* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    170    260     507
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02046    92.52276   -64.90476
    3     1 S   H    _H1_     3     1.02060    87.97891    43.74106
    4     1 S   H    _H2_     4     1.02109    33.01289   173.73747
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   OS   _O35    36     1.66522    98.54600   159.97058
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C15    37     1.42350   114.00265    80.03651
   38    37 S   HC   _H6_    38     1.09402   108.40470   -41.36041
   39    37 S   CT   _C14    39     1.52860   108.43730    79.97446
   40    39 S   HC   _H21    40     1.09471   112.51103   -33.79737
   41    39 S   HC   _H22    41     1.09673   108.82203  -154.25705
   42    39 S   CT   _C13    42     1.53738   105.62921    89.34208
   43    42 S   HC   _H5_    43     1.09644   109.71150   128.39391
   44    42 S   CT   _C12    44     1.54094   106.60699     5.75221
   45    44 S   HC   _H4_    45     1.09993   109.53667   -97.04592
   46    42 S   OH   _O36    92     1.42193   109.60825  -113.47593
   47    46 S   HO   _H33    93     0.97165   106.70521   -60.00212
   48    37 S   CT   _C16    46     1.53124   111.99723  -166.48291
   49    48 S   HC   _H7_    47     1.09911   108.57539   169.85968
   50    44 S   CM   _C11    67     1.49273   112.37254   143.65739
   51    50 S   HC   _H20    68     1.08678   116.58348   -59.28977
   52    48 S   CT   _C17    48     1.52425   114.10078    48.77091
   53    52 S   HC   _H23    49     1.09529   108.99392   -61.92849
   54    52 S   HC   _H24    50     1.09472   109.25492  -178.60450
   55    50 S   CM   _C10    69     1.34103   123.78646   120.49511
   56    55 S   HC   _H19    70     1.08703   119.36714     0.19881
   57    52 S   CM   _C18    51     1.49855   111.29391    61.12271
   58    57 S   HC   _H25    52     1.08730   116.80883    29.08362
   59    55 S   CT   _C9_    71     1.50323   123.60949  -179.93147
   60    59 S   HC   _H3_    72     1.09697   111.40736     0.05595
   61    57 S   CM   _C19    53     1.34102   123.71148  -151.70200
   62    61 S   HC   _H26    54     1.08707   119.44061  -179.39672
   63    59 S   CT   _C8_    73     1.53409   112.88876  -123.43115
   64    63 S   HC   _H17    74     1.09820   109.80283  -179.97202
   65    63 S   HC   _H18    75     1.09704   108.06610   -65.47938
   66    59 S   OS   _O37    89     1.42852   108.33223   117.67628
   67    61 S   CT   _C20    55     1.50136   123.80748    -0.06853
   68    67 S   HC   _H27    56     1.09709   108.38458  -119.93023
   69    67 S   HC   _H28    57     1.09695   110.52169    -3.32849
   70    63 S   CT   _C7_    76     1.53073   113.26989    56.70433
   71    70 S   HC   _H15    77     1.09671   109.70295   -53.94269
   72    70 S   HC   _H16    78     1.09644   109.60709    62.96167
   73    66 S   OH   _O38    90     1.45165   104.88489   -79.97047
   74    73 S   HO   _H34    91     0.97272    95.78108  -180.00000
   75    67 S   CT   _C21    58     1.53162   111.16711   119.39835
   76    75 S   HC   _H29    59     1.09757   109.22697    59.98432
   77    75 S   HC   _H30    60     1.09761   110.02117   -56.60987
   78    70 S   CT   _C6_    79     1.53207   113.40817  -176.75454
   79    78 S   HC   _H13    80     1.09774   108.07058   -56.10111
   80    78 S   HC   _H14    81     1.09738   109.59080    59.71436
   81    75 S   CT   _C22    61     1.52616   112.28044  -179.73459
   82    81 S   HC   _H31    62     1.09718   109.47632    55.09376
   83    81 S   HC   _H32    63     1.09669   108.40072   -61.00099
   84    78 S   CT   _C5_    82     1.52889   113.52506  -177.09728
   85    84 S   HC   _H11    83     1.09507   110.39388   -58.88085
   86    84 S   HC   _H12    84     1.09553   109.89125    59.40247
   87    81 S   CO3  _C23    64     1.53186   116.60874   179.26832
   88    87 S   O2Z  _O34    65     1.26119   116.45495   175.54623
   89    87 S   O2Z  _O33    66     1.26595   114.22708    -5.17593
   90    84 S   CT   _C4_    85     1.52181   111.36563  -179.53860
   91    90 S   HC   _H8_    86     1.09447   110.19390   -58.24589
   92    90 S   HC   _H9_    87     1.09399   111.00933    61.46579
   93    90 S   HC   _H10    88     1.09465   110.96474  -177.98724
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  16   8  12   6   5  11   6  14   7   3   1  10
   5   8   3   7   4   3   9   4   7   3  11   6   8   4  11   6
   5   3   9   5   4   9   5   4   1   1   8   5   4   9   5   4
   5   4   3   6   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44    48    49    52  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    48    49    52    53    54    57    50    46  
