* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    263     499
    1     0 S   NP   _N1_     1    28.71356    95.49230   -20.55396
    2     1 S   H    _HN1     2     1.02933    83.98711    15.92325
    3     1 S   H    _H1_     3     1.02841    40.71625   141.08739
    4     1 S   H    _H2_     4     1.02795    84.42017   -93.18430
    5     1 S   CT   _CA1     5     1.50059   151.44364   139.03309
    6     5 S   HC   _HA1     6     1.09556   105.31400    60.77142
    7     5 S   CO3  _C1_     7     1.53902   112.34627   -59.84134
    8     7 S   O2Z  _O11     8     1.26413   115.05986   -45.64653
    9     7 S   O2Z  _O12     9     1.26203   115.02725   133.83848
   10     5 S   CT   _CB1    10     1.53123   107.51421   179.04632
   11    10 S   HC   HB11    11     1.09820   109.88171   -47.18855
   12    10 S   HC   HB12    12     1.09811   110.21736    69.49242
   13    10 S   CT   _CG1    13     1.53013   112.41146  -168.03040
   14    13 S   HC   HG11    14     1.09592   110.57761   -56.92863
   15    13 S   HC   HG12    15     1.09635   109.94182    62.28806
   16    13 S   C    _CD1    16     1.51734   112.28392  -176.79875
   17    16 S   O    _OE1    17     1.22725   123.21101     1.64604
   18    16 S   N    _N2_    18     1.38674   111.59244  -179.52770
   19    18 S   H    _HN2    19     1.01584   119.09599     4.22827
   20    18 S   CT1  _CA2    20     1.46302   123.27467  -175.10919
   21    20 S   HC   _HA2    21     1.09750   109.27569    -8.54378
   22    20 S   C    _C2_    22     1.53294   108.77802  -124.40085
   23    22 S   O    _O2_    23     1.23032   122.32254  -148.48262
   24    20 S   CT   _CB2    32     1.53779   111.35959   113.01437
   25    24 S   HC   HB21    33     1.09446   109.22822    59.66200
   26    24 S   HC   HB22    34     1.09281   109.76847   178.53460
   27    22 S   N    _N3_    24     1.38349   113.49531    38.95514
   28    27 S   H    _HN3    25     1.01644   119.48088    -3.59221
   29    24 S   S    _SG2    35     1.82683   110.44199   -60.43477
   30    27 S   CT   _CA3    26     1.45289   123.10578   176.91917
   31    30 S   HC   HA31    27     1.09553   107.49999   -64.19673
   32    30 S   HC   HA32    28     1.09560   107.96478    52.19778
   33    29 S   CT   _C7_    36     1.86195   103.70157  -174.05400
   34    30 S   CO3  _C3_    29     1.52930   114.17049   174.18935
   35    34 S   O2Z  _O31    30     1.26362   116.07375    -1.32027
   36    34 S   O2Z  _O32    31     1.26434   114.40821   178.75983
   37    33 S   CO4  _C8_    37     1.54494   110.17504  -173.05355
   38    37 S   O    _O33    38     1.22715   123.45195  -177.09101
   39    33 S   CT   _C6_    65     1.56090   111.10466    68.14989
   40    39 S   HC   _H11    66     1.09597   110.58313   -54.25935
   41    39 S   HC   _H12    67     1.09880   105.59343  -165.49898
   42    33 S   CT   _C20    80     1.56800   109.51006   -54.75426
   43    42 S   HC   _H7_    81     1.09515   109.37002    63.25490
   44    37 S   OS   _O34    39     1.35782   112.68188     1.85636
   45    42 S   CT   _C21    82     1.53110   115.34358   -59.82946
   46    45 S   HC   _H26    83     1.09507   111.34768   -61.31380
   47    45 S   HC   _H27    84     1.09610   110.05225  -178.65201
   48    45 S   HC   _H28    85     1.09274   112.66523    61.26341
   49    42 S   OH   _O38    86     1.43296   110.40989   178.27864
   50    49 S   HO   _H29    87     0.97259   107.82823  -175.29872
   51    44 S   CT   _C9_    40     1.43787   118.40752  -174.11240
   52    51 S   HC   _H4_    41     1.09551   110.64906    35.43171
   53    51 S   CT   _C10    42     1.52315   109.30295   -89.84629
   54    53 S   HC   _H13    43     1.09620   110.47921   169.17114
   55    53 S   HC   _H14    44     1.09388   113.24647    46.86438
   56    53 S   CT   _C11    45     1.52067   103.14390   -73.03633
   57    56 S   HC   _H15    46     1.09466   111.55381    79.17860
   58    56 S   HC   _H16    47     1.09303   113.56008  -155.22591
   59    56 S   NP   _N4_    48     1.50621   103.54985   -37.82800
   60    59 S   H    _H5_    49     1.02899   108.96357   -98.88815
   61    59 S   CT   _C15    50     1.51360   117.31666   137.41562
