* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    194    322     592
    1     0 S   NP   _N1_     1    28.46871    95.32857   -23.39761
    2     1 S   H    _HN1     2     1.02787   105.22506   -97.83309
    3     1 S   H    _H1_     3     1.02949    80.23594     8.70328
    4     1 S   H    _H2_     4     1.02828    29.85470   162.64115
    5     1 S   CT   _CA1     5     1.50116   134.34581   117.74665
    6     5 S   HC   _HA1     6     1.09574   105.18449    81.31135
    7     5 S   CO3  _C1_     7     1.53783   112.48772   -38.90694
    8     7 S   O2Z  _O11     8     1.26371   115.00384   -41.96260
    9     7 S   O2Z  _O12     9     1.26242   114.94739   137.15723
   10     5 S   CT   _CB1    10     1.53078   107.41743  -160.70582
   11    10 S   HC   HB11    11     1.09834   109.35009   -49.67138
   12    10 S   HC   HB12    12     1.09812   110.45570    66.93361
   13    10 S   CT   _CG1    13     1.52993   112.61669  -170.64665
   14    13 S   HC   HG11    14     1.09579   110.64825   -66.27579
   15    13 S   HC   HG12    15     1.09672   109.76425    52.95719
   16    13 S   C    _CD1    16     1.51801   112.19960   173.40721
   17    16 S   O    _OE1    17     1.22735   123.27944     8.10375
   18    16 S   N    _N2_    18     1.38657   111.69240  -171.97503
   19    18 S   H    _HN2    19     1.01577   118.94457     1.52701
   20    18 S   CT1  _CA2    20     1.46176   123.37204   177.05543
   21    20 S   HC   _HA2    21     1.09744   109.36846     3.51419
   22    20 S   C    _C2_    22     1.53587   108.59587  -111.91683
   23    22 S   O    _O2_    23     1.23058   122.29891  -147.74919
   24    20 S   CT   _CB2    32     1.53418   111.74089   125.50226
   25    24 S   HC   HB21    33     1.09587   109.79058    55.90194
   26    24 S   HC   HB22    34     1.09172   109.59199   174.31900
   27    22 S   N    _N3_    24     1.38327   113.71526    39.68526
   28    27 S   H    _HN3    25     1.01576   119.60481    -3.26525
   29    24 S   S    _SG2    35     1.83284   111.17405   -64.14837
   30    27 S   CT   _CA3    26     1.45284   123.22510   177.16856
   31    30 S   HC   HA31    27     1.09548   107.50721   -64.73464
   32    30 S   HC   HA32    28     1.09556   107.99261    51.71030
   33    29 S   CT   _C20    36     1.89173   103.05808  -160.95514
   34    30 S   CO3  _C3_    29     1.52963   114.06831   173.71066
   35    34 S   O2Z  _O31    30     1.26378   116.07175    -0.59610
   36    34 S   O2Z  _O32    31     1.26427   114.41276   179.46295
   37    33 S   CM   _C19    37     1.52830   106.82612   -38.96177
   38    37 S   HC   _H23    38     1.08955   117.43262   -56.45448
   39    33 S   CT   _C25    70     1.55367   104.95945  -150.16146
   40    39 S   HC   _H28    71     1.09799   110.69342   174.46515
   41    39 S   HC   _H29    72     1.09871   111.52489    55.88684
   42    37 S   CM   _C18    39     1.34097   125.16366   122.68668
   43    42 S   HC   _H22    40     1.08432   118.45579  -176.86138
   44    42 S   CT   _C17    41     1.49701   121.31919    -0.30647
   45    44 S   HC   _H8_    42     1.09837   104.40490   -82.86705
   46    44 S   CT   _C12    43     1.54514   118.94056   162.47566
   47    46 S   HC   _H5_    44     1.10019   103.64645   143.71227
   48    44 S   CT   _C16    59     1.55633   108.51444    33.56078
   49    48 S   HC   _H7_    60     1.09694   108.52301    51.48050
   50    46 S   CT   _C11    45     1.52166   119.93959    27.66019
   51    50 S   HC   _H18    46     1.09486   112.03465    68.24116
   52    50 S   HC   _H19    47     1.09393   112.74210   -53.18925
   53    33 S   CT   _C21    61     1.61884   114.48040    89.33364
   54    50 S   CT   _C10    48     1.53232   103.58526  -171.50121
   55    54 S   HC   _H16    49     1.09616   110.10920   141.15848
   56    54 S   HC   _H17    50     1.09349   109.55945  -102.04051
   57    53 S   CT   _C22    62     1.57071   110.83243    96.05387
   58    57 S   HC   _H24    63     1.09720   110.55374  -159.77059
   59    57 S   HC   _H25    64     1.09890   109.71618    83.96939
   60    53 S   CT   _C26    73     1.55029   114.43476   -23.85520
   61    60 S   HC   _H30    74     1.09045   113.09898   -57.91285
   62    60 S   HC   _H31    75     1.09587   111.20410  -177.72712
   63    60 S   HC   _H32    76     1.09485   111.89121    64.19302
   64    54 S   CT   _C9_    51     1.55737   107.60668    20.52630
   65    64 S   HC   _H4_    52     1.10008   106.72836   118.42001
   66    57 S   CT   _C23    65     1.51985   114.02651   -37.09940
   67    66 S   HC   _H26    66     1.09323   111.89685   -58.87588
