* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    176    280     519
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02051    33.33902   178.23764
    3     1 S   H    _H1_     3     1.02138    93.71202   -62.76570
    4     1 S   H    _H2_     4     1.02106    86.58103    45.76998
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   CT   _C23    36     1.84873    97.31714   161.84715
   34    33 S   HC   _H4_    37     1.11202   103.17087   -59.91711
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   C5A  _C22    38     1.46998   113.43983    59.98863
   39    33 S   CM   _C24    88     1.52885   106.36414  -173.10693
   40    39 S   HC   _H22    89     1.09065   115.94303   -68.09904
   41    38 S   C5BC _C21    39     1.37903   132.97843  -115.45261
   42    41 S   HA   _H21    40     1.08130   126.13738    -0.58383
   43    39 S   CMA  _C25    90     1.33737   126.47161   110.04877
   44    43 S   OM   _O34    91     1.39384   118.48119  -178.10122
   45    43 S   OM   _O35    92     1.39366   120.48128     1.54788
   46    41 S   C5BC _C20    41     1.41813   106.18174   179.47214
   47    46 S   C5A  _C19    42     1.37896   105.24945     1.43204
   48    47 S   CT   _C18    43     1.47822   127.94689   178.71002
   49    48 S   HC   _H19    44     1.09564   109.20292   103.12726
   50    48 S   HC   _H20    45     1.09409   111.11708  -137.96189
   51    38 S   OA   _O33    87     1.36187   116.08583    64.95577
   52    48 S   CT   _C17    46     1.54234   108.91518   -16.63155
   53    52 S   HC   _H17    47     1.09548   109.41329   166.51352
   54    52 S   HC   _H18    48     1.09774   109.49072   -76.52168
   55    52 S   CT   _C16    49     1.54448   112.11507    44.29638
   56    55 S   HC   _H15    50     1.09936   108.29016    62.03950
   57    55 S   HC   _H16    51     1.09630   109.86978   177.84115
   58    46 S   CT   _C15    52     1.49792   133.20368   177.89848
   59    58 S   HC   _H3_    53     1.12072   108.11192   -71.14798
   60    58 S   CA   _C13    54     1.51338   107.27829    45.12371
   61    60 S   CA   _C12    55     1.38467   120.21112    63.68572
   62    61 S   HA   _H13    56     1.08674   120.74504     1.01220
   63    61 S   CA   _C11    57     1.39354   119.74221  -179.06833
   64    63 S   HA   _H12    58     1.08674   117.59847   179.73607
   65    63 S   CA   _C10    59     1.41359   121.74322     0.11191
   66    65 S   CA   _C9_    60     1.41646   118.51763    -1.90937
   67    60 S   CA   _C14    61     1.39436   120.13043  -116.18874
   68    67 S   HA   _H14    62     1.08708   117.98488    -0.37639
   69    66 S   CT   _C8_    63     1.53372   122.41443  -179.00810
   70    69 S   CT   _C7_    64     1.54531   111.63797    15.41680
   71    70 S   HC   _H10    65     1.09741   110.31155  -167.29628
   72    70 S   HC   _H11    66     1.09829   110.11315    76.37939
   73    69 S   CT   _C26    79     1.54762   111.93220   134.57200
   74    73 S   HC   _H23    80     1.08312   108.92827  -180.00000
   75    73 S   HC   _H24    81     1.08214   108.92446    59.98641
   76    73 S   HC   _H25    82     1.08356   108.90093   -60.02313
   77    69 S   CT   _C27    83     1.54485   108.68955  -105.86753
   78    77 S   HC   _H26    84     1.08180   108.85755  -179.95577
   79    77 S   HC   _H27    85     1.08114   108.81946    59.91616
   80    77 S   HC   _H28    86     1.08276   108.75600   -60.05133
   81    70 S   CT   _C6_    67     1.51896   112.00736   -45.33599
   82    81 S   HC   _H8_    68     1.09816   109.26420  -175.03130
   83    81 S   HC   _H9_    69     1.09742   109.13980   -59.92596
   84    65 S   CT   _C5_    70     1.53435   119.08611   179.80617
   85    84 S   CT   _C4_    71     1.54611   108.66693    72.25582
   86    85 S   HC   _H5_    72     1.08210   108.81894   180.00000
   87    85 S   HC   _H6_    73     1.08250   108.78097    59.99529
   88    85 S   HC   _H7_    74     1.08124   108.78386   -59.95338
   89    84 S   CT   _C28    75     1.54724   111.90367   -47.25241
   90    89 S   HC   _H29    76     1.08315   108.93310   179.96574
   91    89 S   HC   _H30    77     1.08311   108.92396    59.99577
   92    89 S   HC   _H31    78     1.08188   108.94836   -60.01327
  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   8   5   4   3
  12   6   2   1   1  10   6   3   9   4   2   1   1  14  11  10
   6   5   2   8   5   4   7   4   3   8   3   9   8   4   9   3