   62    61 S   HC   _H18    51     1.09311   107.08878   112.82081
   63    61 S   HC   _H19    52     1.09341   109.57119    -7.33404
   64    61 S   CM   _C14    53     1.49233   105.88634  -127.63167
   65    64 S   HC   _H17    54     1.08115   123.30395  -175.08506
   66    64 S   CM   _C13    55     1.34064   111.92439     5.50623
   67    66 S   CT   _C16    56     1.49010   126.49394  -178.23575
   68    67 S   HC   _H20    57     1.09706   111.71803    17.36633
   69    67 S   HC   _H21    58     1.09557   109.58372   134.54799
   70    51 S   CT   _C12    78     1.53300   109.30060   158.13258
   71    70 S   HC   _H6_    79     1.09640   111.24828  -162.29485
   72    67 S   OS   _O35    59     1.43984   111.63268  -106.91969
   73    72 S   CO4  _C17    60     1.36651   116.41505    90.92928
   74    73 S   O    _O36    61     1.22709   125.06114    -6.89022
   75    73 S   CT   _C18    62     1.53504   111.71773   167.45195
   76    75 S   CT   _C5_    63     1.56537   114.97251    45.92897
   77    76 S   HC   _H3_    64     1.09521   108.98793   -39.04946
   78    75 S   CT   _C19    72     1.54192   104.06084   -79.27486
   79    78 S   HC   _H22    73     1.09539   111.70366  -165.47861
   80    78 S   HC   _H23    74     1.09527   111.72382    71.59744
   81    78 S   HC   _H24    75     1.09764   110.93563   -48.15659
   82    75 S   OH   _O37    76     1.42781   108.20042   167.68158
   83    82 S   HO   _H25    77     0.97330   108.15527    54.55664
   84    76 S   CT   _C4_    68     1.54940   110.93144  -154.00186
   85    84 S   HC   _H8_    69     1.09520   111.20776   -59.36930
   86    84 S   HC   _H9_    70     1.09595   111.18439  -179.69099
   87    84 S   HC   _H10    71     1.09425   111.67829    62.38721
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  19   2   1   1  14   4  17   6   5   9   6  10   5   3   2   1
   1   1  15   8  11   6   5  11   5   4  10   7   8   5   4   8
   3   7   8   4   3   2   1   6  11   4  12  11   6   6   3   2
   1   2   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    76    39    40    41    42    43    45    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    51    75    76    77    39    40    41    84    42    43    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    44    51    52    53    76    39    40    41    70    42    43    45    49  
   44    51    39    42  
   40    41    84    85    86    87    78    82    42    43    45    49    44    73    75    76    77  
   41    84    42    75    76    77  
   84    42    75    76    77  
   43    45    46    47    48    49    50    44    76  
   45    46    47    48    49    50  
   51    52    53    54    55    56    59    66    70    71  
   46    47    48    49    50  
   47    48    49  
   48    49  
   49  
   50  
    0  
   52    53    54    55    56    57    58    59    60    61    64    66    67    70    71  
   53    54    55    56    59    66    70    71  
   54    55    56    57    58    59    60    61    66    70    71  
   55    56    57    58    59    70  
   56    57    58    59    70  
   57    58    59    60    61    62    63    64    66    70    71  
   58    59    60    61    70  
   59    60    61    70  
   60    61    62    63    64    65    66    67    70    71  
   61    62    63    64    66    70    71  
   62    63    64    65    66    67    70    71  
   63    64    65    66    70  
   64    65    66    70  
   65    66    67    68    69    72    70    71  
   66    67    70  
   67    68    69    72    73    70    71  
   68    69    72    73    74    75    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76    78    82  
   74    75    76    77    84    78    79    80    81    82    83  
   75    76    78    82  
   76    77    84    85    86    87    78    79    80    81    82    83  
   77    84    85    86    87    78    79    80    81    82    83  
   84    85    86    87    78    82  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    44   214.000  1.327
   44    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    70   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   367.000  1.471
   59    60   434.000  1.010
   59    61   367.000  1.471
