* LIGAND DATABASE FILE (OPLS2005)
*
001      96    99    191    315     583
    1     0 S   NP   _N1_     1    29.11458    94.79902   -18.52336
    2     1 S   H    _HN1     2     1.02965    98.19851    24.32360
    3     1 S   H    _H1_     3     1.02840    42.04623   130.55947
    4     1 S   H    _H2_     4     1.02778    72.16279   -82.42508
    5     1 S   CT   _CA1     5     1.50106   146.74670   173.87420
    6     5 S   HC   _HA1     6     1.09543   105.33991    29.83199
    7     5 S   CO3  _C1_     7     1.53885   112.49296   -90.78773
    8     7 S   O2Z  _O11     8     1.26362   115.09054   -36.87008
    9     7 S   O2Z  _O12     9     1.26275   115.08793   142.89429
   10     5 S   CT   _CB1    10     1.53125   107.51768   148.34166
   11    10 S   HC   HB11    11     1.09816   109.88706   -45.19375
   12    10 S   HC   HB12    12     1.09844   110.08684    71.46841
   13    10 S   CT   _CG1    13     1.53065   112.68127  -166.17853
   14    13 S   HC   HG11    14     1.09443   110.60712   -53.44206
   15    13 S   HC   HG12    15     1.09605   110.19565    65.60917
   16    13 S   C    _CD1    16     1.51748   111.86374  -174.20252
   17    16 S   O    _OE1    17     1.22741   123.02693   -18.82920
   18    16 S   N    _N2_    18     1.38558   111.81895   161.82620
   19    18 S   H    _HN2    19     1.01592   119.13938     2.00584
   20    18 S   CT1  _CA2    20     1.46175   123.37740  -176.95490
   21    20 S   HC   _HA2    21     1.09725   109.42222   -12.56360
   22    20 S   C    _C2_    22     1.53388   108.41873  -128.38249
   23    22 S   O    _O2_    23     1.23014   122.24615  -146.02209
   24    20 S   CT   _CB2    32     1.53413   111.14858   109.42695
   25    24 S   HC   HB21    33     1.09502   109.82279    56.60456
   26    24 S   HC   HB22    34     1.09525   110.56984   174.65735
   27    22 S   N    _N3_    24     1.38515   113.37167    41.38661
   28    27 S   H    _HN3    25     1.01525   118.91418    -0.56958
   29    24 S   S    _SG2    35     1.82973   111.84619   -66.32353
   30    27 S   CT   _CA3    26     1.45445   123.41238   175.14695
   31    30 S   HC   HA31    27     1.09526   109.19536    25.20504
   32    30 S   HC   HA32    28     1.09494   107.13176   142.19739
   33    29 S   CT   _C25    36     1.82321    99.95574   141.44362
   34    33 S   HC   _H3_    37     1.09604   108.61317    45.74474
   35    33 S   HC   _H4_    38     1.09328   107.50560   159.54868
   36    30 S   CO3  _C3_    29     1.52925   113.14555   -98.24691
   37    36 S   O2Z  _O31    30     1.26401   115.41677   -44.35106
   38    36 S   O2Z  _O32    31     1.26358   114.97566   136.59472
   39    33 S   CT   _C10    39     1.52577   112.91338   -77.33958
   40    39 S   HC   _H38    40     1.09794   109.62603    63.35089
   41    39 S   CO4  _C4_    41     1.52143   112.91249  -179.23408
   42    41 S   O    _O23    42     1.22540   123.73838   -39.39062
   43    39 S   CT   _C11    52     1.54772   118.29412   -62.38431
   44    43 S   HC   _H39    53     1.09460   109.75207    80.85931
   45    41 S   CT   _C18    43     1.54160   111.60700   139.33153
   46    45 S   CT   _C17    54     1.54809    99.43878    17.10086
   47    46 S   HC   _H45    55     1.08843   113.02750  -160.70099
   48    45 S   CT   _C12    44     1.57554   106.26990   -98.53395
   49    48 S   HC   _H40    45     1.10306   105.32849   -55.01683
   50    46 S   OH   _O27    56     1.42167   113.80545    77.31946
   51    50 S   HO   _H62    57     0.97555   107.25030   165.31702
   52    48 S   CT   _C7_    46     1.55775   110.75003    56.61582
   53    52 S   HC   _H32    47     1.09814   106.72924   -89.18577
   54    52 S   HC   _H33    48     1.08847   113.09588   157.30782
   55    48 S   CT   _C19    58     1.60804   114.96674  -168.08380
   56    52 S   CT   _C6_    49     1.53455   116.85670    30.88078
   57    56 S   HC   _H30    50     1.09691   108.72593    86.47792
   58    56 S   HC   _H31    51     1.09585   109.12301  -159.18751
   59    55 S   CT   _C13    59     1.58546   106.90631    49.40528
   60    59 S   HC   _H41    60     1.10298   104.36074    56.14926
   61    55 S   CT   _C22    93     1.54592   110.31142   -74.31002
   62    61 S   HC   _H49    94     1.09123   112.72371  -158.13131
   63    61 S   HC   _H50    95     1.09088   112.99791    81.23641
   64    61 S   HC   _H51    96     1.09255   111.79482   -40.68150
   65    59 S   CT   _C8_    61     1.54059   111.71611   -56.19711
   66    65 S   HC   _H34    62     1.09446   111.19880  -177.79167
   67    65 S   HC   _H35    63     1.09457   112.46646   -60.43176
   68    59 S   CT   _C20    68     1.57402   116.87903   169.84061
   69    45 S   CT   _C14    64     1.53523   109.61006   140.68235
   70    69 S   HC   _H42    65     1.09797   109.05817    50.08371
   71    68 S   CT   _C16    69     1.55686   109.15375   -52.25171
   72    71 S   HC   _H44    70     1.09806   108.98886   173.32133
   73    68 S   CT   _C23    85     1.55600   109.91417  -169.97675