  19  18   6   1  15  16   7   6   8   3   2   1   4   2   1   1
  11   4   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    47    51    39    40    43    44    45  
   38    41    51    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    58    51    39    40    43  
   40    43    44    45    41    51  
   43    44    45  
   42    46    47    48    55    58    59    60    51  
   46    47    58    51  
   44    45  
   45  
    0  
   47    48    49    50    52    55    56    57    58    59    60    61    67    51  
   48    49    50    52    53    54    55    58    59    60    51  
   49    50    52    53    54    55    56    57    58    51  
   50    52    53    54    55    51  
   52    53    54    55    51  
   52    58  
   53    54    55    56    57    58    59    60  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    60    61    67  
   57    58    59    60  
   58    59    60  
   59    60    61    62    63    66    67    68  
   60    61    67  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66    67    68    84  
   63    64    65    67  
   64    65    66    67    69    81    84    85    89  
   65    66    84  
   66    67    68    69    70    81    82    83    84    85    86    87    88    89    90    91    92    73    77  
   67    68    69    70    71    72    81    84    85    89    73    74    75    76    77    78    79    80  
   68    69    70    84    73    77  
   69  
   70    71    72    81    82    83    84    73    74    75    76    77    78    79    80  
   71    72    81    82    83    84    85    89    73    74    75    76    77    78    79    80  
   72    81    82    83    84    73    77  
   81    82    83    84    73    77  
   74    75    76    77    78    79    80    81  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90    91    92  
   83    84    85    89  
   84    85    89  
   85    86    87    88    89    90    91    92  
   86    87    88    89    90    91    92  
   87    88    89  
   88    89  
   89  
   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   0.222500   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   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    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   295.000  1.489
   33    39   317.000  1.510
   38    41   546.000  1.367
   38    51   340.000  1.360
   41    42   367.000  1.080
   41    46   469.000  1.424
   46    47   546.000  1.367
   46    58   285.000  1.502
   47    48   295.000  1.489
   47    51   340.000  1.360
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   60    61   469.000  1.400
   60    67   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    84   317.000  1.510
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   69    70   268.000  1.529
   69    73   268.000  1.529
   69    77   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   268.000  1.529
   84    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    50.00000  133.50000
   33    38    51    80.00000  116.10000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    45.00000  110.47400
   38    41    42    35.00000  125.70000
   38    41    46    70.00000  107.30000
   38    51    47    70.00000  106.50000
   41    46    47    70.00000  107.30000
   41    46    58    60.00000  130.00000
   46    41    42    35.00000  127.50000
   46    47    48    50.00000  133.50000
   46    47    51    70.00000  110.60000
   46    58    55    70.00000  112.17500
   46    58    59    35.00000  109.50000
   46    58    60    70.00000  112.04700
   47    48    49    45.00000  110.47400
   47    48    50    45.00000  110.47400
   47    48    52    70.00000  113.44400
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    70.00000  112.17500
   57    55    56    33.00000  107.80000
   58    46    47    60.00000  130.00000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    61    70.00000  120.00000
   58    60    67    70.00000  120.00000
   60    58    59    35.00000  109.50000
   60    61    62    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    67    66    63.00000  120.00000
   60    67    68    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    84    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    63.00000  120.00000
   65    66    69    70.00000  120.00000
   65    84    81    70.00000  112.17500
   65    84    85    70.00000  112.17500
   65    84    89    70.00000  112.17500
   66    67    68    35.00000  120.00000