   59    70   367.000  1.471
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   317.000  1.510
   66    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   268.000  1.529
   75    78   268.000  1.529
   75    82   320.000  1.410
   76    77   340.000  1.090
   76    39   268.000  1.529
   76    84   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   70    71   340.000  1.090
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    81.00000  111.40000
   33    39    76    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    45    58.35000  112.70000
   33    42    49    50.00000  109.50000
   37    44    51    83.00000  116.90000
   44    37    38    83.00000  123.40000
   44    51    52    35.00000  109.50000
   44    51    53    50.00000  109.50000
   44    51    70    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    70    59    80.00000  111.20000
   51    70    66    70.00000  112.02700
   51    70    71    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    80.00000  111.20000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    35.00000  109.50000
   56    59    61    75.00000  113.01200
   56    59    70    75.00000  113.01200
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    75.00000  110.06800
   59    70    66    75.00000  110.06800
   59    70    71    35.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    35.00000  117.00000
   61    64    66    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    66    67    70.00000  124.00000
   64    66    70    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    72    85.00000  110.90400
   66    70    71    35.00000  109.50000
   67    72    73    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    63.00000  111.10000
   73    75    78    63.00000  111.10000
   73    75    82    90.00000  109.61100
   75    73    74    80.00000  120.40000
   75    76    77    37.50000  110.70000
   75    76    39    58.35000  112.70000
   75    76    84    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    55.00000  108.50000
   76    39    40    37.50000  110.70000
   76    39    41    37.50000  110.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    76    77    37.50000  110.70000
   41    39    40    33.00000  107.80000
   84    76    77    37.50000  110.70000
   84    76    39    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    75    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    50.00000  109.50000
   82    75    78    50.00000  109.50000
   70    51    52    37.50000  110.70000
   70    51    53    58.35000  112.70000
   70    59    60    35.00000  109.50000
   70    59    61    75.00000  113.01200
   70    66    67    65.00000  117.92700
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   42    49    50    55.00000  108.50000
   45    42    43    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    45    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   0.01700  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.40000  1.0 3.0
   29    33    39    76   0.44750  1.0 1.0
   29    33    39    76  -0.17800 -1.0 2.0
   29    33    39    76   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    45   0.44750  1.0 1.0
   29    33    42    45  -0.17800 -1.0 2.0
   29    33    42    45   0.20200  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    37    44    51   1.63150  1.0 1.0
   33    37    44    51   2.92000 -1.0 2.0
   33    42    45    46   0.15000  1.0 3.0
   33    42    45    47   0.15000  1.0 3.0
   33    42    45    48   0.15000  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  1.0 3.0
   37    33    39    76  -0.95700  1.0 1.0
   37    33    39    76  -0.18200 -1.0 2.0
   37    33    39    76   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    45  -0.95700  1.0 1.0
   37    33    42    45  -0.18200 -1.0 2.0
   37    33    42    45   0.29450  1.0 3.0
   37    33    42    49  -0.09450  1.0 1.0
   37    33    42    49  -1.12950 -1.0 2.0
   37    33    42    49   0.54000  1.0 3.0
   37    44    51    52   0.08050  1.0 3.0
   37    44    51    53  -0.25900  1.0 1.0
   37    44    51    53  -0.47000 -1.0 2.0
   37    44    51    53   0.11750  1.0 3.0
   37    44    51    70  -0.25900  1.0 1.0
