* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    161    247     466
    1     0 S   NP   _N1_     1    28.75782    94.86488   -24.52142
    2     1 S   H    _HN1     2     1.02949    79.53385    12.83996
    3     1 S   H    _H1_     3     1.02829    28.92150   174.93434
    4     1 S   H    _H2_     4     1.02787   109.45127   -93.09449
    5     1 S   CT   _CA1     5     1.50108   130.58006   120.82183
    6     5 S   HC   _HA1     6     1.09572   105.19989    83.99737
    7     5 S   CO3  _C1_     7     1.53795   112.48890   -36.25695
    8     7 S   O2Z  _O11     8     1.26372   115.00802   -42.05102
    9     7 S   O2Z  _O12     9     1.26242   114.95270   137.12375
   10     5 S   CT   _CB1    10     1.53081   107.42741  -157.99174
   11    10 S   HC   HB11    11     1.09832   109.39749   -49.56563
   12    10 S   HC   HB12    12     1.09813   110.43664    67.05603
   13    10 S   CT   _CG1    13     1.52980   112.58988  -170.53685
   14    13 S   HC   HG11    14     1.09587   110.63277   -65.33532
   15    13 S   HC   HG12    15     1.09670   109.79059    53.89354
   16    13 S   C    _CD1    16     1.51791   112.25698   174.37642
   17    16 S   O    _OE1    17     1.22723   123.29341     6.53201
   18    16 S   N    _N2_    18     1.38610   111.60491  -173.54457
   19    18 S   H    _HN2    19     1.01570   118.98636     1.83813
   20    18 S   CT1  _CA2    20     1.46294   123.55179   178.33188
   21    20 S   HC   _HA2    21     1.09733   109.36219     4.38785
   22    20 S   C    _C2_    22     1.53591   108.70352  -111.16565
   23    22 S   O    _O2_    23     1.23056   122.35321  -148.80731
   24    20 S   CT   _CB2    32     1.53314   111.24610   126.40250
   25    24 S   HC   HB21    33     1.09512   109.58314    56.12118
   26    24 S   HC   HB22    34     1.09455   110.28231   174.96701
   27    22 S   N    _N3_    24     1.38354   113.75267    38.70948
   28    27 S   H    _HN3    25     1.01563   119.57198    -3.27817
   29    24 S   S    _SG2    35     1.82878   111.09550   -65.35154
   30    27 S   CT   _CA3    26     1.45276   123.21569   177.15586
   31    30 S   HC   HA31    27     1.09549   107.50662   -64.78381
   32    30 S   HC   HA32    28     1.09557   107.99543    51.65959
   33    29 S   CT   _C16    36     1.88235   100.21490   161.71078
   34    30 S   CO3  _C3_    29     1.52957   114.07905   173.66324
   35    34 S   O2Z  _O31    30     1.26376   116.07915    -0.56406
   36    34 S   O2Z  _O32    31     1.26429   114.41022   179.49487
   37    33 S   CT   _C15    37     1.53867   107.14470  -178.56660
   38    37 S   HC   _H8_    38     1.09713   111.28435    59.88117
   39    37 S   HC   _H9_    39     1.09643   112.67063   -59.14756
   40    33 S   CT   _C17    78     1.58405   112.03746    59.61486
   41    40 S   OM   _O38    79     1.33050   111.21041    53.35241
   42    40 S   HC   _H3_    80     1.10010   105.00136   -72.56046
   43    33 S   OS   _O39    83     1.44967   109.65378   -57.46221
   44    37 S   CO4  _C14    40     1.52217   110.99639   179.18699
   45    44 S   O    _O35    41     1.23599   118.56447  -126.06849
   46    43 S   CT   _C20    84     1.41909   118.26085   -67.87148
   47    46 S   HC   _H11    85     1.09395   107.66980   170.32482
   48    46 S   HC   _H12    86     1.09247   112.31767    51.69820
   49    46 S   HC   _H13    87     1.09232   111.04587   -72.41273
   50    44 S   CT   _C13    42     1.55424   118.26376    55.34087
   51    50 S   OM   _O40    43     1.33241   104.33983    70.08937
   52    50 S   CMA  _C12    44     1.59231   108.83212  -170.85045
   53    52 S   OM   _O34    45     1.27204   114.49174   -86.31616
   54    52 S   CM   _C10    46     1.35763   116.98015    89.50135
   55    54 S   CM   _C9_    47     1.44107   123.46168     1.65918
   56    54 S   CO4  _C11    57     1.51008   120.30299  -176.64620
   57    56 S   O    _O33    58     1.22439   123.09494   -36.95566
   58    55 S   CM   _C8_    48     1.34194   121.58721  -158.41827
   59    58 S   HC   _H7_    49     1.08586   121.82081  -179.62051