   66    69    70    70.00000  112.17500
   66    69    73    70.00000  112.17500
   66    69    77    70.00000  112.17500
   67    60    61    63.00000  120.00000
   69    66    67    70.00000  120.00000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    81    58.35000  112.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   70    81    82    37.50000  110.70000
   70    81    83    37.50000  110.70000
   70    81    84    58.35000  112.70000
   72    70    71    33.00000  107.80000
   81    70    71    37.50000  110.70000
   81    70    72    37.50000  110.70000
   81    84    85    58.35000  112.70000
   81    84    89    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    65    66    70.00000  120.00000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    85    86    37.50000  110.70000
   84    85    87    37.50000  110.70000
   84    85    88    37.50000  110.70000
   84    89    90    37.50000  110.70000
   84    89    91    37.50000  110.70000
   84    89    92    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    84    85    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    69    70    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    70    58.35000  112.70000
   77    69    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   51    38    41    70.00000  110.60000
   51    47    48    80.00000  116.10000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.40000
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51   0.04300 -1.0 2.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    51    47   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41   -46    47   3.62500 -1.0 2.0
   38    41    46    58   3.62500 -1.0 2.0
   41    38   -51    47   3.62500 -1.0 2.0
   41    46    47    48   3.62500 -1.0 2.0
   41    46   -47    51   3.62500 -1.0 2.0
   41    46    58    55   0.04150 -1.0 2.0
   41    46    58    59   0.00000  1.0 1.0
   41    46    58    60   0.04300 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    58   3.62500 -1.0 2.0
   46    47    48    49   0.00000  1.0 1.0
   46    47    48    50   0.00000  1.0 1.0
   46    47    48    52   0.04150 -1.0 2.0
   46    47   -51    38   3.62500 -1.0 2.0
   46    58    60    61   0.04300 -1.0 2.0
   46    58    60    67   0.04300 -1.0 2.0
   47    46    58    55   0.04150 -1.0 2.0
   47    46    58    59   0.00000  1.0 1.0
   47    46    58    60   0.04300 -1.0 2.0
   47    48    52    53   0.43200  1.0 3.0
   47    48    52    54   0.43200  1.0 3.0
   47    48   -52    55  -0.03700  1.0 1.0
   47    48   -52    55   0.37200 -1.0 2.0
   47    48   -52    55  -0.47300  1.0 3.0
   48    47    51    38   3.62500 -1.0 2.0
   48    52    55    56   0.15000  1.0 3.0
   48    52    55    57   0.15000  1.0 3.0
   48    52    55    58   0.56750  1.0 1.0
   48    52    55    58  -0.07550 -1.0 2.0
   48    52    55    58   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   50    48    52    55   0.15000  1.0 3.0
   52    55   -58    46  -0.03700  1.0 1.0
   52    55   -58    46   0.37200 -1.0 2.0
   52    55   -58    46  -0.47300  1.0 3.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60  -0.03700  1.0 1.0
   52    55    58    60   0.37200 -1.0 2.0
   52    55    58    60  -0.47300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    60    61   0.04150 -1.0 2.0
   55    58    60    67   0.04150 -1.0 2.0
   56    55    58    46   0.43200  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.43200  1.0 3.0
   57    55    58    46   0.43200  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.43200  1.0 3.0
   58    46   -47    48   3.62500 -1.0 2.0
   58    46    47    51   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    63   3.62500 -1.0 2.0
   58    60    67    66   3.62500 -1.0 2.0
   58    60    67    68   3.62500 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    67   0.00000  1.0 1.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    67    66   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    63   -65    66   3.62500 -1.0 2.0
   61    63    65    84   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    69   3.62500 -1.0 2.0
   63    65    84    81   0.04150 -1.0 2.0
   63    65    84    85   0.04150 -1.0 2.0
   63    65    84    89   0.04150 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    84   3.62500 -1.0 2.0
   65    66   -67    60   3.62500 -1.0 2.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    69    70   0.04150 -1.0 2.0