   68    66 S   HC   _H27    67     1.09527   109.48141  -179.15791
   69    46 S   CT   _C13    53     1.54304   115.94910   -99.70014
   70    66 S   CO4  _C24    68     1.50633   109.11086    62.44801
   71    70 S   O    _O35    69     1.23047   121.42382   154.64005
   72    64 S   CT   _C5_    83     1.56156   113.31713  -127.30703
   73    72 S   HC   _H3_    84     1.09763   107.03276  -179.90309
   74    69 S   CT   _C14    54     1.56126   108.92984   -58.99881
   75    74 S   HC   _H6_    55     1.09017   111.72215   -93.88076
   76    69 S   CT   _C27    79     1.56280   111.88846    64.32257
   77    76 S   HC   _H34    80     1.09678   110.65001   174.34379
   78    76 S   HC   _H35    81     1.09483   112.37661    55.98769
   79    76 S   HC   _H36    82     1.08986   113.70037   -65.25336
   80    72 S   CT   _C4_    85     1.54061   109.55300   -65.78526
   81    80 S   HC   _H9_    86     1.09454   111.73902    72.21279
   82    80 S   HC   _H10    87     1.09539   111.01372   -48.49315
   83    80 S   HC   _H11    88     1.09438   111.18097  -167.10906
   84    72 S   CT   _C6_    89     1.54641   115.21946    59.59180
   85    84 S   HC   _H12    90     1.09594   110.45525   -65.69392
   86    84 S   HC   _H13    91     1.09250   110.03229    51.39235
   87    74 S   CT   _C15    56     1.55356   113.93580    26.40871
   88    87 S   HC   _H20    57     1.09711   108.57147   -88.28603
   89    87 S   HC   _H21    58     1.09430   109.14711   155.42918
   90    74 S   OH   _O36    77     1.42880   110.38318   149.58637
   91    90 S   HO   _H33    78     0.97237   107.65896   174.75835
   92    84 S   CT   _C7_    92     1.53022   113.40957   172.00557
   93    92 S   HC   _H14    93     1.09699   109.41674   -50.75086
   94    92 S   HC   _H15    94     1.09579   110.16495    67.41590
   95    92 S   CO3  _C8_    95     1.53346   114.97311  -171.93450
   96    95 S   O2Z  _O34    96     1.26525   114.02648   172.21772
   97    95 S   O2Z  _O33    97     1.26137   116.68294    -8.04589
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  22   2   1   1  14   5  12   5   4  11   4  19   8  22   9  18
   7  11   6   5  15  11   5   4  12   6   5   5   2   1   1  20
   7   4   3   2  15   1   1  14   8  10   6   5   2   1   1   7
   3   2   1   8   5   4   4   2   1   1   1   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    53    57    70    39    40    41    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    87    48    49    53    57    58    59    66    70    71    39    40    41    60    61    62    63  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    53    57    70    39    40    41    60  
   42    43    44    53    39  
   40    41    60    42    48    53    57    66    67    68    70    71  
   41    53    66    70    71  
   53    66    70    71  
   43    44    45    46    47    50    69    87    48    49    53  
   44    45    46    48  
   45    46    47    50    51    52    54    64    69    74    87    88    89    48    49    53    57    60    76  
   46    47    50    69    87    48    49    53  
   47    50    51    52    54    55    56    64    65    69    74    75    87    48    49    53    90    76    77    78    79    72  
   50    51    52    54    64    69    74    48    76  
   49    53    57    58    59    66    60    61    62    63    90    50    69    74    75    87    88    89  
   53    57    60    74    87    88    89  
   51    52    54    55    56    64    65    69    74    76    72  
   52    54    55    56    64    69  
   54    55    56    64    69  
   57    58    59    66    67    68    70    60    61    62    63    74    87    88    89  
   55    56    64    65    69    74    76    72    73    80    84  
   56    64    65    69    72  
   64    65    69    72  
   58    59    66    67    68    70    71    60    61    62    63    87  
   59    66    67    68    70    60  
   66    67    68    70    60  
   61    62    63    66    87  
   62    63  
   63  
    0  
   65    69    74    75    87    90    76    77    78    79    72    73    80    81    82    83    84    85    86    92  
   69    74    76    72    73    80    84  
   67    68    70    71  
   68    70    71  
   70    71  
   74    75    87    88    89    90    91    76    77    78    79    72    73    80    84  
   71  
    0  
   73    80    81    82    83    84    85    86    92    93    94    95    74    76  
   80    81    82    83    84    85    86    92  
   75    87    88    89    90    91    76    77    78    79  
   87    88    89    90    91    76  
   77    78    79    87    90  
   78    79  
   79  
    0  