   74    73 S   HC   _H52    86     1.09671   110.86106   166.42624
   75    73 S   HC   _H53    87     1.09548   111.86949    46.34573
   76    73 S   HC   _H54    88     1.09502   111.95261   -74.70130
   77    68 S   CT   _C24    89     1.54117   113.82366    71.41930
   78    77 S   HC   _H55    90     1.09717   110.50330   170.40782
   79    77 S   HC   _H56    91     1.09462   111.64819    51.46834
   80    77 S   HC   _H57    92     1.08885   113.45008   -70.92784
   81    69 S   OH   _O25    66     1.42313   112.41594   -66.67455
   82    81 S   HO   _H60    67     0.97198   107.93264   177.72531
   83    71 S   CT   _C9_    71     1.52450   112.74728    51.50736
   84    83 S   HC   _H36    72     1.09820   109.56956  -175.41918
   85    83 S   HC   _H37    73     1.09533   110.58292    69.81211
   86    71 S   OS   _O28    78     1.45159   108.80849   -68.04152
   87    55 S   CT   _C15    74     1.57364   110.67552   165.62856
   88    87 S   HC   _H43    75     1.09719   108.86051   -45.33515
   89    86 S   CO4  _C5_    79     1.36237   117.76867  -151.49131
   90    89 S   O    _O24    80     1.22295   126.45425    -0.41778
   91    87 S   OH   _O26    76     1.42651   111.58664    72.49666
   92    91 S   HO   _H61    77     0.97239   107.81367  -174.50802
   93    89 S   CT   _C21    81     1.49826   109.42644   179.76427
   94    93 S   HC   _H46    82     1.09294   109.82412   -60.47512
   95    93 S   HC   _H47    83     1.09376   109.37146  -179.50307
   96    93 S   HC   _H48    84     1.09292   109.80577    61.41166
  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   7   5   4   3
  11   5   4   2   1   1  15   7  16   5  14   8  21  14   5  24
   9   3   1  10   5   4  22   2   1   1  27  10   9   3   2   1
  11   5   4  17   3   2  19   8   9   3   2   1   5   2   1   1
   1   1   8   5   4   7   3   2   5   4   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    56    43    44    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    48    52    56    57    58    43    44    46    47    50    69  
   41    42    45    56    43    44    46  
   42    45    48    49    52    56    43    44    46    47    50    55    65    69    70    81  
   45    48    43    46    69  
   44    46    47    50    51    69    45    48    52    53    54    56    57    58  
   46    47    50    45    52    56    57    58  
   48    49    52    53    54    56    46    47    50    51    55    59    65    66    67    69    70    81    82    87    61  
   47    50    51    55    65    69    70    81    48    49    52    56    57    58  
   50    51    69    48    56  
   49    52    53    54    56    57    58    50    55    59    60    65    69    70    81    68    83    87    88    91    61    62    63    64  
   52    53    54    56    55    59    69    87    61  
   51    69    56  
    0  
   53    54    56    57    58    55    59    69    87    61  
   54    56    57    58    55  
   56    57    58    55  
   59    60    65    66    67    69    68    71    83    84    85    87    88    91    92    73    77    61    62    63    64    56  
   57    58  
   58  
    0  
   60    65    66    67    69    70    81    68    71    72    83    87    88    91    86    73    74    75    76    77    78    79    80    61    62    63    64  
   65    66    67    69    68    71    87    73    77    61  
   62    63    64    65    68    83    87    88    91  
   63    64    87  
   64    87  
   87  
   66    67    69    70    81    82    68    71    87    73    77  
   67    69    70    81    68  
   69    70    81    68  
   71    72    83    84    85    87    86    89    73    74    75    76    77    78    79    80    69  
   70    81    82  
   81    82  
   72    83    84    85    87    88    91    86    89    90    93    73    74    75    76    77    78    79    80  
   83    84    85    87    86    89    73    77  
   74    75    76    77    78    79    80    83    86  
   75    76    77  
   76    77  
   77  
   78    79    80    83    86  
   79    80  
   80  
    0  
   82  
    0  
   84    85    87    88    91    92    86    89  
   85    87    88    91    86  
   87    88    91    86  
   89    90    93    94    95    96    87  
   88    91    92  
   91    92  
   90    93    94    95    96  
   93    94    95    96  
   92  
    0  
   94    95    96  
   95    96  
   96  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    48   268.000  1.529
   45    46   268.000  1.529
   45    69   268.000  1.529
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    43   268.000  1.529
   43    44   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    50   320.000  1.410
   50    51   553.000  0.945
   55    59   268.000  1.529
   55    87   268.000  1.529
   55    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    81   320.000  1.410
   81    82   553.000  0.945
   68    71   268.000  1.529
   68    73   268.000  1.529
   68    77   268.000  1.529
   71    72   340.000  1.090
   71    83   268.000  1.529
   71    86   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    87   268.000  1.529
