* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    169    259     504
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02111   100.00540   -49.24730
    3     1 S   H    _H1_     3     1.02076    78.00034    57.92322
    4     1 S   H    _H2_     4     1.02171    37.32258  -157.04252
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   OS   _O36    36     1.66601    98.54189   -59.96506
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C13    37     1.42258   113.98991   -80.04590
   38    37 S   HC   _H5_    38     1.09615   107.71631    39.35395
   39    37 S   CT   _C14    39     1.53665   109.60301   -79.98480
   40    39 S   HC   _H21    40     1.09465   112.52554     9.61515
   41    39 S   HC   _H22    41     1.09662   108.61178   129.95613
   42    39 S   CT   _C15    42     1.52899   105.62098  -113.49602
   43    42 S   HC   _H6_    43     1.09441   111.59858  -151.31249
   44    42 S   CT   _C16    44     1.53137   103.42252   -29.74052
   45    44 S   HC   _H7_    45     1.09912   108.62739   -73.60937
   46    42 S   OH   _O35    91     1.42304   108.39818    89.35378
   47    46 S   HO   _H33    92     0.96981   106.70884    60.02365
   48    37 S   CT   _C12    46     1.54084   110.17745   162.96826
   49    48 S   HC   _H4_    47     1.09892   109.53029    21.79723
   50    44 S   CT   _C17    72     1.52503   114.03600   165.34561
   51    50 S   HC   _H23    73     1.09530   109.02082   -61.95826
   52    50 S   HC   _H24    74     1.09484   109.17810  -178.61041
   53    48 S   CM   _C11    48     1.49203   112.35949   -97.46117
   54    53 S   HC   _H20    49     1.08673   116.59872   -59.32784
   55    50 S   CM   _C18    75     1.49809   111.29378    61.14842
   56    55 S   HC   _H25    76     1.08775   116.82586   -90.95444
   57    53 S   CM   _C10    50     1.34073   123.82652   120.57086
   58    57 S   HC   _H19    51     1.08753   119.35102     0.06561
   59    55 S   CM   _C19    77     1.34041   123.72654    88.21303
   60    59 S   HC   _H26    78     1.08746   119.45705  -179.42768
   61    57 S   CT   _C9_    52     1.50335   123.66655  -179.91607
   62    61 S   HC   _H3_    53     1.09644   111.41353    -0.06853
   63    59 S   CT   _C20    79     1.50172   123.78431     0.02798
   64    63 S   HC   _H27    80     1.09666   108.35126  -120.03487
   65    63 S   HC   _H28    81     1.09581   110.53658    -3.41724
   66    61 S   CT   _C8_    54     1.53481   112.86749  -123.54112
   67    66 S   HC   _H17    55     1.09805   109.81207   179.94766
   68    66 S   HC   _H18    56     1.09606   108.12841   -65.41468
   69    61 S   OH   _O37    70     1.42917   108.36755   117.61685
   70    69 S   HO   _H34    71     0.96896   106.29938   -59.99317
   71    63 S   CT   _C21    82     1.53171   111.15405   119.35061
   72    71 S   HC   _H29    83     1.09796   109.26490    59.97502
   73    71 S   HC   _H30    84     1.09713   110.05941   -56.61338
   74    66 S   CT   _C7_    57     1.53221   113.21491    56.70100
   75    74 S   HC   _H15    58     1.09690   109.72336   -53.93946
   76    74 S   HC   _H16    59     1.09677   109.54611    62.92557
   77    71 S   CT   _C22    85     1.52686   112.26186  -179.78511
   78    77 S   HC   _H31    86     1.09717   109.43155    55.11812
   79    77 S   HC   _H32    87     1.09686   108.39674   -61.00301
   80    74 S   CT   _C6_    60     1.53149   113.35513  -176.76287
   81    80 S   HC   _H13    61     1.09755   108.07502   -56.13597
   82    80 S   HC   _H14    62     1.09739   109.65425    59.72347
   83    77 S   CO3  _C23    88     1.53193   116.59428   179.26591
   84    83 S   O2Z  _O34    89     1.26183   116.41967   175.56253
   85    83 S   O2Z  _O33    90     1.26502   114.22625    -5.17210
   86    80 S   CT   _C5_    63     1.52920   113.48047  -177.09768
   87    86 S   HC   _H11    64     1.09495   110.44203   -58.91444
   88    86 S   HC   _H12    65     1.09594   109.90990    59.44884
   89    86 S   CT   _C4_    66     1.52220   111.36478  -179.56795
   90    89 S   HC   _H8_    67     1.09494   110.22085   -58.20150
   91    89 S   HC   _H9_    68     1.09435   110.97257    61.43124
   92    89 S   HC   _H10    69     1.09403   110.97551  -177.95187
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  15   8  12   6   5  12   6  14   8   3   1  10
   4   8   4   3   7   3   7   3   9   4   8   4  10   6   9   5
   4  11   6   5   2   1   8   5   4   9   5   4   5   4   3   9
   5   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44    48    49    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    48    49    53    54    57    50    46  
   39    40    41    42    44    48    49    53  
   40    41    42    43    44    45    48    49    53    50    46    47  