   37    44    51    70  -0.47000 -1.0 2.0
   37    44    51    70   0.11750  1.0 3.0
   38    37    44    51   3.00000 -1.0 2.0
   44    51    53    54   0.23400  1.0 3.0
   44    51    53    55   0.23400  1.0 3.0
   44    51    53    56   0.62750  1.0 1.0
   44    51    53    56  -0.30950 -1.0 2.0
   44    51    53    56   0.27300  1.0 3.0
   44    51    70    59   1.69300  1.0 1.0
   44    51    70    59  -0.48450 -1.0 2.0
   44    51    70    66   0.61850  1.0 1.0
   44    51    70    66  -0.22750 -1.0 2.0
   44    51    70    66   0.15300  1.0 3.0
   44    51    70    71   0.23400  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53   -56    59   1.36600  1.0 1.0
   51    53   -56    59  -0.11450 -1.0 2.0
   51    53   -56    59   0.24250  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    70    59   0.19200  1.0 3.0
   52    51    70    66   0.15000  1.0 3.0
   52    51    70    71   0.15000  1.0 3.0
   53    51   -70    59   1.36600  1.0 1.0
   53    51   -70    59  -0.11450 -1.0 2.0
   53    51   -70    59   0.24250  1.0 3.0
   53    51    70    66   0.34400  1.0 1.0
   53    51    70    66   0.09450 -1.0 2.0
   53    51    70    66   0.11100  1.0 3.0
   53    51    70    71   0.15000  1.0 3.0
   53    56    59    60   0.17350  1.0 3.0
   53    56    59    61   0.47100  1.0 1.0
   53    56   -59    70   0.47100  1.0 1.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.19200  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.19200  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.08000 -1.0 2.0
   56    59   -70    51   0.47100  1.0 1.0
   56    59    70    66   0.08000 -1.0 2.0
   56    59    70    71   0.15000  1.0 3.0
   57    56    59    60   0.13050  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    70   0.15000  1.0 3.0
   58    56    59    60   0.13050  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    70   0.15000  1.0 3.0
   59    61    64    65   0.00000  1.0 1.0
   59    61   -64    66   0.80850  1.0 1.0
   59    61   -64    66  -0.47300 -1.0 2.0
   59    61   -64    66  -0.52300  1.0 3.0
   60    59    61    62   0.13050  1.0 3.0
   60    59    61    63   0.13050  1.0 3.0
   60    59    61    64   0.17350  1.0 3.0
   60    59    70    51   0.17350  1.0 3.0
   60    59    70    66   0.17350  1.0 3.0
   60    59    70    71   0.13050  1.0 3.0
   61    59    70    51   0.47100  1.0 1.0
   61    59   -70    66   0.08000 -1.0 2.0
   61    59    70    71   0.15000  1.0 3.0
   61    64    66    67   7.00000 -1.0 2.0
   61    64   -66    70   7.00000 -1.0 2.0
   62    61    64    65   0.33100  1.0 3.0
   62    61    64    66   0.00000  1.0 1.0
   63    61    64    65   0.33100  1.0 3.0
   63    61    64    66   0.00000  1.0 1.0
   64    66    67    68   0.00000  1.0 1.0
   64    66    67    69   0.00000  1.0 1.0
   64    66    67    72   0.39000  1.0 1.0
   64    66    67    72  -0.05800 -1.0 2.0
   64    66    67    72  -0.55150  1.0 3.0
   64    66    70    51   0.09850  1.0 1.0
   64    66    70    51   0.15250 -1.0 2.0
   64    66    70    51  -0.50650  1.0 3.0
   64    66   -70    59   0.80850  1.0 1.0
   64    66   -70    59  -0.47300 -1.0 2.0
   64    66   -70    59  -0.52300  1.0 3.0
   64    66    70    71   0.00000  1.0 1.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    70   7.00000 -1.0 2.0
   66    67    72    73  -0.82050  1.0 1.0
   66    67    72    73   0.00600 -1.0 2.0
   66    67    72    73   0.04400  1.0 3.0
   67    66    70    51   0.46850  1.0 1.0
   67    66    70    51   0.08550 -1.0 2.0
   67    66    70    51   0.09800  1.0 3.0
   67    66    70    59   0.52100  1.0 1.0
   67    66    70    59  -0.20350 -1.0 2.0
   67    66    70    59   0.29750  1.0 3.0
   67    66    70    71   0.34800  1.0 3.0
   67    72    73    74   3.00000 -1.0 2.0
   67    72    73    75   1.63150  1.0 1.0
   67    72    73    75   2.92000 -1.0 2.0
   68    67    72    73   0.08050  1.0 3.0
   69    67    72    73   0.08050  1.0 3.0
   72    73    75    76   0.36750  1.0 3.0
   72    73    75    78   0.36750  1.0 3.0
   72    73    75    82   0.30750  1.0 1.0
   72    73    75    82   1.13850 -1.0 2.0
   72    73    75    82   0.38850  1.0 3.0
   73    75    76    77  -0.11250  1.0 3.0
