* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    167    248     476
    1     0 S   NP   _N1_     1    29.54937    92.64917   -25.27007
    2     1 S   H    _HN1     2     1.02783   107.88328   -93.48702
    3     1 S   H    _H1_     3     1.03031    98.16443    18.59529
    4     1 S   H    _H2_     4     1.02821     9.82889   174.77933
    5     1 S   CT   _CA1     5     1.50258   118.78786   137.47974
    6     5 S   HC   _HA1     6     1.09546   105.38745    67.04802
    7     5 S   CO3  _C1_     7     1.53859   112.25341   -53.53013
    8     7 S   O2Z  _O11     8     1.26389   115.06928   -43.87927
    9     7 S   O2Z  _O12     9     1.26233   114.91148   135.23470
   10     5 S   CT   _CB1    10     1.52887   107.13055  -174.81651
   11    10 S   HC   HB11    11     1.09821   109.61683   -48.54171
   12    10 S   HC   HB12    12     1.09578   109.78332    67.90919
   13    10 S   CT   _CG1    13     1.52956   113.57085  -170.34482
   14    13 S   HC   HG11    14     1.09562   110.43982   -57.37694
   15    13 S   HC   HG12    15     1.09579   110.38103    62.20336
   16    13 S   C    _CD1    16     1.51860   111.26322  -177.63860
   17    16 S   O    _OE1    17     1.22793   123.06104   -14.07612
   18    16 S   N    _N2_    18     1.38523   112.17934   166.11724
   19    18 S   H    _HN2    19     1.01579   119.31601     3.02750
   20    18 S   CT1  _CA2    20     1.46123   122.81660  -175.97669
   21    20 S   HC   _HA2    21     1.09595   109.18809    -9.03068
   22    20 S   C    _C2_    22     1.53323   109.03173  -124.44098
   23    22 S   O    _O2_    23     1.23044   122.25264  -149.79981
   24    20 S   CT   _CB2    32     1.53458   111.66238   112.81730
   25    24 S   HC   HB21    33     1.09659   109.47882    65.51311
   26    24 S   HC   HB22    34     1.09568   110.97905  -177.16766
   27    22 S   N    _N3_    24     1.38334   113.57216    37.78028
   28    27 S   H    _HN3    25     1.01648   119.48305    -3.74722
   29    24 S   S    _SG2    35     1.82774   114.38290   -53.77047
   30    27 S   CT   _CA3    26     1.45293   123.08284   176.83195
   31    30 S   HC   HA31    27     1.09554   107.55070   -63.07291
   32    30 S   HC   HA32    28     1.09560   107.90743    53.31457
   33    29 S   CT   _C24    36     1.82409   100.10481   -71.93181
   34    33 S   HC   _H27    37     1.09453   108.37215   -65.54345
   35    33 S   HC   _H28    38     1.09208   110.33194    51.66293
   36    30 S   CO3  _C3_    29     1.52922   114.17437   175.29264
   37    36 S   O2Z  _O31    30     1.26358   116.05246    -0.42336
   38    36 S   O2Z  _O32    31     1.26429   114.41128   179.62570
   39    33 S   CM   _C22    39     1.50207   109.13807   172.74650
   40    39 S   CMA  _C23    40     1.34998   127.40321    98.88169
   41    40 S   OM   _O39    41     1.26283   128.02294     2.32667
   42    40 S   OS   _O38    42     1.42013   109.70386  -177.13119
   43    42 S   CT   _C7_    43     1.44170   106.99281    11.90721
   44    43 S   HC   _H3_    44     1.08597   105.92238  -139.94431
   45    43 S   CM   _C6_    45     1.51260   108.89640   100.73320
   46    45 S   HC   _H11    46     1.09042   113.83087   -55.69140
   47    39 S   CT   _C8_    61     1.50599   120.66853   -81.18145
   48    47 S   HC   _H4_    62     1.09643   110.09307    47.32951
   49    45 S   CM   _C5_    47     1.35022   128.56845   126.97735
   50    49 S   CT   _C14    48     1.52405   127.02194    -3.52953
   51    50 S   HC   _H7_    49     1.09884   108.81061  -154.71725
   52    49 S   CT   _C4_    86     1.50929   119.23856   176.47913
   53    52 S   HC   _H8_    87     1.09497   110.24555   118.58409
   54    52 S   HC   _H9_    88     1.09510   112.57305    -1.54053
   55    52 S   HC   _H10    89     1.09498   110.20425  -121.52744
   56    50 S   CT   _C13    50     1.54077   114.23484    87.06896
   57    56 S   HC   _H14    51     1.09746   108.78679    70.36239
   58    56 S   HC   _H15    52     1.09627   109.16356  -173.87526
   59    50 S   OS   _O34    79     1.44340   112.29078   -37.03762
   60    56 S   C3T  _C12    53     1.49815   114.36477   -49.58607
   61    60 S   HC   _H6_    54     1.08204   111.89852    73.60596
   62    59 S   CO4  _C15    80     1.36303   117.63196   -78.71442
   63    62 S   O    _O35    81     1.22313   126.53277    -1.92651
   64    60 S   C3T  _C11    55     1.52552   125.25715   -84.00898
   65    62 S   CT   _C16    82     1.49836   109.38074   177.06082
   66    65 S   HC   _H16    83     1.09257   109.64295   -69.01676
   67    65 S   HC   _H17    84     1.09368   109.36742   171.52903
