* LIGAND DATABASE FILE (OPLS2005)
*
001      96   101    200    335     605
    1     0 S   NP   _N1_     1    29.36722    99.91239   -19.04176
    2     1 S   H    _HN1     2     1.02951    65.22307    33.83944
    3     1 S   H    _H1_     3     1.02833    67.25164   156.77932
    4     1 S   H    _H2_     4     1.02785    74.22192   -85.56052
    5     1 S   CT   _CA1     5     1.50126   173.43063    83.40473
    6     5 S   HC   _HA1     6     1.09568   105.19945   130.11397
    7     5 S   CO3  _C1_     7     1.53771   112.43358     9.84491
    8     7 S   O2Z  _O11     8     1.26374   114.98870   -41.88349
    9     7 S   O2Z  _O12     9     1.26227   114.96584   137.26860
   10     5 S   CT   _CB1    10     1.53080   107.43249  -111.83306
   11    10 S   HC   HB11    11     1.09829   109.40712   -48.81489
   12    10 S   HC   HB12    12     1.09818   110.42762    67.81338
   13    10 S   CT   _CG1    13     1.52992   112.63789  -169.78437
   14    13 S   HC   HG11    14     1.09539   110.61551   -64.76771
   15    13 S   HC   HG12    15     1.09663   109.86416    54.47906
   16    13 S   C    _CD1    16     1.51786   112.23240   174.87830
   17    16 S   O    _OE1    17     1.22734   123.27533     3.92366
   18    16 S   N    _N2_    18     1.38618   111.65590  -176.18043
   19    18 S   H    _HN2    19     1.01595   119.02280     1.32751
   20    18 S   CT1  _CA2    20     1.46245   123.37723   178.77044
   21    20 S   HC   _HA2    21     1.09746   109.38082    -2.37949
   22    20 S   C    _C2_    22     1.53487   108.73269  -117.85521
   23    22 S   O    _O2_    23     1.23054   122.27539  -149.50718
   24    20 S   CT   _CB2    32     1.53541   111.37095   119.60618
   25    24 S   HC   HB21    33     1.09153   109.08306    57.16132
   26    24 S   HC   HB22    34     1.09335   109.68977   175.31124
   27    22 S   N    _N3_    24     1.38336   113.63661    38.07836
   28    27 S   H    _HN3    25     1.01612   119.50544    -3.70417
   29    24 S   S    _SG2    35     1.82994   110.51639   -65.38062
   30    27 S   CT   _CA3    26     1.45283   123.19046   176.97185
   31    30 S   HC   HA31    27     1.09551   107.52997   -63.88459
   32    30 S   HC   HA32    28     1.09558   107.95364    52.53864
   33    29 S   CT   _C17    36     1.90257   103.63196   164.00111
   34    30 S   CO3  _C3_    29     1.52951   114.09958   174.51031
   35    34 S   O2Z  _O31    30     1.26375   116.05567    -0.92090
   36    34 S   O2Z  _O32    31     1.26428   114.41506   179.14499
   37    33 S   CT   _C8_    37     1.58233   108.67210   177.07524
   38    37 S   HC   _H3_    38     1.10129   104.48753  -174.46650
   39    33 S   CT   _C16    84     1.60635   108.44073   -65.10726
   40    39 S   OM   _O34    85     1.32546   111.09411  -177.99065
   41    39 S   HC   _H6_    86     1.09659   106.19366    55.77338
   42    37 S   CT   _C7_    39     1.54049   112.33572   -64.25243
   43    42 S   HC   _H14    40     1.09594   109.76826  -176.44802
   44    42 S   HC   _H15    41     1.09412   111.82766    65.51398
   45    37 S   CT   _C9_    68     1.57997   115.52630    71.42483
   46    42 S   CT   _C6_    42     1.53152   111.33228   -58.80046
   47    46 S   HC   _H12    43     1.09563   108.12919  -179.87967
   48    46 S   HC   _H13    44     1.09762   107.21672   -66.28392
   49    45 S   CT   _C10    69     1.55597   115.60735  -124.81183
   50    49 S   HC   _H16    70     1.09646   111.17644    60.69425
   51    49 S   HC   _H17    71     1.09590   111.14958   -58.18932
   52    46 S   CT   _C5_    45     1.54598   114.74268    56.32976
   53    49 S   CT   _C11    72     1.53959   109.80614  -177.69073
   54    53 S   HC   _H18    73     1.09798   108.95904   125.69252
   55    53 S   HC   _H19    74     1.09590   110.76840  -118.58753
   56    52 S   CT   _C20    46     1.55483   112.59625  -157.52804
   57    56 S   HC   _H8_    47     1.09829   110.49407  -161.94182
   58    52 S   CT   _C4_    64     1.53915   110.56730    78.04191
   59    58 S   HC   _H9_    65     1.09510   111.17747  -170.84998
   60    58 S   HC   _H10    66     1.08994   112.77195    69.54840
   61    58 S   HC   _H11    67     1.09127   112.62762   -49.05167
   62    53 S   CO   _C12    75     1.54163   110.28943     5.09643
   63    56 S   CT   _C19    48     1.52586   102.56254    81.29500
   64    63 S   HC   _H20    49     1.09471   111.67510   140.95404
   65    63 S   HC   _H21    50     1.09499   113.17812   -96.52774
