* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    168    266     495
    1     0 S   NP   _N1_     1    30.00030    92.76962   -25.80004
    2     1 S   H    _HN1     2     1.02764   112.89591  -106.31065
    3     1 S   H    _H1_     3     1.02944    98.32815     7.83652
    4     1 S   H    _H2_     4     1.02850     8.85574  -162.34531
    5     1 S   CT   _CA1     5     1.50074   113.49493   124.59746
    6     5 S   HC   _HA1     6     1.09564   105.29425    68.62161
    7     5 S   CO3  _C1_     7     1.53836   112.20645   -51.83459
    8     7 S   O2Z  _O11     8     1.26385   114.99335   -48.02146
    9     7 S   O2Z  _O12     9     1.26221   114.92969   131.19542
   10     5 S   CT   _CB1    10     1.53089   107.52804  -173.25989
   11    10 S   HC   HB11    11     1.09819   109.68043   -48.85740
   12    10 S   HC   HB12    12     1.09793   110.30637    67.85980
   13    10 S   CT   _CG1    13     1.52992   112.47697  -169.87331
   14    13 S   HC   HG11    14     1.09593   110.53838   -59.87129
   15    13 S   HC   HG12    15     1.09646   109.93358    59.33110
   16    13 S   C    _CD1    16     1.51765   112.27772   179.94405
   17    16 S   O    _OE1    17     1.22734   123.32112     0.16551
   18    16 S   N    _N2_    18     1.38636   111.67610   179.76845
   19    18 S   H    _HN2    19     1.01593   119.04134     3.35077
   20    18 S   CT1  _CA2    20     1.46189   123.28971  -178.85312
   21    20 S   HC   _HA2    21     1.09740   109.25105    -0.72954
   22    20 S   C    _C2_    22     1.53411   108.90422  -116.38873
   23    22 S   O    _O2_    23     1.23046   122.22762  -148.88892
   24    20 S   CT   _CB2    32     1.53400   111.55188   120.85869
   25    24 S   HC   HB21    33     1.09581   110.09373    59.40049
   26    24 S   HC   HB22    34     1.09519   110.14447   178.47453
   27    22 S   N    _N3_    24     1.38312   113.65441    38.61878
   28    27 S   H    _HN3    25     1.01607   119.56264    -3.60261
   29    24 S   S    _SG2    35     1.82556   111.53525   -61.26754
   30    27 S   CT   _CA3    26     1.45294   123.17250   176.98286
   31    30 S   HC   HA31    27     1.09550   107.53957   -63.73842
   32    30 S   HC   HA32    28     1.09557   107.94586    52.68836
   33    29 S   CT   _C26    36     1.83096    99.08002  -177.53900
   34    33 S   F    F1__    37     1.36471   108.70554   -49.94858
   35    33 S   F    F2__    38     1.36470   108.42362    63.84163
   36    30 S   CO3  _C3_    29     1.52949   114.09114   174.66689
   37    36 S   O2Z  _O31    30     1.26376   116.04593    -0.47230
   38    36 S   O2Z  _O32    31     1.26425   114.42303   179.57942
   39    33 S   CA   _C22    39     1.50960   109.95008  -173.32315
   40    39 S   CA   _C23    40     1.39927   120.69258    97.49829
   41    40 S   HA   _H27    41     1.08757   120.46048     1.44157
   42    40 S   CA   _C24    42     1.39554   120.50983  -179.24879
   43    42 S   HA   _H28    43     1.08773   118.79838  -178.25763
   44    42 S   CA   _C25    44     1.39950   120.36197     1.45185
   45    44 S   CA   _C20    45     1.40713   119.83588     1.46834
   46    44 S   S    _S1_    59     1.79371   118.42471  -177.72187
   47    39 S   CA   _C21    46     1.40316   120.35628   -80.71074
   48    47 S   HA   _H26    47     1.08885   118.95023    -3.19365
   49    45 S   CM   _C10    48     1.48512   118.71324   178.36039
   50    49 S   CA   _C8_    49     1.48959   119.17417    40.35266
   51    49 S   CM   _C11    60     1.35326   122.80903  -129.19094
   52    51 S   HC   _H7_    61     1.09131   118.24193   175.34465
   53    50 S   CA   _C9_    50     1.40353   122.17309   139.45695
   54    53 S   HA   _H6_    51     1.08744   120.87809    -0.23656
   55    51 S   CT   _C12    62     1.50816   129.60228    -1.56047
   56    55 S   HC   _H8_    63     1.09681   108.01083  -125.79292
   57    55 S   HC   _H9_    64     1.08864   112.13970    -8.68268