   68    65 S   HC   _H18    85     1.09317   109.99133    52.80277
   69    64 S   CT   _C10    56     1.51304   118.84091   161.58538
   70    69 S   HC   _H12    57     1.09709   107.74559   150.80060
   71    69 S   HC   _H13    58     1.09545   109.31354    36.42508
   72    60 S   O3T  _O33    74     1.43169   114.34293  -151.34778
   73    64 S   CT   _C17    75     1.50085   122.49153    -2.40444
   74    73 S   HC   _H19    76     1.09409   112.45583   -30.64275
   75    73 S   HC   _H20    77     1.09518   110.45388  -150.15026
   76    73 S   HC   _H21    78     1.09253   111.04209    90.15728
   77    69 S   CT   _C9_    59     1.54318   116.48772   -86.27083
   78    77 S   HC   _H5_    60     1.09761   106.05050   177.71116
   79    77 S   OS   _O36    63     1.44477   110.27802   -65.41014
   80    79 S   CO4  _C18    64     1.35796   118.33636   -82.95312
   81    80 S   O    _O37    65     1.22223   126.17155     2.22739
   82    80 S   CM   _C19    66     1.48959   109.25657  -177.88919
   83    82 S   CM   _C20    67     1.34134   117.42548  -173.71238
   84    83 S   HC   _H22    68     1.08547   120.93902  -179.65395
   85    83 S   HC   _H23    69     1.08531   122.44645     0.38052
   86    82 S   CT   _C21    70     1.49799   120.04515     6.91826
   87    86 S   HC   _H24    71     1.09450   110.59963   -63.03883
   88    86 S   HC   _H25    72     1.09489   110.60863    57.51745
   89    86 S   HC   _H26    73     1.09533   111.87694   177.21020
  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
  10   4   3   2   1   1  12   8   3   8  12   6  13   4  10   4
  12  16   7   5   2   1   1  10   6   5   7  11   4   5   4  11
   3   2   1   1  11   6   5   5   4   2   1   1   5   2   5   9
   3   7   6   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    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    43    77    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    69    77    78    47    48    79  
   41    42    43    44    45    77    47    48  
   42    43    47  
   43    44    45    46    49    77    47    48  
   44    45    46    49    50    69    77    78    47    48    79    52  
   45    46    49    77    47    48  
   46    49    50    51    56    77    47    48    59    52    53    54    55  
   49    50    47    52  
   48    79    80    49    64    69    70    71    77    78  
   79    69    77    78  
   50    51    56    57    58    60    59    62    52    53    54    55  
   51    56    57    58    60    61    64    72    59    62    63    65    52    53    54    55  
   56    57    58    60    59    62    52  
   53    54    55    56    59  
   54    55  
   55  
    0  
   57    58    60    61    64    69    72    73    59    62  
   58    60    61    64    72    59  
   60    61    64    72    59  
   62    63    65    66    67    68    60  
   61    64    69    70    71    77    72    73    74    75    76  
   64    69    72    73  
   63    65    66    67    68  
   65    66    67    68  
   69    70    71    77    78    79    72    73    74    75    76  
   66    67    68  
   67    68  
   68  
    0  
   70    71    77    78    79    80    72    73    74    75    76  
   71    77    78    79    72    73  
   77    78    79    72    73  
   73    74    75    76    77  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80    81    82  
   79    80  
   80    81    82    83    86  
   81    82    83    84    85    86    87    88    89  
   82    83    86  
   83    84    85    86    87    88    89  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   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   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    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   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   275.000  1.510
   60    61   340.000  1.088
   60    64   260.000  1.509
   60    72   335.000  1.432
   64    69   275.000  1.510
   64    72   335.000  1.432
   64    73   275.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    47   268.000  1.529
   77    79   320.000  1.410
   47    48   340.000  1.090
   79    80   214.000  1.327
   80    81   570.000  1.229
   80    82   320.000  1.462
   82    83   549.000  1.340
   82    86   317.000  1.510
   83    84   340.000  1.080
   83    85   340.000  1.080
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    77    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    77    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    59    85.00000  110.90400
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    60    70.00000  112.37300
   50    59    62    83.00000  116.90000