   66    56 S   NP   _N4_    54     1.52695   117.45859   -39.46527
   67    66 S   H    _H22    55     1.02853   107.90934    57.57766
   68    62 S   CT   _C13    76     1.54648   110.59931   -62.05100
   69    62 S   OS   _O37    91     1.43241   105.99489    57.43481
   70    62 S   OH   _O38    95     1.42188   108.04619   175.09500
   71    70 S   HO   _H34    96     0.97268   107.26019   167.11472
   72    63 S   OS   _O33    51     1.42345   107.77473    21.51768
   73    66 S   CT   _C21    56     1.51853   111.93929   174.03353
   74    73 S   HC   _H23    57     1.09324   108.40225    60.21450
   75    73 S   HC   _H24    58     1.09367   108.25536  -179.24801
   76    73 S   HC   _H25    59     1.09162   109.04999   -61.14780
   77    66 S   CT   _C22    60     1.50645   115.17945   -61.43635
   78    77 S   HC   _H26    61     1.09283   108.71509   -51.17912
   79    77 S   HC   _H27    62     1.08945   108.72480    71.37592
   80    77 S   HC   _H28    63     1.09406   108.57567  -171.47972
   81    68 S   CO4  _C23    77     1.51554   112.63909   162.48879
   82    81 S   O    _O36    78     1.22282   125.25040    50.94153
   83    68 S   CT   _C24    87     1.53501   113.97153   -74.80046
   84    83 S   HC   _H29    88     1.09445   111.74066    60.68776
   85    83 S   HC   _H30    89     1.09550   111.48657   -60.28866
   86    83 S   HC   _H31    90     1.09603   111.22337  -179.13929
   87    45 S   CT   _C25    92     1.55903   108.89425   118.36786
   88    87 S   HC   _H32    93     1.09260   112.36052   -60.43755
   89    87 S   HC   _H33    94     1.09665   110.60239    58.54887
   90    33 S   CT   _C18    52     1.58077   107.14031    59.73461
   91    90 S   HC   _H7_    53     1.09653   109.28800   -55.14305
   92    81 S   OS   _O35    79     1.36607   110.58844  -130.64337
   93    92 S   CT   _C15    80     1.43933   110.90281     0.02798
   94    93 S   HC   _H5_    81     1.10039   104.65980   -98.40160
   95    45 S   CT   _C14    82     1.55613   113.45839    -3.64035
   96    95 S   HC   _H4_    83     1.09679   107.16614   -78.48695
  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  13   5   4   3
  23   2   1   1  27  10  15   6   5  13   6   5  21  14   5   4
  15   7   6  16  11   5   4  21  10   8   3   2   1  17   9   4
   3  11   8  15   8   5   1   2   7   3   2   1   3   2   1   1
  10   4   7   3   2   1   5   2   1   2   1   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    90    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    72    90    91    45    93    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    52    56    63    72    90    91    58    45    49    92    93    94    95    39    40    41    87  
   35    36  
   36  
    0  
   38    42    43    44    46    47    48    52    72    90    91    45    49    50    51    53    68    93    95    96    39    40    41    69    87    88    89  
   42    43    44    46    90    45    49    95    39    87  
   40    41    42    45    52    68    72    81    90    91    92    93    94    95    96  
   41    90    92    93    94    95  
   90    92    93    94    95  
   43    44    46    47    48    52    56    90    58    45    49    95    87  
   44    46    47    48    52    45  
   46    47    48    52    45  
   49    50    51    53    54    55    62    68    81    92    93    94    95    96    83    69    87    88    89    46    90  
   47    48    52    56    57    63    72    90    91    66    58    59    60    61  
   48    52    56    90    58  
   52    56    90    58  
   50    51    53    54    55    62    68    93    95    96    69    87    88    89    70  
   51    53    54    55    62    95    87  
   53    54    55    62    95    87  
   56    57    63    64    65    72    90    91    66    67    73    77    58    59    60    61  
   54    55    62    68    81    95    83    69    87    70    71  
   55    62    68    69    70  
   62    68    69    70  
   57    63    64    65    72    90    91    66    67    73    74    75    76    77    78    79    80    58    59    60    61  
   63    64    65    72    90    66    67    73    77    58  
   59    60    61    63    66    72    90    91  
   60    61    90  
   61    90  
   90  
   68    81    82    92    93    95    96    83    84    85    86    69    87    88    89    70    71  
   64    65    72    90    91    66    67    73    77  
   65    72    90    66  
   72    90    66  
   67    73    74    75    76    77    78    79    80    72    90  