   60    55 S   CO4  _C19    75     1.48519   120.39237    24.18015
   61    60 S   O    _O36    76     1.23437   119.46800   160.24630
   62    58 S   CA   _C7_    50     1.46794   120.78502     1.40458
   63    50 S   CT   _C18    77     1.58776   108.85280   -45.61109
   64    62 S   CA   _C21    51     1.40249   118.87928   170.13917
   65    64 S   HA   _H14    52     1.08671   118.49064    -0.54249
   66    63 S   OH   _O37    81     1.45127   109.83277   167.07196
   67    66 S   HO   _H10    82     0.97472   104.17011   -56.59139
   68    64 S   CA   _C22    53     1.39484   120.66536   179.00162
   69    68 S   CA   _C23    54     1.40599   118.71479     0.69886
   70    68 S   OS   _O43    70     1.37142   124.72783  -178.88092
   71    69 S   CA   _C5_    55     1.41337   122.19913     0.66940
   72    69 S   CO4  _C24    63     1.47304   117.56518  -179.85735
   73    72 S   O    _O41    64     1.21826   123.99539   -74.95074
   74    70 S   CT   _C26    71     1.42230   117.49865    -1.05962
   75    74 S   HC   _H18    72     1.09428   107.72989  -179.50941
   76    74 S   HC   _H19    73     1.09492   111.12156    62.79521
   77    74 S   HC   _H20    74     1.09495   111.15316   -61.79053
   78    62 S   CA   _C6_    56     1.40825   120.99173   -10.95612
   79    71 S   CT   _C4_    59     1.50772   120.60982   177.56554
   80    79 S   HC   _H4_    60     1.09498   110.80828  -137.61241
   81    79 S   HC   _H5_    61     1.09404   112.54274   -20.18779
   82    79 S   HC   _H6_    62     1.09427   110.17717   100.55451
   83    72 S   OS   _O42    65     1.35611   107.43084   104.20153
   84    83 S   CT   _C25    66     1.42988   114.82126  -179.51746
   85    84 S   HC   _H15    67     1.09326   108.12778  -179.82754
   86    84 S   HC   _H16    68     1.09428   110.29455    61.45008
   87    84 S   HC   _H17    69     1.09430   110.29159   -61.12012
  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  11   5   4   3
  17   2   1   1  13   6   5  14   6   5   6   9   4   3   2   1
   1  11   6  10   4  11  11   9   3  10   4   5   2   8   2   8
   4   1   1  12  12   6   8   8   2   3   2   1   1   4   3   2
   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    63    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    60    63    40    41    42    66    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    52    63    40    41    42    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    66    67    43    46    44    50    51    52    55    60    61    63  
   42    66    43    50    60    63  
   66    43    50    60    63  
   46    47    48    49    44    63  
   45    50    51    52    53    54    60    63    66  
   50    51    52    63  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    60    61    63    66    67  
   52    53    54    60    63    66  
   53    54    55    58    78    56    57    60    63    66  
   54    55    56    63  
   55    58    59    62    71    78    56    57    60    61    63  
   58    59    62    64    78    56    57    60    61    63    66  
   57    79    60    58    62    64    69    71    78  
   62    71    78  
   59    62    64    65    68    71    78    60    61    63  
   62    64    78    60  
   61    63    66    67    62  
   63    66  
   64    65    68    69    71    78    79    70  
   66    67  
   65    68    69    71    78    72    70    74  
   68    69    78    70  
   67  
    0  
   69    71    78    79    72    73    83    70    74    75    76    77  
   71    78    79    80    81    82    72    73    83    84    70    74  
   74    75    76    77    71    72  
   78    79    80    81    82    72    73    83  
   73    83    84    85    86    87    78    79  
   83    84  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.316400   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   0.348900   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   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    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    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   570.000  1.307