   87    88   340.000  1.090
   87    91   320.000  1.410
   91    92   553.000  0.945
   86    89   214.000  1.327
   89    90   570.000  1.229
   89    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   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
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    70.00000  116.00000
   39    43    56    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    45    48    63.00000  111.10000
   41    45    46    63.00000  111.10000
   41    45    69    63.00000  111.10000
   45    41    42    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    52    58.35000  112.70000
   45    48    55    58.35000  112.70000
   45    46    43    58.35000  112.70000
   45    46    47    37.50000  110.70000
   45    46    50    50.00000  109.50000
   45    69    65    58.35000  112.70000
   45    69    70    37.50000  110.70000
   45    69    81    50.00000  109.50000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    56    58.35000  112.70000
   48    55    59    58.35000  112.70000
   48    55    87    58.35000  112.70000
   48    55    61    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    43    58.35000  112.70000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   56    43    44    37.50000  110.70000
   56    43    46    58.35000  112.70000
   58    56    57    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    56    57    37.50000  110.70000
   43    56    58    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    50    50.00000  109.50000
   46    45    48    58.35000  112.70000
   46    43    44    37.50000  110.70000
   46    50    51    55.00000  108.50000
   50    46    47    35.00000  109.50000
   55    48    49    37.50000  110.70000
   55    48    52    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    65    58.35000  112.70000
   55    59    68    58.35000  112.70000
   55    87    83    58.35000  112.70000
   55    87    88    37.50000  110.70000
   55    87    91    50.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    69    58.35000  112.70000
   59    68    71    58.35000  112.70000
   59    68    73    58.35000  112.70000
   59    68    77    58.35000  112.70000
   65    59    60    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    81    50.00000  109.50000
   67    65    66    33.00000  107.80000
   69    45    48    58.35000  112.70000
   69    45    46    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    81    82    55.00000  108.50000
   81    69    70    35.00000  109.50000
   68    59    60    37.50000  110.70000
   68    59    65    58.35000  112.70000
   68    71    72    37.50000  110.70000
   68    71    83    58.35000  112.70000
   68    71    86    50.00000  109.50000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    80    37.50000  110.70000
   71    83    84    37.50000  110.70000
   71    83    85    37.50000  110.70000
   71    83    87    58.35000  112.70000
   71    86    89    83.00000  116.90000
   83    71    72    37.50000  110.70000
   83    87    88    37.50000  110.70000
   83    87    91    50.00000  109.50000
   85    83    84    33.00000  107.80000
   87    55    59    58.35000  112.70000
   87    83    84    37.50000  110.70000
   87    83    85    37.50000  110.70000
   87    91    92    55.00000  108.50000
   91    87    88    35.00000  109.50000
   86    71    72    35.00000  109.50000
   86    71    83    50.00000  109.50000
   86    89    90    83.00000  123.40000
   86    89    93    81.00000  111.40000
   89    93    94    35.00000  109.50000
   89    93    95    35.00000  109.50000
   89    93    96    35.00000  109.50000
   93    89    90    80.00000  120.40000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   73    68    71    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    68    71    58.35000  112.70000
   77    68    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
   61    55    59    58.35000  112.70000
   61    55    87    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  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    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.60050  1.0 1.0
   33    39    41    45   0.05600 -1.0 2.0
   33    39    41    45   0.26150  1.0 3.0
   33    39    43    56   0.56750  1.0 1.0
   33    39    43    56  -0.07550 -1.0 2.0
   33    39    43    56   0.20000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
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   61    55    59    65   0.20000  1.0 3.0
   61    55    59    68   0.56750  1.0 1.0
   61    55    59    68  -0.07550 -1.0 2.0
   61    55    59    68   0.20000  1.0 3.0
   61    55    87    83   0.56750  1.0 1.0
   61    55    87    83  -0.07550 -1.0 2.0
   61    55    87    83   0.20000  1.0 3.0
   61    55    87    88   0.15000  1.0 3.0
   61    55    87    91   0.86500  1.0 1.0
   61    55    87    91  -0.17500 -1.0 2.0
   61    55    87    91   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   86    93    89    90  10.50000 -1.0 2.0
END