   73    74    75    76    77    78    79    80  
   81    82    92    93    94    95    96    83    84    85    86    69    87    70    71  
   87    88    89    70    71    81    83    95  
   71    81    83    87    95  
    0  
   90    91  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    92    93    94    95    96    83    84    85    86  
   92    93    95    83  
   84    85    86    92    93    95    96  
   85    86    95  
   86    95  
   95  
   88    89    93    95    96  
   89    95  
   95  
   91    93  
    0  
   93    94    95    96  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   67   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    90   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    56   268.000  1.529
   52    90   268.000  1.529
   52    58   268.000  1.529
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    66   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   320.000  1.410
   72    90   320.000  1.410
   90    91   340.000  1.090
   66    67   434.000  1.010
   66    73   367.000  1.471
   66    77   367.000  1.471
   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
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   45    49   268.000  1.529
   45    95   268.000  1.529
   45    87   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   250.000  1.527
   62    68   250.000  1.527
   62    69   320.000  1.380
   62    70   380.000  1.407
   68    81   317.000  1.522
   68    95   268.000  1.529
   68    83   268.000  1.529
   81    82   570.000  1.229
   81    92   214.000  1.327
   92    93   320.000  1.410
   93    94   340.000  1.090
   93    95   268.000  1.529
   93    39   268.000  1.529
   95    96   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   70    71   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    90    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    90    52    58.35000  112.70000
   33    90    72    50.00000  109.50000
   33    90    91    37.50000  110.70000
   33    39    93    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    45    49    58.35000  112.70000
   37    45    95    58.35000  112.70000
   37    45    87    58.35000  112.70000
   42    37    38    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    58.35000  112.70000
   44    42    43    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    37.50000  110.70000
   46    52    56    58.35000  112.70000
   46    52    90    58.35000  112.70000
   46    52    58    58.35000  112.70000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    63    58.35000  112.70000
   52    56    66    80.00000  111.20000
   52    90    72    50.00000  109.50000
   52    90    91    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    72    50.00000  109.50000
   56    66    67    35.00000  109.50000
   56    66    73    75.00000  113.01200
   56    66    77    75.00000  113.01200
   63    56    57    37.50000  110.70000
   63    72    90    60.00000  109.50000
   65    63    64    33.00000  107.80000
   72    63    64    35.00000  109.50000
   72    63    65    35.00000  109.50000
   72    90    91    35.00000  109.50000
   90    33    37    58.35000  112.70000
   90    52    56    58.35000  112.70000
   66    56    57    35.00000  109.50000
   66    56    63    80.00000  111.20000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   66    77    78    35.00000  109.50000
   66    77    79    35.00000  109.50000
   66    77    80    35.00000  109.50000
   73    66    67    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    66    67    35.00000  109.50000
   77    66    73    75.00000  113.01200
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   58    52    56    58.35000  112.70000
   58    52    90    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    42    58.35000  112.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    53    58.35000  112.70000
   45    95    68    58.35000  112.70000
   45    95    93    58.35000  112.70000
   45    95    96    37.50000  110.70000
   45    87    69    50.00000  109.50000
   45    87    88    37.50000  110.70000
   45    87    89    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    75.00000  109.43000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    68    65.00000  112.71400
   53    62    69    90.00000  108.56700
   53    62    70    90.00000  110.19100
   55    53    54    33.00000  107.80000
   62    53    54    45.00000  108.72000