   41    42    43    44    48    46  
   42    43    44    48    46  
   43    44    45    48    49    53    50    51    52    55    46    47  
   44    45    48    50    46    47  
   45    48    49    53    54    57    50    51    52    55    56    59    46    47  
   48    49    53    50    51    52    55    46  
   47    48    50  
    0  
   49    53    54    57    58    61    50    51    52    55  
   53    54    57    50  
   51    52    55    56    59    60    63    53  
   52    55    56    59  
   55    56    59  
   54    57    58    61    62    66    69  
   57    58    61  
   56    59    60    63    64    65    71  
   59    60    63  
   58    61    62    66    67    68    74    69    70  
   61    62    66    69  
   60    63    64    65    71    72    73    77  
   63    64    65    71  
   62    66    67    68    74    75    76    80    69    70  
   66    67    68    74    69    70  
   64    65    71    72    73    77    78    79    83  
   65    71    72    73    77  
   71    72    73    77  
   67    68    74    75    76    80    81    82    86    69    70  
   68    74    75    76    80    69  
   74    75    76    80    69  
   70    74  
    0  
   72    73    77    78    79    83    84    85  
   73    77    78    79    83  
   77    78    79    83  
   75    76    80    81    82    86    87    88    89  
   76    80    81    82    86  
   80    81    82    86  
   78    79    83    84    85  
   79    83    84    85  
   83    84    85  
   81    82    86    87    88    89    90    91    92  
   82    86    87    88    89  
   86    87    88    89  
   84    85  
   85  
    0  
   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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    48   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   268.000  1.529
   48    49   340.000  1.090
   48    53   317.000  1.510
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    61   317.000  1.510
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   69    70   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   317.000  1.522
   83    84   656.000  1.250
   83    85   656.000  1.250
   46    47   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    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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    50.00000  109.50000
   33    37    48    50.00000  109.50000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    42    58.35000  112.70000
   37    48    44    58.35000  112.70000
   37    48    49    37.50000  110.70000
   37    48    53    70.00000  112.02700
   39    37    38    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    58.35000  112.70000
   39    42    46    50.00000  109.50000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    44    45    37.50000  110.70000
   42    44    48    58.35000  112.70000
   42    44    50    58.35000  112.70000
   42    46    47    55.00000  108.50000
   44    42    43    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    53    70.00000  112.02700
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    55    70.00000  112.02700
   48    37    38    37.50000  110.70000
   48    37    39    58.35000  112.70000
   48    44    45    37.50000  110.70000
   48    53    54    35.00000  117.00000
   48    53    57    70.00000  124.00000
   53    48    49    35.00000  109.50000
   53    57    58    35.00000  120.00000
   53    57    61    70.00000  124.00000
   57    53    54    35.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    66    70.00000  112.02700
   57    61    69    90.00000  110.39200
   61    57    58    35.00000  117.00000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    74    58.35000  112.70000
   61    69    70    55.00000  108.50000
   66    61    62    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    80    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    86    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    58.35000  112.70000
   82    80    81    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   69    61    62    35.00000  109.50000
   69    61    66    50.00000  109.50000
   50    44    45    37.50000  110.70000
   50    44    48    58.35000  112.70000
   50    55    56    35.00000  117.00000
   50    55    59    70.00000  124.00000
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    59    60    35.00000  120.00000
   55    59    63    70.00000  124.00000
   59    55    56    35.00000  120.00000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    71    70.00000  112.02700
   63    59    60    35.00000  117.00000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    77    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    83    70.00000  109.69300