   39    40    41    42    44    48    49    52  
   40    41    42    43    44    45    48    49    52    50    46    47  
   41    42    43    44    48    46  
   42    43    44    48    46  
   43    44    45    48    49    52    50    51    55    46    47  
   44    45    48    50    46    47  
   45    48    49    52    53    54    57    50    51    55    56    59    46    47  
   48    49    52    50    51    55    46  
   47    48    50  
    0  
   49    52    53    54    57    58    61    50    51    55  
   52    53    54    57    50  
   51    55    56    59    60    63    66    52  
   55    56    59  
   53    54    57    58    61    62    67  
   54    57    58    61  
   57    58    61  
   56    59    60    63    64    65    70    66    73  
   59    60    63    66  
   58    61    62    67    68    69    75  
   61    62    67  
   60    63    64    65    70    71    72    78    66    73    74  
   63    64    65    70    66    73  
   62    67    68    69    75    76    77    81  
   67    68    69    75  
   64    65    70    71    72    78    79    80    84    66    73  
   65    70    71    72    78    66  
   70    71    72    78    66  
   73    74    70  
   68    69    75    76    77    81    82    83    87  
   69    75    76    77    81  
   75    76    77    81  
   71    72    78    79    80    84    85    86    90  
   72    78    79    80    84  
   78    79    80    84  
   74  
    0  
   76    77    81    82    83    87    88    89  
   77    81    82    83    87  
   81    82    83    87  
   79    80    84    85    86    90    91    92    93  
   80    84    85    86    90  
   84    85    86    90  
   82    83    87    88    89  
   83    87    88    89  
   87    88    89  
   85    86    90    91    92    93  
   86    90    91    92    93  
   90    91    92    93  
   88    89  
   89  
    0  
   91    92    93  
   92    93  
   93  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    48   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   317.000  1.510
   48    49   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    58   340.000  1.080
   57    61   549.000  1.340
   61    62   340.000  1.080
   61    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    59   317.000  1.510
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   66    73   295.000  1.451
   73    74   553.000  0.945
   46    47   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    50.00000  109.50000
   33    37    48    50.00000  109.50000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    42    58.35000  112.70000
   37    48    44    58.35000  112.70000
   37    48    49    37.50000  110.70000
   37    48    52    58.35000  112.70000
   39    37    38    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    58.35000  112.70000
   39    42    46    50.00000  109.50000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    44    45    37.50000  110.70000
   42    44    48    58.35000  112.70000
   42    44    50    70.00000  112.02700
   42    46    47    55.00000  108.50000
   44    42    43    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    50    51    35.00000  117.00000
   44    50    55    70.00000  124.00000
   48    37    38    37.50000  110.70000
   48    37    39    58.35000  112.70000
   48    44    45    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    70.00000  112.02700
   52    48    49    37.50000  110.70000
   52    57    58    35.00000  117.00000
   52    57    61    70.00000  124.00000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    61    62    35.00000  120.00000
   57    61    67    70.00000  124.00000
   61    57    58    35.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    75    70.00000  112.02700
   67    61    62    35.00000  117.00000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    81    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    87    70.00000  109.69300
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    87    88    70.00000  117.00000
   81    87    89    70.00000  117.00000
   83    81    82    33.00000  107.80000
   87    81    82    35.00000  109.50000
   87    81    83    35.00000  109.50000
   89    87    88    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    70.00000  112.02700
   50    55    56    35.00000  120.00000
   50    55    59    70.00000  124.00000
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    63    70.00000  112.02700
   55    59    66    85.00000  110.90400
   59    55    56    35.00000  117.00000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    70    58.35000  112.70000
   59    66    73   125.00000  106.88800