   62    53    55    45.00000  108.72000
   62    68    81    63.00000  111.10000
   62    68    95    75.00000  109.43000
   62    68    83    75.00000  109.43000
   62    69    87    60.00000  109.50000
   62    70    71    70.00000  107.92000
   68    81    82    80.00000  120.40000
   68    81    92    81.00000  111.40000
   68    95    93    58.35000  112.70000
   68    95    96    37.50000  110.70000
   68    83    84    37.50000  110.70000
   68    83    85    37.50000  110.70000
   68    83    86    37.50000  110.70000
   81    92    93    83.00000  116.90000
   92    81    82    83.00000  123.40000
   92    93    94    35.00000  109.50000
   92    93    95    50.00000  109.50000
   92    93    39    50.00000  109.50000
   93    95    96    37.50000  110.70000
   93    39    40    50.00000  109.50000
   93    39    41    37.50000  110.70000
   95    45    49    58.35000  112.70000
   95    68    81    63.00000  111.10000
   95    93    94    37.50000  110.70000
   39    33    37    58.35000  112.70000
   39    33    90    58.35000  112.70000
   39    93    94    37.50000  110.70000
   39    93    95    58.35000  112.70000
   41    39    40    45.00000  125.66300
   83    68    81    63.00000  111.10000
   83    68    95    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    62    68    90.00000  108.56700
   69    87    88    35.00000  109.50000
   69    87    89    35.00000  109.50000
   87    45    49    58.35000  112.70000
   87    45    95    58.35000  112.70000
   89    87    88    33.00000  107.80000
   70    62    68    90.00000  110.19100
   70    62    69   110.00000  112.08000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    90   0.01700  1.0 1.0
   24    29    33    90  -0.23550 -1.0 2.0
   24    29    33    90   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
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   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    90    52   0.56750  1.0 1.0
   39    33    90    52  -0.07550 -1.0 2.0
   39    33    90    52   0.20000  1.0 3.0
   39    33    90    72   0.62750  1.0 1.0
   39    33    90    72  -0.30950 -1.0 2.0
   39    33    90    72   0.27300  1.0 3.0
   39    33    90    91   0.15000  1.0 3.0
   39    93   -95    45   0.56750  1.0 1.0
   39    93   -95    45  -0.07550 -1.0 2.0
   39    93   -95    45   0.20000  1.0 3.0
   39    93    95    68   0.56750  1.0 1.0
   39    93    95    68  -0.07550 -1.0 2.0
   39    93    95    68   0.20000  1.0 3.0
   39    93    95    96   0.15000  1.0 3.0
   83    68    81    82   0.30150 -1.0 2.0
   83    68    81    92   0.36750  1.0 3.0
   83    68    95    45   0.56750  1.0 1.0
   83    68    95    45  -0.07550 -1.0 2.0
   83    68    95    45   0.20000  1.0 3.0
   83    68    95    93   0.56750  1.0 1.0
   83    68    95    93  -0.07550 -1.0 2.0
   83    68    95    93   0.20000  1.0 3.0
   83    68    95    96   0.15000  1.0 3.0
   69    62    68    81  -0.09450  1.0 1.0
   69    62    68    81  -1.12950 -1.0 2.0
   69    62    68    81   0.54000  1.0 3.0
   69    62   -68    95   0.62750  1.0 1.0
   69    62   -68    95  -0.30950 -1.0 2.0
   69    62   -68    95   0.27300  1.0 3.0
   69    62    68    83   0.62750  1.0 1.0
   69    62    68    83  -0.30950 -1.0 2.0
   69    62    68    83   0.27300  1.0 3.0
   69    62    70    71  -0.50000  1.0 1.0
   69    62    70    71  -0.73950 -1.0 2.0
   69    62    70    71   0.17150  1.0 3.0
   87    45    49    50   0.15000  1.0 3.0
   87    45    49    51   0.15000  1.0 3.0
   87    45   -49    53   0.56750  1.0 1.0
   87    45   -49    53  -0.07550 -1.0 2.0
   87    45   -49    53   0.20000  1.0 3.0
   87    45   -95    68   0.56750  1.0 1.0
   87    45   -95    68  -0.07550 -1.0 2.0
   87    45   -95    68   0.20000  1.0 3.0
   87    45    95    93   0.56750  1.0 1.0
   87    45    95    93  -0.07550 -1.0 2.0
   87    45    95    93   0.20000  1.0 3.0
   87    45    95    96   0.15000  1.0 3.0
   70    62    68    81  -0.09450  1.0 1.0
   70    62    68    81  -1.12950 -1.0 2.0
   70    62    68    81   0.54000  1.0 3.0
   70    62    68    95   0.86500  1.0 1.0
   70    62    68    95  -0.17500 -1.0 2.0
   70    62    68    95   0.20800  1.0 3.0
   70    62    68    83   0.86500  1.0 1.0
   70    62    68    83  -0.17500 -1.0 2.0
   70    62    68    83   0.20800  1.0 3.0
   70    62    69    87  -0.81800  1.0 1.0
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
   68    92    81    82  10.50000 -1.0 2.0
END