   81    82    83    84    85    86    92  
   82    83    84  
   83    84  
   84  
   85    86    92    93    94    95    96    97  
   86    92    93    94    95  
   92    93    94    95  
   88    89    90    91  
   89    90  
   90  
   91  
    0  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    69   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   268.000  1.529
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    72   268.000  1.529
   69    74   268.000  1.529
   69    76   268.000  1.529
   74    75   340.000  1.090
   74    87   268.000  1.529
   74    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    48   268.000  1.529
   48    49   340.000  1.090
   48    53   268.000  1.529
   53    57   268.000  1.529
   53    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.522
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   90    91   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   72    73   340.000  1.090
   72    80   268.000  1.529
   72    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.522
   95    96   656.000  1.250
   95    97   656.000  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    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  112.20000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    53    48    58.35000  112.70000
   33    53    57    58.35000  112.70000
   33    53    60    58.35000  112.70000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    35.00000  120.00000
   37    42    44    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    48    70.00000  112.02700
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    46    69    58.35000  112.70000
   44    48    87    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    53    58.35000  112.70000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   46    69    64    58.35000  112.70000
   46    69    74    58.35000  112.70000
   46    69    76    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    64    58.35000  112.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    69    58.35000  112.70000
   54    64    72    58.35000  112.70000
   56    54    55    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    56    37.50000  110.70000
   64    69    74    58.35000  112.70000
   64    69    76    58.35000  112.70000
   64    72    73    37.50000  110.70000
   64    72    80    58.35000  112.70000
   64    72    84    58.35000  112.70000
   69    46    47    37.50000  110.70000
   69    46    50    58.35000  112.70000
   69    64    65    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    87    58.35000  112.70000
   69    74    90    50.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   74    87    88    37.50000  110.70000
   74    87    89    37.50000  110.70000
   74    87    48    58.35000  112.70000
   74    90    91    55.00000  108.50000
   87    74    75    37.50000  110.70000
   87    48    49    37.50000  110.70000
   87    48    53    58.35000  112.70000
   89    87    88    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    87    88    37.50000  110.70000
   48    87    89    37.50000  110.70000
   48    53    57    58.35000  112.70000
   48    53    60    58.35000  112.70000
   53    33    37    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    66    58.35000  112.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    70    63.00000  111.10000
   59    57    58    33.00000  107.80000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    39    70.00000  116.00000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    39    40    35.00000  109.50000
   70    39    41    35.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    70    71    80.00000  120.40000
   41    39    40    33.00000  107.80000
   60    53    57    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   90    74    75    35.00000  109.50000
   90    74    87    50.00000  109.50000
   76    69    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    69    58.35000  112.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   72    84    85    37.50000  110.70000
   72    84    86    37.50000  110.70000
   72    84    92    58.35000  112.70000
   80    72    73    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    72    73    37.50000  110.70000
   84    72    80    58.35000  112.70000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    70.00000  109.69300
   86    84    85    33.00000  107.80000
   92    84    85    37.50000  110.70000
   92    84    86    37.50000  110.70000
   92    95    96    70.00000  117.00000
   92    95    97    70.00000  117.00000