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    83    84    70.00000  117.00000
   77    83    85    70.00000  117.00000
   79    77    78    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    79    35.00000  109.50000
   85    83    84    80.00000  126.00000
   46    42    43    35.00000  109.50000
   46    42    44    50.00000  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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    48   0.37500  1.0 3.0
   33    37    39    40   0.23400  1.0 3.0
   33    37    39    41   0.23400  1.0 3.0
   33    37    39    42   0.62750  1.0 1.0
   33    37    39    42  -0.30950 -1.0 2.0
   33    37    39    42   0.27300  1.0 3.0
   33    37    48    44   0.62750  1.0 1.0
   33    37    48    44  -0.30950 -1.0 2.0
   33    37    48    44   0.27300  1.0 3.0
   33    37    48    49   0.23400  1.0 3.0
   33    37    48    53   0.61850  1.0 1.0
   33    37    48    53  -0.22750 -1.0 2.0
   33    37    48    53   0.15300  1.0 3.0
   37    39    42    43   0.15000  1.0 3.0
   37    39   -42    44   0.56750  1.0 1.0
   37    39   -42    44  -0.07550 -1.0 2.0
   37    39   -42    44   0.20000  1.0 3.0
   37    39    42    46   0.86500  1.0 1.0
   37    39    42    46  -0.17500 -1.0 2.0
   37    39    42    46   0.20800  1.0 3.0
   37    48    53    54   0.00000  1.0 1.0
   37    48    53    57   0.09850  1.0 1.0
   37    48    53    57   0.15250 -1.0 2.0
   37    48    53    57  -0.50650  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    42   0.15000  1.0 3.0
   38    37    48    44   0.15000  1.0 3.0
   38    37    48    49   0.15000  1.0 3.0
   38    37    48    53   0.15000  1.0 3.0
   39    37   -48    44   0.56750  1.0 1.0
   39    37   -48    44  -0.07550 -1.0 2.0
   39    37   -48    44   0.20000  1.0 3.0
   39    37    48    49   0.15000  1.0 3.0
   39    37    48    53   0.34400  1.0 1.0
   39    37    48    53   0.09450 -1.0 2.0
   39    37    48    53   0.11100  1.0 3.0
   39    42    44    45   0.15000  1.0 3.0
   39    42   -44    48   0.56750  1.0 1.0
   39    42   -44    48  -0.07550 -1.0 2.0
   39    42   -44    48   0.20000  1.0 3.0
   39    42    44    50   0.56750  1.0 1.0
   39    42    44    50  -0.07550 -1.0 2.0
   39    42    44    50   0.20000  1.0 3.0
   39    42    46    47  -0.11600  1.0 1.0
   39    42    46    47  -0.09450 -1.0 2.0
   39    42    46    47   0.21250  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    46   0.23400  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    46   0.23400  1.0 3.0
   42    44   -48    37   0.56750  1.0 1.0
   42    44   -48    37  -0.07550 -1.0 2.0
   42    44   -48    37   0.20000  1.0 3.0
   42    44    48    49   0.15000  1.0 3.0
   42    44    48    53   0.34400  1.0 1.0
   42    44    48    53   0.09450 -1.0 2.0
   42    44    48    53   0.11100  1.0 3.0
   42    44    50    51   0.15000  1.0 3.0
   42    44    50    52   0.15000  1.0 3.0
   42    44    50    55   0.34400  1.0 1.0
   42    44    50    55   0.09450 -1.0 2.0
   42    44    50    55   0.11100  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    48   0.15000  1.0 3.0
   43    42    44    50   0.15000  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47  -0.11600  1.0 1.0
   44    42    46    47  -0.09450 -1.0 2.0
   44    42    46    47   0.21250  1.0 3.0
   44    48    53    54   0.00000  1.0 1.0
   44    48    53    57   0.09850  1.0 1.0
   44    48    53    57   0.15250 -1.0 2.0
   44    48    53    57  -0.50650  1.0 3.0
   44    50    55    56   0.00000  1.0 1.0
   44    50    55    59   0.09850  1.0 1.0
   44    50    55    59   0.15250 -1.0 2.0
   44    50    55    59  -0.50650  1.0 3.0
   45    44    48    37   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    55   0.15000  1.0 3.0
   48    37    39    40   0.15000  1.0 3.0
   48    37    39    41   0.15000  1.0 3.0
   48    37   -39    42   0.56750  1.0 1.0
   48    37   -39    42  -0.07550 -1.0 2.0
   48    37   -39    42   0.20000  1.0 3.0
   48    44    50    51   0.15000  1.0 3.0
   48    44    50    52   0.15000  1.0 3.0
   48    44    50    55   0.34400  1.0 1.0
   48    44    50    55   0.09450 -1.0 2.0
   48    44    50    55   0.11100  1.0 3.0
   48    53    57    58   7.00000 -1.0 2.0
   48    53    57    61   7.00000 -1.0 2.0
   49    48    53    54   0.33100  1.0 3.0
   49    48    53    57   0.00000  1.0 1.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    66   0.09850  1.0 1.0
   53    57    61    66   0.15250 -1.0 2.0
   53    57    61    66  -0.50650  1.0 3.0
   53    57    61    69   0.67800  1.0 1.0
   53    57    61    69   0.47050 -1.0 2.0
   53    57    61    69  -0.62500  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    61   7.00000 -1.0 2.0
