300 -1.0 2.0
   37    33    61    51  -0.70800  1.0 3.0
   37    33    61    62  -0.11250  1.0 3.0
   37    33    61    70  -0.95700  1.0 1.0
   37    33    61    70  -0.18200 -1.0 2.0
   37    33    61    70   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    42   -46    51   7.00000 -1.0 2.0
   37    42    46    53   7.00000 -1.0 2.0
   37    42    47    54   0.15100 -1.0 2.0
   38    37    42    46   1.00000 -1.0 2.0
   38    37    42    47  -0.11900  1.0 1.0
   38    37    42    47   0.76850 -1.0 2.0
   38    37    42    47   0.14100  1.0 3.0
   42    46    51    52   1.00000 -1.0 2.0
   42    46    51    61  -0.33500  1.0 1.0
   42    46    51    61   1.06600 -1.0 2.0
   42    46    51    61  -0.14000  1.0 3.0
   42    46    53    63  -2.26850  1.0 1.0
   42    46    53    63   3.39050 -1.0 2.0
   42    47    54    55   0.08050  1.0 3.0
   42    47    54    56   0.08050  1.0 3.0
   42    47    54    57   0.08050  1.0 3.0
   46    42    47    54  -2.26850  1.0 1.0
   46    42    47    54   3.39050 -1.0 2.0
   46    51   -61    33   0.65300  1.0 1.0
   46    51   -61    33  -0.03850 -1.0 2.0
   46    51   -61    33   0.33900  1.0 3.0
   46    51    61    62   0.00000  1.0 1.0
   46    51    61    70   0.65300  1.0 1.0
   46    51    61    70  -0.03850 -1.0 2.0
   46    51    61    70   0.33900  1.0 3.0
   46    53    63    64   0.08050  1.0 3.0
   46    53    63    65   0.08050  1.0 3.0
   46    53    63    66   0.08050  1.0 3.0
   51    46    53    63   0.15100 -1.0 2.0
   51    61    70    71  -0.11250  1.0 3.0
   51    61    70    72  -0.11250  1.0 3.0
   51    61    70    73  -0.11250  1.0 3.0
   52    51    61    33   0.30150 -1.0 2.0
   52    51    61    62   0.00000  1.0 1.0
   52    51    61    70   0.30150 -1.0 2.0
   61    33    37    38   0.30150 -1.0 2.0
   61    33   -37    42   0.65300  1.0 1.0
   61    33   -37    42  -0.03850 -1.0 2.0
   61    33   -37    42   0.33900  1.0 3.0
   61    33    39    40   0.15000  1.0 3.0
   61    33    39    41   0.15000  1.0 3.0
   61    33    39    43   0.56750  1.0 1.0
   61    33    39    43  -0.07550 -1.0 2.0
   61    33    39    43   0.20000  1.0 3.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    72   0.15000  1.0 3.0
   62    61    70    73   0.15000  1.0 3.0
   53    46    51    52  -0.11900  1.0 1.0
   53    46    51    52   0.76850 -1.0 2.0
   53    46    51    52   0.14100  1.0 3.0
   53    46    51    61   0.32450 -1.0 2.0
   53    46    51    61   0.17400  1.0 3.0
   47    42    46    51   7.00000 -1.0 2.0
   47    42    46    53   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    61    51  -0.95700  1.0 1.0
   39    33    61    51  -0.18200 -1.0 2.0
   39    33    61    51   0.29450  1.0 3.0
   39    33    61    62   0.15000  1.0 3.0
   39    33    61    70   0.56750  1.0 1.0
   39    33    61    70  -0.07550 -1.0 2.0
   39    33    61    70   0.20000  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    50   0.15000  1.0 3.0
   39    43    48    58   0.56750  1.0 1.0
   39    43    48    58  -0.07550 -1.0 2.0
   39    43    48    58   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    48   0.15000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    60   0.15000  1.0 3.0
   43    48    58    67   0.56750  1.0 1.0
   43    48    58    67  -0.07550 -1.0 2.0
   43    48    58    67   0.20000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    58   0.15000  1.0 3.0
   48    58    67    68   0.15000  1.0 3.0
   48    58    67    69   0.15000  1.0 3.0
   48    58    67    74   0.56750  1.0 1.0
   48    58    67    74  -0.07550 -1.0 2.0
   48    58    67    74   0.20000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    60   0.15000  1.0 3.0
   49    48    58    67   0.15000  1.0 3.0
   50    48    58    59   0.15000  1.0 3.0
   50    48    58    60   0.15000  1.0 3.0
   50    48    58    67   0.15000  1.0 3.0
   58    67    74    75   0.15000  1.0 3.0
   58    67    74    76   0.15000  1.0 3.0
   58    67    74    77   0.56750  1.0 1.0
   58    67    74    77  -0.07550 -1.0 2.0
   58    67    74    77   0.20000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    74   0.15000  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    74   0.15000  1.0 3.0
   67    74    77    78   0.15000  1.0 3.0
   67    74    77    79   0.15000  1.0 3.0
   67    74    77    80   0.56750  1.0 1.0
   67    74    77    80  -0.07550 -1.0 2.0
   67    74    77    80   0.20000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    82   0.15000  1.0 3.0
   74    77    80    83   0.56750  1.0 1.0
   74    77    80    83  -0.07550 -1.0 2.0
   74    77    80    83   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86   0.56750  1.0 1.0
   77    80    83    86  -0.07550 -1.0 2.0
   77    80    83    86   0.20000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    47    42    46   1.10000 -1.0 2.0
   51    53    46    42   1.10000 -1.0 2.0
   46    61    51    52  10.50000 -1.0 2.0
END