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   97    95    96    80.00000  126.00000
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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
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   29    33    53    57  -0.17800 -1.0 2.0
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   29    33    53    60  -0.17800 -1.0 2.0
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   69    74    87    48  -0.07550 -1.0 2.0
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   69    74    90    91  -0.11600  1.0 1.0
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   48    53    57    66  -0.07550 -1.0 2.0
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   49    48    53    33   0.15000  1.0 3.0
   49    48    53    57   0.15000  1.0 3.0
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   53    57    66    67   0.15000  1.0 3.0
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   53    57   -66    70  -0.95700  1.0 1.0
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   53    57   -66    70   0.29450  1.0 3.0
   57    53    60    61   0.15000  1.0 3.0
   57    53    60    62   0.15000  1.0 3.0
   57    53    60    63   0.15000  1.0 3.0
   57    66    70    71   0.30150 -1.0 2.0
   57    66    70    39   0.60050  1.0 1.0
   57    66    70    39   0.05600 -1.0 2.0
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   58    57    66    67   0.15000  1.0 3.0
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   58    57    66    70  -0.11250  1.0 3.0
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   59    57    66    70  -0.11250  1.0 3.0
   66    70   -39    33   0.60050  1.0 1.0
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   66    70    39    40   0.00000  1.0 1.0
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   67    66    70    71   0.00000  1.0 1.0
   67    66    70    39   0.00000  1.0 1.0
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   39    33    37    42  -0.50650  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33   -53    57   0.56750  1.0 1.0
   39    33   -53    57  -0.07550 -1.0 2.0
   39    33   -53    57   0.20000  1.0 3.0
   39    33    53    60   0.56750  1.0 1.0
   39    33    53    60  -0.07550 -1.0 2.0
   39    33    53    60   0.20000  1.0 3.0
   60    53    57    58   0.15000  1.0 3.0
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   60    53    57    66   0.56750  1.0 1.0
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   90    74    87    48   0.86500  1.0 1.0
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   76    69    74    87  -0.07550 -1.0 2.0
   76    69    74    87   0.20000  1.0 3.0
   76    69    74    90   0.86500  1.0 1.0
   76    69    74    90  -0.17500 -1.0 2.0
   76    69    74    90   0.20800  1.0 3.0
   72    64    69    46   0.56750  1.0 1.0
   72    64    69    46  -0.07550 -1.0 2.0
   72    64    69    46   0.20000  1.0 3.0
   72    64    69    74   0.56750  1.0 1.0
   72    64    69    74  -0.07550 -1.0 2.0
   72    64    69    74   0.20000  1.0 3.0
   72    64    69    76   0.56750  1.0 1.0
   72    64    69    76  -0.07550 -1.0 2.0
   72    64    69    76   0.20000  1.0 3.0
   72    84    92    93   0.15000  1.0 3.0
   72    84    92    94   0.15000  1.0 3.0
   72    84    92    95  -1.63150  1.0 1.0
   72    84    92    95  -0.43550 -1.0 2.0
   72    84    92    95   0.24500  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    82   0.15000  1.0 3.0
   73    72    80    83   0.15000  1.0 3.0
   73    72    84    85   0.15000  1.0 3.0
   73    72    84    86   0.15000  1.0 3.0
   73    72    84    92   0.15000  1.0 3.0
   80    72    84    85   0.15000  1.0 3.0
   80    72    84    86   0.15000  1.0 3.0
   80    72    84    92   0.56750  1.0 1.0
   80    72    84    92  -0.07550 -1.0 2.0
   80    72    84    92   0.20000  1.0 3.0
   84    72    80    81   0.15000  1.0 3.0
   84    72    80    82   0.15000  1.0 3.0
   84    72    80    83   0.15000  1.0 3.0
   84    92    95    96   0.41150 -1.0 2.0
   84    92    95    97   0.41150 -1.0 2.0
   85    84    92    93   0.15000  1.0 3.0
   85    84    92    94   0.15000  1.0 3.0
   85    84    92    95  -0.11250  1.0 3.0
   86    84    92    93   0.15000  1.0 3.0
   86    84    92    94   0.15000  1.0 3.0
   86    84    92    95  -0.11250  1.0 3.0
   93    92    95    96   0.00000  1.0 1.0
   93    92    95    97   0.00000  1.0 1.0
   94    92    95    96   0.00000  1.0 1.0
   94    92    95    97   0.00000  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
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
   96    92    95    97  10.50000 -1.0 2.0
END