   63    59    60    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    78    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    84    58.35000  112.70000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    90    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    37.50000  110.70000
   84    90    93    37.50000  110.70000
   86    84    85    33.00000  107.80000
   90    84    85    37.50000  110.70000
   90    84    86    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    63    50.00000  109.50000
   66    73    74    90.00000  100.86400
   46    42    43    35.00000  109.50000
   46    42    44    50.00000  109.50000
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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    48   0.37500  1.0 3.0
   33    37    39    40   0.23400  1.0 3.0
   33    37    39    41   0.23400  1.0 3.0
   33    37    39    42   0.62750  1.0 1.0
   33    37    39    42  -0.30950 -1.0 2.0
   33    37    39    42   0.27300  1.0 3.0
   33    37    48    44   0.62750  1.0 1.0
   33    37    48    44  -0.30950 -1.0 2.0
   33    37    48    44   0.27300  1.0 3.0
   33    37    48    49   0.23400  1.0 3.0
   33    37    48    52   0.62750  1.0 1.0
   33    37    48    52  -0.30950 -1.0 2.0
   33    37    48    52   0.27300  1.0 3.0
   37    39    42    43   0.15000  1.0 3.0
   37    39   -42    44   0.56750  1.0 1.0
   37    39   -42    44  -0.07550 -1.0 2.0
   37    39   -42    44   0.20000  1.0 3.0
   37    39    42    46   0.86500  1.0 1.0
   37    39    42    46  -0.17500 -1.0 2.0
   37    39    42    46   0.20800  1.0 3.0
   37    48    52    53   0.15000  1.0 3.0
   37    48    52    54   0.15000  1.0 3.0
   37    48    52    57   0.34400  1.0 1.0
   37    48    52    57   0.09450 -1.0 2.0
   37    48    52    57   0.11100  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    42   0.15000  1.0 3.0
   38    37    48    44   0.15000  1.0 3.0
   38    37    48    49   0.15000  1.0 3.0
   38    37    48    52   0.15000  1.0 3.0
   39    37   -48    44   0.56750  1.0 1.0
   39    37   -48    44  -0.07550 -1.0 2.0
   39    37   -48    44   0.20000  1.0 3.0
   39    37    48    49   0.15000  1.0 3.0
   39    37    48    52   0.56750  1.0 1.0
   39    37    48    52  -0.07550 -1.0 2.0
   39    37    48    52   0.20000  1.0 3.0
   39    42    44    45   0.15000  1.0 3.0
   39    42   -44    48   0.56750  1.0 1.0
   39    42   -44    48  -0.07550 -1.0 2.0
   39    42   -44    48   0.20000  1.0 3.0
   39    42    44    50   0.34400  1.0 1.0
   39    42    44    50   0.09450 -1.0 2.0
   39    42    44    50   0.11100  1.0 3.0
   39    42    46    47  -0.11600  1.0 1.0
   39    42    46    47  -0.09450 -1.0 2.0
   39    42    46    47   0.21250  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    46   0.23400  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    46   0.23400  1.0 3.0
   42    44   -48    37   0.56750  1.0 1.0
   42    44   -48    37  -0.07550 -1.0 2.0
   42    44   -48    37   0.20000  1.0 3.0
   42    44    48    49   0.15000  1.0 3.0
   42    44    48    52   0.56750  1.0 1.0
   42    44    48    52  -0.07550 -1.0 2.0
   42    44    48    52   0.20000  1.0 3.0
   42    44    50    51   0.00000  1.0 1.0
   42    44    50    55   0.09850  1.0 1.0
   42    44    50    55   0.15250 -1.0 2.0
   42    44    50    55  -0.50650  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    48   0.15000  1.0 3.0
   43    42    44    50   0.15000  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47  -0.11600  1.0 1.0
   44    42    46    47  -0.09450 -1.0 2.0
   44    42    46    47   0.21250  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    57   0.34400  1.0 1.0
   44    48    52    57   0.09450 -1.0 2.0
   44    48    52    57   0.11100  1.0 3.0
   44    50    55    56   7.00000 -1.0 2.0
   44    50    55    59   7.00000 -1.0 2.0
   45    44    48    37   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    55   0.00000  1.0 1.0
   48    37    39    40   0.15000  1.0 3.0
   48    37    39    41   0.15000  1.0 3.0
   48    37   -39    42   0.56750  1.0 1.0
   48    37   -39    42  -0.07550 -1.0 2.0
   48    37   -39    42   0.20000  1.0 3.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    55   0.09850  1.0 1.0
   48    44    50    55   0.15250 -1.0 2.0
   48    44    50    55  -0.50650  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    61   0.09850  1.0 1.0
   48    52    57    61   0.15250 -1.0 2.0
   48    52    57    61  -0.50650  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   52    57    61    62   7.00000 -1.0 2.0
   52    57    61    67   7.00000 -1.0 2.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    61   0.00000  1.0 1.0
   54    52    57    58   0.33100  1.0 3.0
   54    52    57    61   0.00000  1.0 1.0
   57    61    67    68   0.00000  1.0 1.0
   57    61    67    69   0.00000  1.0 1.0