   50    52   270.000  1.512
   50    63   268.000  1.529
   52    53   745.000  1.250
   52    54   465.000  1.376
   54    55   380.000  1.444
   54    56   320.000  1.462
   55    58   549.000  1.340
   55    60   320.000  1.462
   58    59   340.000  1.080
   58    62   320.000  1.460
   62    64   469.000  1.400
   62    78   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    71   469.000  1.400
   69    72   310.000  1.470
   71    78   469.000  1.400
   71    79   317.000  1.510
   78    56   310.000  1.470
   56    57   570.000  1.229
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    73   570.000  1.229
   72    83   214.000  1.327
   83    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   60    61   570.000  1.229
   60    63   317.000  1.522
   63    40   268.000  1.529
   63    66   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   66    67   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    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    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    63    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    90.00000  108.74100
   44    50    52    70.00000  109.06800
   44    50    63    63.00000  111.10000
   50    44    45    80.00000  120.40000
   50    52    53    85.00000  112.85300
   50    52    54    65.00000  122.18000
   50    63    60    63.00000  111.10000
   50    63    40    58.35000  112.70000
   50    63    66    50.00000  109.50000
   52    50    51    85.00000  110.90400
   52    54    55    70.00000  117.34000
   52    54    56    60.00000  125.92000
   54    52    53    65.00000  137.10300
   54    55    58    70.00000  123.01800
   54    55    60    65.00000  118.96000
   54    56    78    65.00000  117.02400
   54    56    57    80.00000  123.72100
   55    58    59    35.00000  120.00000
   55    58    62    60.00000  123.20500
   55    60    61    80.00000  123.72100
   55    60    63    65.00000  118.62400
   58    62    64    60.00000  120.93500
   58    62    78    60.00000  120.93500
   62    58    59    40.00000  117.26300
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    78    71    63.00000  120.00000
   62    78    56    60.00000  119.52600
   64    68    69    63.00000  120.00000
   64    68    70    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    69    72    60.00000  119.52600
   68    70    74    75.00000  111.00000
   69    71    78    63.00000  120.00000
   69    71    79    70.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    83    81.00000  111.40000
   71    78    56    60.00000  119.52600
   71    79    80    35.00000  109.50000
   71    79    81    35.00000  109.50000
   71    79    82    35.00000  109.50000
   78    62    64    63.00000  120.00000
   78    56    57    75.00000  123.78400
   56    54    55    65.00000  118.96000
   79    71    78    70.00000  120.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    69    71    60.00000  119.52600
   72    83    84    83.00000  116.90000
   83    72    73    83.00000  123.40000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    68    69    70.00000  120.00000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   60    55    58    65.00000  118.96000
   60    63    40    63.00000  111.10000
   60    63    66    90.00000  109.61100
   63    50    51    50.00000  109.50000
   63    50    52    70.00000  112.02700
   63    60    61    80.00000  120.40000
   63    40    41    50.00000  109.50000
   63    40    42    37.50000  110.70000
   63    66    67    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   66    63    40    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    63   0.56750  1.0 1.0
   37    33    40    63  -0.07550 -1.0 2.0
   37    33    40    63   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.55300  1.0 1.0
   37    44    50    51   1.25850 -1.0 2.0
   37    44    50    51  -0.23600  1.0 3.0
   37    44    50    52   0.65300  1.0 1.0
   37    44    50    52  -0.03850 -1.0 2.0
   37    44    50    52   0.33900  1.0 3.0
   37    44   -50    63   0.60050  1.0 1.0
   37    44   -50    63   0.05600 -1.0 2.0