   58    53 S   CA   _C4_    52     1.39543   120.44248  -179.83568
   59    58 S   HA   _H3_    53     1.08642   119.93178  -179.77883
   60    55 S   CT   _C13    65     1.52930   110.73245   113.65326
   61    60 S   HC   _H10    66     1.09600   112.36549   -65.97134
   62    60 S   HC   _H11    67     1.09622   110.07635    55.67391
   63    58 S   CA   _C5_    54     1.39268   120.11070     0.35277
   64    63 S   HA   _H4_    55     1.08640   119.97103  -179.92338
   65    60 S   NP   _N4_    68     1.51792   110.73644   173.53710
   66    65 S   H    _H12    69     1.02922   107.24546   -46.25506
   67    63 S   CA   _C6_    56     1.39484   120.08892     0.48214
   68    67 S   HA   _H5_    57     1.08754   118.86718   179.46222
   69    65 S   CT   _C14    70     1.51368   111.17762  -162.77089
   70    69 S   HC   _H13    71     1.09504   107.43828    56.16600
   71    69 S   HC   _H14    72     1.09613   107.78008   -61.89269
   72    50 S   CA   _C7_    58     1.40948   118.58128   -38.85895
   73    69 S   CT   _C15    73     1.52658   109.42141   175.88877
   74    73 S   HC   _H15    74     1.09683   107.76065   178.58445
   75    73 S   HC   _H16    75     1.09841   109.49056   -65.15191
   76    73 S   NTH0 _N5_    76     1.47264   111.99451    57.95772
   77    76 S   CT   _C16    77     1.47068   110.38285   -57.16180
   78    77 S   HC   _H17    78     1.09801   110.69327   -66.09996
   79    77 S   HC   _H18    79     1.09416   110.02327   175.31199
   80    76 S   CT   _C18    83     1.47304   109.58967   178.77843
   81    80 S   HC   _H21    84     1.09852   111.20005    63.48373
   82    80 S   HC   _H22    85     1.09857   109.14984   -52.56858
   83    65 S   CT   _C17    80     1.51315   113.65490    72.66769
   84    83 S   HC   _H19    81     1.09599   107.78318    60.06789
   85    83 S   HC   _H20    82     1.09270   108.05905   -58.31087
   86    80 S   CT   _C19    86     1.52836   113.99207  -172.39628
   87    86 S   HC   _H23    87     1.09475   111.09968    52.86038
   88    86 S   HC   _H24    88     1.09345   111.54206   -69.34134
   89    86 S   OH   _O33    89     1.42337   108.71032   171.90420
   90    89 S   HO   _H25    90     0.97210   107.19383   176.14278
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   7   3   9  10   8   4   1
  12  11  10   4   7   4   9   5   4   6   3  12   5   4   4   3
  14   8   2   1  11   6   5   1  11   4   3  13   9   5   4   8
   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49  
   41    42    43    44    45    47    48    46  
   42    43    44    47  
   43    44    45    47    49    72    46  
   44    45    46  
   45    47    48    49    50    67    72    46    51  
   47    48    49    50    53    72    46    51    52    55  
   47    49    50    53    63    67    68    72  
   48    49    50    51  
   49  
   50    53    54    58    67    72    51    52    55    56    57    60  
   53    54    58    59    63    67    68    72    51    52    55  
   52    55    56    57    60    61    62    65    53    72  
   55    56    57    60  
   54    58    59    63    64    67    72  
   58    59    63    72  
   56    57    60    61    62    65    66    69    83  
   57    60    61    62    65  
   60    61    62    65  
   59    63    64    67    68    72  
   63    64    67  
   61    62    65    66    69    70    71    73    77    83    84    85  
   62    65    66    69    83  
   65    66    69    83  
   64    67    68    72  
   67    68    72  
   66    69    70    71    73    74    75    76    77    78    79    83    84    85  
   69    70    71    73    77    83    84    85  
   68    72  
   72  
   70    71    73    74    75    76    77    83    84    85    80  
   71    73    74    75    76    83  
   73    74    75    76    83  
    0  
   74    75    76    77    78    79    83    80    81    82    86  
   75    76    77    80  
   76    77    80  