   65    66    69    73   0.04150 -1.0 2.0
   65    66    69    77   0.04150 -1.0 2.0
   65    84    85    86   0.43200  1.0 3.0
   65    84    85    87   0.43200  1.0 3.0
   65    84    85    88   0.43200  1.0 3.0
   65    84    89    90   0.43200  1.0 3.0
   65    84    89    91   0.43200  1.0 3.0
   65    84    89    92   0.43200  1.0 3.0
   66    65    84    81   0.04150 -1.0 2.0
   66    65    84    85   0.04150 -1.0 2.0
   66    65    84    89   0.04150 -1.0 2.0
   66    69    70    71   0.43200  1.0 3.0
   66    69    70    72   0.43200  1.0 3.0
   66    69   -70    81  -0.03700  1.0 1.0
   66    69   -70    81   0.37200 -1.0 2.0
   66    69   -70    81  -0.47300  1.0 3.0
   66    69    73    74   0.43200  1.0 3.0
   66    69    73    75   0.43200  1.0 3.0
   66    69    73    76   0.43200  1.0 3.0
   66    69    77    78   0.43200  1.0 3.0
   66    69    77    79   0.43200  1.0 3.0
   66    69    77    80   0.43200  1.0 3.0
   67    60    61    62   3.62500 -1.0 2.0
   67    60   -61    63   3.62500 -1.0 2.0
   67    66    69    70   0.04150 -1.0 2.0
   67    66    69    73   0.04150 -1.0 2.0
   67    66    69    77   0.04150 -1.0 2.0
   69    66    67    60   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    70    81    82   0.15000  1.0 3.0
   69    70    81    83   0.15000  1.0 3.0
   69    70    81    84   0.56750  1.0 1.0
   69    70    81    84  -0.07550 -1.0 2.0
   69    70    81    84   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   70    81   -84    65  -0.03700  1.0 1.0
   70    81   -84    65   0.37200 -1.0 2.0
   70    81   -84    65  -0.47300  1.0 3.0
   70    81    84    85   0.56750  1.0 1.0
   70    81    84    85  -0.07550 -1.0 2.0
   70    81    84    85   0.20000  1.0 3.0
   70    81    84    89   0.56750  1.0 1.0
   70    81    84    89  -0.07550 -1.0 2.0
   70    81    84    89   0.20000  1.0 3.0
   71    70    81    82   0.15000  1.0 3.0
   71    70    81    83   0.15000  1.0 3.0
   71    70    81    84   0.15000  1.0 3.0
   72    70    81    82   0.15000  1.0 3.0
   72    70    81    83   0.15000  1.0 3.0
   72    70    81    84   0.15000  1.0 3.0
   81    84    85    86   0.15000  1.0 3.0
   81    84    85    87   0.15000  1.0 3.0
   81    84    85    88   0.15000  1.0 3.0
   81    84    89    90   0.15000  1.0 3.0
   81    84    89    91   0.15000  1.0 3.0
   81    84    89    92   0.15000  1.0 3.0
   82    81    84    65   0.43200  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    89   0.15000  1.0 3.0
   83    81    84    65   0.43200  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    89   0.15000  1.0 3.0
   84    65    66    67   3.62500 -1.0 2.0
   84    65   -66    69   3.62500 -1.0 2.0
   85    84    89    90   0.15000  1.0 3.0
   85    84    89    91   0.15000  1.0 3.0
   85    84    89    92   0.15000  1.0 3.0
   89    84    85    86   0.15000  1.0 3.0
   89    84    85    87   0.15000  1.0 3.0
   89    84    85    88   0.15000  1.0 3.0
   73    69    70    71   0.15000  1.0 3.0
   73    69    70    72   0.15000  1.0 3.0
   73    69    70    81   0.56750  1.0 1.0
   73    69    70    81  -0.07550 -1.0 2.0
   73    69    70    81   0.20000  1.0 3.0
   73    69    77    78   0.15000  1.0 3.0
   73    69    77    79   0.15000  1.0 3.0
   73    69    77    80   0.15000  1.0 3.0
   77    69    70    71   0.15000  1.0 3.0
   77    69    70    72   0.15000  1.0 3.0
   77    69    70    81   0.56750  1.0 1.0
   77    69    70    81  -0.07550 -1.0 2.0
   77    69    70    81   0.20000  1.0 3.0
   77    69    73    74   0.15000  1.0 3.0
   77    69    73    75   0.15000  1.0 3.0
   77    69    73    76   0.15000  1.0 3.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    46   3.62500 -1.0 2.0
   51    47    48    49   0.00000  1.0 1.0
   51    47    48    50   0.00000  1.0 1.0
   51    47    48    52   0.38650  1.0 1.0
   51    47    48    52  -0.24750 -1.0 2.0
   51    47    48    52   0.76750  1.0 3.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    51   0.04300 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   41    51    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    58    46    41   4.00000 -1.0 2.0
   48    51    47    46   4.00000 -1.0 2.0
   61    67    60    58   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    84    65    63   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   66    68    67    60   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