   73    75    76    39  -0.95700  1.0 1.0
   73    75    76    39  -0.18200 -1.0 2.0
   73    75    76    39   0.29450  1.0 3.0
   73    75    76    84  -0.95700  1.0 1.0
   73    75    76    84  -0.18200 -1.0 2.0
   73    75    76    84   0.29450  1.0 3.0
   73    75    78    79  -0.11250  1.0 3.0
   73    75    78    80  -0.11250  1.0 3.0
   73    75    78    81  -0.11250  1.0 3.0
   73    75    82    83   0.91850  1.0 1.0
   73    75    82    83   0.57950  1.0 3.0
   74    73    75    76   0.30150 -1.0 2.0
   74    73    75    78   0.30150 -1.0 2.0
   74    73    75    82   0.30150 -1.0 2.0
   75    76    39    33   0.56750  1.0 1.0
   75    76    39    33  -0.07550 -1.0 2.0
   75    76    39    33   0.20000  1.0 3.0
   75    76    39    40   0.15000  1.0 3.0
   75    76    39    41   0.15000  1.0 3.0
   75    76    84    85   0.15000  1.0 3.0
   75    76    84    86   0.15000  1.0 3.0
   75    76    84    87   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   76    75    82    83  -0.11600  1.0 1.0
   76    75    82    83  -0.09450 -1.0 2.0
   76    75    82    83   0.21250  1.0 3.0
   77    76    39    33   0.15000  1.0 3.0
   77    76    39    40   0.15000  1.0 3.0
   77    76    39    41   0.15000  1.0 3.0
   77    76    84    85   0.15000  1.0 3.0
   77    76    84    86   0.15000  1.0 3.0
   77    76    84    87   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    44   0.36750  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    45   0.56750  1.0 1.0
   39    33    42    45  -0.07550 -1.0 2.0
   39    33    42    45   0.20000  1.0 3.0
   39    33    42    49   0.86500  1.0 1.0
   39    33    42    49  -0.17500 -1.0 2.0
   39    33    42    49   0.20800  1.0 3.0
   39    76    84    85   0.15000  1.0 3.0
   39    76    84    86   0.15000  1.0 3.0
   39    76    84    87   0.15000  1.0 3.0
   84    76    39    33   0.56750  1.0 1.0
   84    76    39    33  -0.07550 -1.0 2.0
   84    76    39    33   0.20000  1.0 3.0
   84    76    39    40   0.15000  1.0 3.0
   84    76    39    41   0.15000  1.0 3.0
   78    75    76    77   0.15000  1.0 3.0
   78    75    76    39   0.56750  1.0 1.0
   78    75    76    39  -0.07550 -1.0 2.0
   78    75    76    39   0.20000  1.0 3.0
   78    75    76    84   0.56750  1.0 1.0
   78    75    76    84  -0.07550 -1.0 2.0
   78    75    76    84   0.20000  1.0 3.0
   78    75    82    83  -0.11600  1.0 1.0
   78    75    82    83  -0.09450 -1.0 2.0
   78    75    82    83   0.21250  1.0 3.0
   82    75    76    77   0.23400  1.0 3.0
   82    75    76    39   0.86500  1.0 1.0
   82    75    76    39  -0.17500 -1.0 2.0
   82    75    76    39   0.20800  1.0 3.0
   82    75    76    84   0.86500  1.0 1.0
   82    75    76    84  -0.17500 -1.0 2.0
   82    75    76    84   0.20800  1.0 3.0
   82    75    78    79   0.23400  1.0 3.0
   82    75    78    80   0.23400  1.0 3.0
   82    75    78    81   0.23400  1.0 3.0
   70    51    53    54   0.15000  1.0 3.0
   70    51    53    55   0.15000  1.0 3.0
   70    51   -53    56   0.56750  1.0 1.0
   70    51   -53    56  -0.07550 -1.0 2.0
   70    51   -53    56   0.20000  1.0 3.0
   70    59    61    62   0.15000  1.0 3.0
   70    59    61    63   0.15000  1.0 3.0
   70    59   -61    64   0.08000 -1.0 2.0
   70    66    67    68   0.34800  1.0 3.0
   70    66    67    69   0.34800  1.0 3.0
   70    66    67    72   0.09700  1.0 1.0
   70    66    67    72   0.15600 -1.0 2.0
   70    66    67    72  -0.50800  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.36750  1.0 3.0
   42    33    39    76   0.56750  1.0 1.0
   42    33    39    76  -0.07550 -1.0 2.0
   42    33    39    76   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.15000  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   45    42    49    50  -0.11600  1.0 1.0
   45    42    49    50  -0.09450 -1.0 2.0
   45    42    49    50   0.21250  1.0 3.0
   49    42    45    46   0.23400  1.0 3.0
   49    42    45    47   0.23400  1.0 3.0
   49    42    45    48   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
   33    44    37    38  10.50000 -1.0 2.0
   61    65    64    66   1.10000 -1.0 2.0
   67    70    66    64   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