   77    78    79    83    84    85    80    81    82    86    87    88    89  
   78    79    83    84    85    80    81    82    86  
   79    83    84    85    80  
   83    84    85    80  
   81    82    86    87    88    89    90    83  
   82    86    87    88    89  
   86    87    88    89  
   84    85  
   85  
    0  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.6000   0.3550  -0.305000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   66   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   77   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    46   250.000  1.760
   45    47   469.000  1.400
   45    49   320.000  1.460
   47    48   367.000  1.080
   49    50   320.000  1.460
   49    51   549.000  1.340
   50    53   469.000  1.400
   50    72   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    46   250.000  1.760
   51    52   340.000  1.080
   51    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   367.000  1.471
   65    66   434.000  1.010
   65    69   367.000  1.471
   65    83   367.000  1.471
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   310.000  1.447
   76    77   310.000  1.447
   76    80   310.000  1.447
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   320.000  1.410
   89    90   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    45    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    46    85.00000  119.40000
   44    42    43    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    45    49    60.00000  120.93500
   44    46    72    90.00000  100.00000
   45    47    48    35.00000  120.00000
   45    49    50    60.00000  122.92000
   45    49    51    60.00000  123.20500
   47    39    40    63.00000  120.00000
   49    45    47    60.00000  120.93500
   49    50    53    60.00000  120.93500
   49    50    72    60.00000  120.93500
   49    51    52    35.00000  120.00000
   49    51    55    70.00000  124.00000
   50    53    54    35.00000  120.00000
   50    53    58    63.00000  120.00000
   50    72    67    63.00000  120.00000
   50    72    46    85.00000  119.40000
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    67    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    72    63.00000  120.00000
   67    63    64    35.00000  120.00000
   67    72    46    85.00000  119.40000
   72    50    53    63.00000  120.00000
   72    67    68    35.00000  120.00000
   46    44    45    85.00000  119.40000
   51    49    50    60.00000  123.20500
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    60    70.00000  112.02700
   55    51    52    35.00000  117.00000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    65    80.00000  111.20000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    66    35.00000  109.50000
   60    65    69    75.00000  113.01200
   60    65    83    75.00000  113.01200
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    73    80.00000  111.20000
   65    83    77    80.00000  111.20000
   65    83    84    35.00000  109.50000
   65    83    85    35.00000  109.50000
   69    65    66    35.00000  109.50000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    75.00000  113.73300
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    76    77    80.00000  110.40700
   73    76    80    80.00000  110.40700
   75    73    74    33.00000  107.80000
   76    73    74    50.00000  110.15500
   76    73    75    50.00000  110.15500
   76    77    78    50.00000  110.15500
   76    77    79    50.00000  110.15500
   76    77    83    75.00000  113.73300
   76    80    81    50.00000  110.15500
   76    80    82    50.00000  110.15500
   76    80    86    75.00000  113.73300
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   79    77    78    33.00000  107.80000
   83    65    66    35.00000  109.50000
   83    65    69    75.00000  113.01200
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   85    83    84    33.00000  107.80000