   37    44   -50    63   0.26150  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    52    53   0.09700  1.0 1.0
   44    50    52    53   0.15600 -1.0 2.0
   44    50    52    53  -0.50800  1.0 3.0
   44    50    52    54  -0.51250  1.0 1.0
   44    50    52    54  -0.88800 -1.0 2.0
   44    50    52    54   0.08850  1.0 3.0
   44    50    63    60   0.11950  1.0 1.0
   44    50    63    60   0.20300 -1.0 2.0
   44    50    63    60  -0.70800  1.0 3.0
   44    50    63    40  -0.95700  1.0 1.0
   44    50    63    40  -0.18200 -1.0 2.0
   44    50    63    40   0.29450  1.0 3.0
   44    50    63    66  -0.09450  1.0 1.0
   44    50    63    66  -1.12950 -1.0 2.0
   44    50    63    66   0.54000  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    52   0.30150 -1.0 2.0
   45    44    50    63   0.30150 -1.0 2.0
   50    52    54    55   7.00000 -1.0 2.0
   50    52    54    56   7.00000 -1.0 2.0
   50    63   -40    33   0.56750  1.0 1.0
   50    63   -40    33  -0.07550 -1.0 2.0
   50    63   -40    33   0.20000  1.0 3.0
   50    63    40    41   0.62750  1.0 1.0
   50    63    40    41  -0.30950 -1.0 2.0
   50    63    40    41   0.27300  1.0 3.0
   50    63    40    42   0.15000  1.0 3.0
   50    63    66    67  -0.11600  1.0 1.0
   50    63    66    67  -0.09450 -1.0 2.0
   50    63    66    67   0.21250  1.0 3.0
   51    50    52    53   0.09700  1.0 1.0
   51    50    52    53   0.15600 -1.0 2.0
   51    50    52    53  -0.50800  1.0 3.0
   51    50    52    54   0.39000  1.0 1.0
   51    50    52    54  -0.05800 -1.0 2.0
   51    50    52    54  -0.55150  1.0 3.0
   51    50    63    60  -0.09450  1.0 1.0
   51    50    63    60  -1.12950 -1.0 2.0
   51    50    63    60   0.54000  1.0 3.0
   51    50    63    40   0.62750  1.0 1.0
   51    50    63    40  -0.30950 -1.0 2.0
   51    50    63    40   0.27300  1.0 3.0
   51    50    63    66   3.69350  1.0 1.0
   51    50    63    66  -1.82950 -1.0 2.0
   52    50    63    60  -0.98800  1.0 1.0
   52    50    63    60   0.48800 -1.0 2.0
   52    50    63    60   0.76800  1.0 3.0
   52    50    63    40   0.34400  1.0 1.0
   52    50    63    40   0.09450 -1.0 2.0
   52    50    63    40   0.11100  1.0 3.0
   52    50    63    66   1.05650  1.0 1.0
   52    50    63    66   0.15600 -1.0 2.0
   52    50    63    66   0.53150  1.0 3.0
   52    54    55    58   0.28850  1.0 1.0
   52    54    55    58   2.61350 -1.0 2.0
   52    54    55    58   0.78400  1.0 3.0
   52    54   -55    60  -0.18600  1.0 3.0
   52    54    56    78  -1.65800  1.0 1.0
   52    54    56    78   0.77650 -1.0 2.0
   52    54    56    57   1.00000 -1.0 2.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    55    58    59   7.00000 -1.0 2.0
   54    55    58    62   7.00000 -1.0 2.0
   54    55    60    61   1.00000 -1.0 2.0
   54    55    60    63  -0.33500  1.0 1.0
   54    55    60    63   1.06600 -1.0 2.0
   54    55    60    63  -0.14000  1.0 3.0
   55    54    56    78  -1.65800  1.0 1.0
   55    54    56    78   0.77650 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    58    62    64   0.15800  1.0 1.0
   55    58    62    64   1.85350 -1.0 2.0
   55    58    62    64  -0.48700  1.0 3.0
   55    58   -62    78   0.15800  1.0 1.0
   55    58   -62    78   1.85350 -1.0 2.0
   55    58   -62    78  -0.48700  1.0 3.0
   55    60   -63    50   0.65300  1.0 1.0
   55    60   -63    50  -0.03850 -1.0 2.0
   55    60   -63    50   0.33900  1.0 3.0
   55    60    63    40   0.65300  1.0 1.0
   55    60    63    40  -0.03850 -1.0 2.0
   55    60    63    40   0.33900  1.0 3.0
   55    60    63    66   0.65300  1.0 1.0
   55    60    63    66  -0.03850 -1.0 2.0
   55    60    63    66   0.33900  1.0 3.0
   58    55    60    61   1.00000 -1.0 2.0
   58    55    60    63  -0.33500  1.0 1.0
   58    55    60    63   1.06600 -1.0 2.0
   58    55    60    63  -0.14000  1.0 3.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    78    71   3.62500 -1.0 2.0
   58    62    78    56   3.62500 -1.0 2.0
   59    58    62    64   0.56550  1.0 3.0