   57    61    66    67   0.15000  1.0 3.0
   57    61    66    68   0.15000  1.0 3.0
   57    61    66    74   0.34400  1.0 1.0
   57    61    66    74   0.09450 -1.0 2.0
   57    61    66    74   0.11100  1.0 3.0
   57    61    69    70  -0.07800  1.0 1.0
   57    61    69    70  -0.21500 -1.0 2.0
   57    61    69    70  -0.03150  1.0 3.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    66   0.00000  1.0 1.0
   58    57    61    69   0.00000  1.0 1.0
   61    66    74    75   0.15000  1.0 3.0
   61    66    74    76   0.15000  1.0 3.0
   61    66    74    80   0.56750  1.0 1.0
   61    66    74    80  -0.07550 -1.0 2.0
   61    66    74    80   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    74   0.15000  1.0 3.0
   62    61    69    70   0.19450  1.0 3.0
   66    61    69    70  -0.11600  1.0 1.0
   66    61    69    70  -0.09450 -1.0 2.0
   66    61    69    70   0.21250  1.0 3.0
   66    74    80    81   0.15000  1.0 3.0
   66    74    80    82   0.15000  1.0 3.0
   66    74    80    86   0.56750  1.0 1.0
   66    74    80    86  -0.07550 -1.0 2.0
   66    74    80    86   0.20000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    80   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    80   0.15000  1.0 3.0
   74    80    86    87   0.15000  1.0 3.0
   74    80    86    88   0.15000  1.0 3.0
   74    80    86    89   0.56750  1.0 1.0
   74    80    86    89  -0.07550 -1.0 2.0
   74    80    86    89   0.20000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    86   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    86   0.15000  1.0 3.0
   80    86    89    90   0.15000  1.0 3.0
   80    86    89    91   0.15000  1.0 3.0
   80    86    89    92   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.15000  1.0 3.0
   87    86    89    90   0.15000  1.0 3.0
   87    86    89    91   0.15000  1.0 3.0
   87    86    89    92   0.15000  1.0 3.0
   88    86    89    90   0.15000  1.0 3.0
   88    86    89    91   0.15000  1.0 3.0
   88    86    89    92   0.15000  1.0 3.0
   69    61    66    67   0.23400  1.0 3.0
   69    61    66    68   0.23400  1.0 3.0
   69    61    66    74   0.86500  1.0 1.0
   69    61    66    74  -0.17500 -1.0 2.0
   69    61    66    74   0.20800  1.0 3.0
   50    44    48    37   0.56750  1.0 1.0
   50    44    48    37  -0.07550 -1.0 2.0
   50    44    48    37   0.20000  1.0 3.0
   50    44    48    49   0.15000  1.0 3.0
   50    44    48    53   0.34400  1.0 1.0
   50    44    48    53   0.09450 -1.0 2.0
   50    44    48    53   0.11100  1.0 3.0
   50    55    59    60   7.00000 -1.0 2.0
   50    55    59    63   7.00000 -1.0 2.0
   51    50    55    56   0.33100  1.0 3.0
   51    50    55    59   0.00000  1.0 1.0
   52    50    55    56   0.33100  1.0 3.0
   52    50    55    59   0.00000  1.0 1.0
   55    59    63    64   0.00000  1.0 1.0
   55    59    63    65   0.00000  1.0 1.0
   55    59    63    71   0.09850  1.0 1.0
   55    59    63    71   0.15250 -1.0 2.0
   55    59    63    71  -0.50650  1.0 3.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    63   7.00000 -1.0 2.0
   59    63    71    72   0.15000  1.0 3.0
   59    63    71    73   0.15000  1.0 3.0
   59    63    71    77   0.34400  1.0 1.0
   59    63    71    77   0.09450 -1.0 2.0
   59    63    71    77   0.11100  1.0 3.0
   60    59    63    64   0.33100  1.0 3.0
   60    59    63    65   0.33100  1.0 3.0
   60    59    63    71   0.00000  1.0 1.0
   63    71    77    78   0.15000  1.0 3.0
   63    71    77    79   0.15000  1.0 3.0
   63    71    77    83  -1.63150  1.0 1.0
   63    71    77    83  -0.43550 -1.0 2.0
   63    71    77    83   0.24500  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    77   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    77   0.15000  1.0 3.0
   71    77    83    84   0.41150 -1.0 2.0
   71    77    83    85   0.41150 -1.0 2.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    83  -0.11250  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    83  -0.11250  1.0 3.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   79    77    83    84   0.00000  1.0 1.0
   79    77    83    85   0.00000  1.0 1.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    48   0.86500  1.0 1.0
   46    42    44    48  -0.17500 -1.0 2.0
   46    42    44    48   0.20800  1.0 3.0
   46    42    44    50   0.86500  1.0 1.0
   46    42    44    50  -0.17500 -1.0 2.0
   46    42    44    50   0.20800  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
   48    54    53    57  15.00000 -1.0 2.0
   61    58    57    53  15.00000 -1.0 2.0
   50    56    55    59  15.00000 -1.0 2.0
   63    60    59    55  15.00000 -1.0 2.0
   84    77    83    85  10.50000 -1.0 2.0
END