   80    76    77    80.00000  110.40700
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    50.00000  109.50000
   82    80    81    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   86    89    90    55.00000  108.50000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    45   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    45   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    46    72   0.25000 -1.0 2.0
   42    44    46    72   0.25000 -1.0 4.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -47    39   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    49    50  -0.01750  1.0 1.0
   44    45    49    50  -0.32000 -1.0 2.0
   44    45    49    50   0.00600  1.0 3.0
   44    45    49    51   0.15800  1.0 1.0
   44    45    49    51   1.85350 -1.0 2.0
   44    45    49    51  -0.48700  1.0 3.0
   45    44    46    72   0.25000 -1.0 2.0
   45    44    46    72   0.25000 -1.0 4.0
   45    49    50    53  -0.01750  1.0 1.0
   45    49    50    53  -0.32000 -1.0 2.0
   45    49    50    53   0.00600  1.0 3.0
   45    49   -50    72  -0.01750  1.0 1.0
   45    49   -50    72  -0.32000 -1.0 2.0
   45    49   -50    72   0.00600  1.0 3.0
   45    49    51    52   7.00000 -1.0 2.0
   45    49    51    55   7.00000 -1.0 2.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    45    49    50  -0.01750  1.0 1.0
   47    45    49    50  -0.32000 -1.0 2.0
   47    45    49    50   0.00600  1.0 3.0
   47    45    49    51   0.15800  1.0 1.0
   47    45    49    51   1.85350 -1.0 2.0
   47    45    49    51  -0.48700  1.0 3.0
   49    45    47    39   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    50    53    54   3.62500 -1.0 2.0
   49    50    53    58   3.62500 -1.0 2.0
   49    50    72    67   3.62500 -1.0 2.0
   49    50    72    46   3.62500 -1.0 2.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    57   0.00000  1.0 1.0
   49    51    55    60   0.09850  1.0 1.0
   49    51    55    60   0.15250 -1.0 2.0
   49    51    55    60  -0.50650  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    55   7.00000 -1.0 2.0
   50    53    58    59   3.62500 -1.0 2.0
   50    53    58    63   3.62500 -1.0 2.0
   50    72   -46    44   0.25000 -1.0 2.0
   50    72   -46    44   0.25000 -1.0 4.0
   53    50    72    67   3.62500 -1.0 2.0
   53    50    72    46   3.62500 -1.0 2.0
   53    58    63    64   3.62500 -1.0 2.0
   53    58   -63    67   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    63    67    68   3.62500 -1.0 2.0
   58    63    67    72   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    67   3.62500 -1.0 2.0
   63    67   -72    50   3.62500 -1.0 2.0
   63    67    72    46   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    72   3.62500 -1.0 2.0
   67    72    46    44   0.25000 -1.0 2.0
   67    72    46    44   0.25000 -1.0 4.0
   68    67    72    50   3.62500 -1.0 2.0
   68    67    72    46   3.62500 -1.0 2.0
   72    50    53    54   3.62500 -1.0 2.0
   72    50   -53    58   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44   -45    49   3.62500 -1.0 2.0
   51    49    50    53   0.15800  1.0 1.0
   51    49    50    53   1.85350 -1.0 2.0
   51    49    50    53  -0.48700  1.0 3.0
   51    49    50    72   0.15800  1.0 1.0
   51    49    50    72   1.85350 -1.0 2.0
   51    49    50    72  -0.48700  1.0 3.0
   51    55    60    61   0.15000  1.0 3.0
   51    55    60    62   0.15000  1.0 3.0
   51    55    60    65  -0.47300  1.0 1.0
   51    55    60    65   0.29700 -1.0 2.0
   51    55    60    65   0.83300  1.0 3.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    57   0.33100  1.0 3.0
   52    51    55    60   0.00000  1.0 1.0
   55    60    65    66   0.17350  1.0 3.0
   55    60    65    69   0.47100  1.0 1.0
   55    60    65    83   0.47100  1.0 1.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    65   0.19200  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    65   0.19200  1.0 3.0