   59    58    62    78   0.56550  1.0 3.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    70   3.62500 -1.0 2.0
   62    78   -56    54  -0.11500  1.0 1.0
   62    78   -56    54   1.10450 -1.0 2.0
   62    78   -56    54  -0.48050  1.0 3.0
   62    78    56    57   1.05000 -1.0 2.0
   64    62    78    71   3.62500 -1.0 2.0
   64    62    78    56   3.62500 -1.0 2.0
   64    68   -69    71   3.62500 -1.0 2.0
   64    68    69    72   3.62500 -1.0 2.0
   64    68    70    74   1.63200 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    69    71    78   3.62500 -1.0 2.0
   68    69    71    79   3.62500 -1.0 2.0
   68    69    72    73   1.05000 -1.0 2.0
   68    69    72    83   0.98750 -1.0 2.0
   68    70    74    75   0.08050  1.0 3.0
   68    70    74    76   0.08050  1.0 3.0
   68    70    74    77   0.08050  1.0 3.0
   69    68    70    74   1.63200 -1.0 2.0
   69    71   -78    62   3.62500 -1.0 2.0
   69    71    78    56   3.62500 -1.0 2.0
   69    71    79    80   0.00000  1.0 1.0
   69    71    79    81   0.00000  1.0 1.0
   69    71    79    82   0.00000  1.0 1.0
   69    72    83    84   0.59950  1.0 1.0
   69    72    83    84   3.24850 -1.0 2.0
   71    69    72    73   1.05000 -1.0 2.0
   71    69    72    83   0.98750 -1.0 2.0
   71    78    56    54  -0.11500  1.0 1.0
   71    78    56    54   1.10450 -1.0 2.0
   71    78    56    54  -0.48050  1.0 3.0
   71    78    56    57   1.05000 -1.0 2.0
   78    62    64    65   3.62500 -1.0 2.0
   78    62   -64    68   3.62500 -1.0 2.0
   78    71    79    80   0.00000  1.0 1.0
   78    71    79    81   0.00000  1.0 1.0
   78    71    79    82   0.00000  1.0 1.0
   56    54   -55    58  -0.18600  1.0 3.0
   56    54    55    60   1.08500 -1.0 2.0
   79    71    78    62   3.62500 -1.0 2.0
   79    71    78    56   3.62500 -1.0 2.0
   72    69    71    78   3.62500 -1.0 2.0
   72    69    71    79   3.62500 -1.0 2.0
   72    83    84    85   0.08050  1.0 3.0
   72    83    84    86   0.08050  1.0 3.0
   72    83    84    87   0.08050  1.0 3.0
   73    72    83    84   3.00000 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    62   7.00000 -1.0 2.0
   60    63    40    33  -0.95700  1.0 1.0
   60    63    40    33  -0.18200 -1.0 2.0
   60    63    40    33   0.29450  1.0 3.0
   60    63    40    41  -0.09450  1.0 1.0
   60    63    40    41  -1.12950 -1.0 2.0
   60    63    40    41   0.54000  1.0 3.0
   60    63    40    42  -0.11250  1.0 3.0
   60    63    66    67   0.91850  1.0 1.0
   60    63    66    67   0.57950  1.0 3.0
   61    60    63    50   0.30150 -1.0 2.0
   61    60    63    40   0.30150 -1.0 2.0
   61    60    63    66   0.30150 -1.0 2.0
   63    50    52    53   0.09700  1.0 1.0
   63    50    52    53   0.15600 -1.0 2.0
   63    50    52    53  -0.50800  1.0 3.0
   63    50   -52    54   0.09850  1.0 1.0
   63    50   -52    54   0.15250 -1.0 2.0
   63    50   -52    54  -0.50650  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    63    66    67  -0.11600  1.0 1.0
   40    63    66    67  -0.09450 -1.0 2.0
   40    63    66    67   0.21250  1.0 3.0
   66    63    40    33   0.86500  1.0 1.0
   66    63    40    33  -0.17500 -1.0 2.0
   66    63    40    33   0.20800  1.0 3.0
   66    63    40    41   3.69350  1.0 1.0
   66    63    40    41  -1.82950 -1.0 2.0
   66    63    40    42   0.23400  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    63   0.62750  1.0 1.0
   43    33    40    63  -0.30950 -1.0 2.0
   43    33    40    63   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    50    44    45  10.50000 -1.0 2.0
   50    53    52    54   1.10000 -1.0 2.0
   55    56    54    52   1.10000 -1.0 2.0
   54    60    55    58   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   64    78    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   69    70    68    64   4.00000 -1.0 2.0
   71    72    69    68   4.00000 -1.0 2.0
   78    79    71    69   4.00000 -1.0 2.0
   71    56    78    62   4.00000 -1.0 2.0
   54    78    56    57  10.50000 -1.0 2.0
   69    83    72    73  10.50000 -1.0 2.0
   55    63    60    61  10.50000 -1.0 2.0
END