   57    61    67    75   0.09850  1.0 1.0
   57    61    67    75   0.15250 -1.0 2.0
   57    61    67    75  -0.50650  1.0 3.0
   58    57    61    62   7.00000 -1.0 2.0
   58    57    61    67   7.00000 -1.0 2.0
   61    67    75    76   0.15000  1.0 3.0
   61    67    75    77   0.15000  1.0 3.0
   61    67    75    81   0.34400  1.0 1.0
   61    67    75    81   0.09450 -1.0 2.0
   61    67    75    81   0.11100  1.0 3.0
   62    61    67    68   0.33100  1.0 3.0
   62    61    67    69   0.33100  1.0 3.0
   62    61    67    75   0.00000  1.0 1.0
   67    75    81    82   0.15000  1.0 3.0
   67    75    81    83   0.15000  1.0 3.0
   67    75    81    87  -1.63150  1.0 1.0
   67    75    81    87  -0.43550 -1.0 2.0
   67    75    81    87   0.24500  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    81   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    81   0.15000  1.0 3.0
   75    81    87    88   0.41150 -1.0 2.0
   75    81    87    89   0.41150 -1.0 2.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    87  -0.11250  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    87  -0.11250  1.0 3.0
   82    81    87    88   0.00000  1.0 1.0
   82    81    87    89   0.00000  1.0 1.0
   83    81    87    88   0.00000  1.0 1.0
   83    81    87    89   0.00000  1.0 1.0
   50    44    48    37   0.34400  1.0 1.0
   50    44    48    37   0.09450 -1.0 2.0
   50    44    48    37   0.11100  1.0 3.0
   50    44    48    49   0.15000  1.0 3.0
   50    44    48    52   0.34400  1.0 1.0
   50    44    48    52   0.09450 -1.0 2.0
   50    44    48    52   0.11100  1.0 3.0
   50    55    59    60   0.00000  1.0 1.0
   50    55    59    63   0.09850  1.0 1.0
   50    55    59    63   0.15250 -1.0 2.0
   50    55    59    63  -0.50650  1.0 3.0
   50    55    59    66   0.39000  1.0 1.0
   50    55    59    66  -0.05800 -1.0 2.0
   50    55    59    66  -0.55150  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    59   7.00000 -1.0 2.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59    63    70   0.34400  1.0 1.0
   55    59    63    70   0.09450 -1.0 2.0
   55    59    63    70   0.11100  1.0 3.0
   55    59    66    73   0.37500  1.0 3.0
   56    55    59    60   0.33100  1.0 3.0
   56    55    59    63   0.00000  1.0 1.0
   56    55    59    66   0.00000  1.0 1.0
   59    63    70    71   0.15000  1.0 3.0
   59    63    70    72   0.15000  1.0 3.0
   59    63    70    78   0.56750  1.0 1.0
   59    63    70    78  -0.07550 -1.0 2.0
   59    63    70    78   0.20000  1.0 3.0
   59    66    73    74  -2.50000 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    70   0.15000  1.0 3.0
   60    59    66    73   0.37500  1.0 3.0
   63    59    66    73   0.37500  1.0 3.0
   63    70    78    79   0.15000  1.0 3.0
   63    70    78    80   0.15000  1.0 3.0
   63    70    78    84   0.56750  1.0 1.0
   63    70    78    84  -0.07550 -1.0 2.0
   63    70    78    84   0.20000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    78   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    78   0.15000  1.0 3.0
   70    78    84    85   0.15000  1.0 3.0
   70    78    84    86   0.15000  1.0 3.0
   70    78    84    90   0.56750  1.0 1.0
   70    78    84    90  -0.07550 -1.0 2.0
   70    78    84    90   0.20000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    84   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    80   0.15000  1.0 3.0
   72    70    78    84   0.15000  1.0 3.0
   78    84    90    91   0.15000  1.0 3.0
   78    84    90    92   0.15000  1.0 3.0
   78    84    90    93   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    90   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    90   0.15000  1.0 3.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    92   0.15000  1.0 3.0
   85    84    90    93   0.15000  1.0 3.0
   86    84    90    91   0.15000  1.0 3.0
   86    84    90    92   0.15000  1.0 3.0
   86    84    90    93   0.15000  1.0 3.0
   66    59    63    64   0.23400  1.0 3.0
   66    59    63    65   0.23400  1.0 3.0
   66    59    63    70   0.62750  1.0 1.0
   66    59    63    70  -0.30950 -1.0 2.0
   66    59    63    70   0.27300  1.0 3.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    48   0.86500  1.0 1.0
   46    42    44    48  -0.17500 -1.0 2.0
   46    42    44    48   0.20800  1.0 3.0
   46    42    44    50   1.05650  1.0 1.0
   46    42    44    50   0.15600 -1.0 2.0
   46    42    44    50   0.53150  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
   52    58    57    61  15.00000 -1.0 2.0
   67    62    61    57  15.00000 -1.0 2.0
   88    81    87    89  10.50000 -1.0 2.0
   44    51    50    55  15.00000 -1.0 2.0
   59    56    55    50  15.00000 -1.0 2.0
END