   60    65    69    70   0.15000  1.0 3.0
   60    65    69    71   0.15000  1.0 3.0
   60    65    69    73   0.47100  1.0 1.0
   60    65    83    77   0.47100  1.0 1.0
   60    65    83    84   0.15000  1.0 3.0
   60    65    83    85   0.15000  1.0 3.0
   61    60    65    66   0.13050  1.0 3.0
   61    60    65    69   0.15000  1.0 3.0
   61    60    65    83   0.15000  1.0 3.0
   62    60    65    66   0.13050  1.0 3.0
   62    60    65    69   0.15000  1.0 3.0
   62    60    65    83   0.15000  1.0 3.0
   65    69    73    74   0.19200  1.0 3.0
   65    69    73    75   0.19200  1.0 3.0
   65    69    73    76   0.99100  1.0 1.0
   65    69    73    76  -1.80900 -1.0 2.0
   66    65    69    70   0.13050  1.0 3.0
   66    65    69    71   0.13050  1.0 3.0
   66    65    69    73   0.17350  1.0 3.0
   66    65    83    77   0.17350  1.0 3.0
   66    65    83    84   0.13050  1.0 3.0
   66    65    83    85   0.13050  1.0 3.0
   69    65    83    77   0.47100  1.0 1.0
   69    65    83    84   0.15000  1.0 3.0
   69    65    83    85   0.15000  1.0 3.0
   69    73   -76    77   1.99000  1.0 1.0
   69    73   -76    77   0.18800 -1.0 2.0
   69    73   -76    77   0.81350  1.0 3.0
   69    73    76    80   0.58650  1.0 1.0
   69    73    76    80   0.12600 -1.0 2.0
   69    73    76    80   0.33350  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    76   0.15000  1.0 3.0
   73    76    77    78   0.28000  1.0 3.0
   73    76    77    79   0.28000  1.0 3.0
   73    76    77    83   1.99000  1.0 1.0
   73    76    77    83   0.18800 -1.0 2.0
   73    76    77    83   0.81350  1.0 3.0
   73    76    80    81   0.28000  1.0 3.0
   73    76    80    82   0.28000  1.0 3.0
   73    76    80    86   1.99000  1.0 1.0
   73    76    80    86   0.18800 -1.0 2.0
   73    76    80    86   0.81350  1.0 3.0
   74    73    76    77   0.28000  1.0 3.0
   74    73    76    80   0.28000  1.0 3.0
   75    73    76    77   0.28000  1.0 3.0
   75    73    76    80   0.28000  1.0 3.0
   76    77   -83    65   0.99100  1.0 1.0
   76    77   -83    65  -1.80900 -1.0 2.0
   76    77    83    84   0.15000  1.0 3.0
   76    77    83    85   0.15000  1.0 3.0
   76    80    86    87   0.15000  1.0 3.0
   76    80    86    88   0.15000  1.0 3.0
   76    80    86    89   3.18500  1.0 1.0
   77    76    80    81   0.28000  1.0 3.0
   77    76    80    82   0.28000  1.0 3.0
   77    76    80    86   1.99000  1.0 1.0
   77    76    80    86   0.18800 -1.0 2.0
   77    76    80    86   0.81350  1.0 3.0
   78    77    83    65   0.19200  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   79    77    83    65   0.19200  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   83    65    69    70   0.15000  1.0 3.0
   83    65    69    71   0.15000  1.0 3.0
   83    65   -69    73   0.47100  1.0 1.0
   80    76    77    78   0.28000  1.0 3.0
   80    76    77    79   0.28000  1.0 3.0
   80    76    77    83   0.58650  1.0 1.0
   80    76    77    83   0.12600 -1.0 2.0
   80    76    77    83   0.33350  1.0 3.0
   80    86    89    90  -0.11600  1.0 1.0
   80    86    89    90  -0.09450 -1.0 2.0
   80    86    89    90   0.21250  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.23400  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.23400  1.0 3.0
   87    86    89    90   0.19450  1.0 3.0
   88    86    89    90   0.19450  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
   37    30    36    38  10.50000 -1.0 2.0
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   45    48    47    39   1.10000 -1.0 2.0
   45    50    49    51   1.10000 -1.0 2.0
   53    72    50    49   4.00000 -1.0 2.0
   58    54    53    50   1.10000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   67    64    63    58   1.10000 -1.0 2.0
   72    68    67    63   1.10000 -1.0 2.0
   67    46    72    50   4.00000 -1.0 2.0
   55    52    51    49   1.10000 -1.0 2.0
END