   56    50    51    37.50000  110.70000
   56    60    61    40.00000  115.04500
   56    60    64    60.00000  120.94000
   56    60    72    80.00000  116.47100
   58    56    57    33.00000  107.80000
   60    56    57    45.00000  109.38400
   60    56    58    45.00000  109.38400
   60    64    69    60.00000  120.94000
   60    64    72    15.00000   60.43100
   60    64    73    60.00000  120.94000
   60    72    64    15.00000   59.14900
   64    60    61    37.50000  117.20000
   64    69    70    45.00000  109.38400
   64    69    71    45.00000  109.38400
   64    69    77    70.00000  112.37300
   64    73    74    45.00000  109.38400
   64    73    75    45.00000  109.38400
   64    73    76    45.00000  109.38400
   69    77    78    37.50000  110.70000
   69    77    47    58.35000  112.70000
   69    77    79    50.00000  109.50000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    47    48    37.50000  110.70000
   77    79    80    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    77    78    37.50000  110.70000
   79    77    78    35.00000  109.50000
   79    77    47    50.00000  109.50000
   79    80    81    83.00000  123.40000
   79    80    82    90.00000  111.29400
   80    82    83    65.00000  118.96000
   80    82    86    65.00000  116.34900
   82    80    81    80.00000  123.72100
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    89    35.00000  109.50000
   85    83    84    35.00000  117.00000
   86    82    83    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   72    60    61    50.00000  114.27700
   72    60    64    15.00000   60.43100
   72    64    69    80.00000  116.47100
   73    64    69    58.35000  112.70000
   73    64    72    80.00000  116.47100
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    65    81.00000  111.40000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   65    62    63    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    77   0.46850  1.0 1.0
   33    39    47    77   0.08550 -1.0 2.0
   33    39    47    77   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    77   0.09850  1.0 1.0
   40    39    47    77   0.15250 -1.0 2.0
   40    39    47    77  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    77   0.62750  1.0 1.0
   42    43    47    77  -0.30950 -1.0 2.0
   42    43    47    77   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    77   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    77   0.34400  1.0 1.0
   45    43    47    77   0.09450 -1.0 2.0
   45    43    47    77   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    59   0.39000  1.0 1.0
   45    49    50    59  -0.05800 -1.0 2.0
   45    49    50    59  -0.55150  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    60   0.34400  1.0 1.0
   49    50    56    60   0.09450 -1.0 2.0
   49    50    56    60   0.11100  1.0 3.0
   49    50    59    62  -0.82050  1.0 1.0
   49    50    59    62   0.00600 -1.0 2.0
   49    50    59    62   0.04400  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    60    61   0.15000  1.0 3.0
   50    56    60    64   0.07850  1.0 1.0
   50    56    60    64  -0.03950 -1.0 2.0
   50    56    60    64   0.67350  1.0 3.0
   50    56    60    72   0.02550  1.0 1.0
   50    56    60    72  -0.02600 -1.0 2.0
   50    56    60    72   1.20400  1.0 3.0
   50    59    62    63   3.00000 -1.0 2.0
   50    59    62    65   1.63150  1.0 1.0
   50    59    62    65   2.92000 -1.0 2.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    60   0.15000  1.0 3.0
   51    50    59    62   0.08050  1.0 3.0
   56    50    59    62  -0.25900  1.0 1.0
   56    50    59    62  -0.47000 -1.0 2.0
   56    50    59    62   0.11750  1.0 3.0
   56    60    64    69   0.56750  1.0 1.0
   56    60    64    69  -0.07550 -1.0 2.0
   56    60    64    69   0.20000  1.0 3.0
   56    60   -64    72   0.02550  1.0 1.0
   56    60   -64    72  -0.02600 -1.0 2.0
   56    60   -64    72   1.20400  1.0 3.0
   56    60    64    73   0.56750  1.0 1.0
   56    60    64    73  -0.07550 -1.0 2.0
   56    60    64    73   0.20000  1.0 3.0
   56    60   -72    64   0.06250  1.0 1.0
   56    60   -72    64  -0.01100 -1.0 2.0
   56    60   -72    64   0.28050  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   57    56    60    72   0.23400  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    64   0.15000  1.0 3.0
   58    56    60    72   0.23400  1.0 3.0
   60    64    69    70   0.15000  1.0 3.0
   60    64    69    71   0.15000  1.0 3.0
   60    64    69    77   0.07850  1.0 1.0
   60    64    69    77  -0.03950 -1.0 2.0
   60    64    69    77   0.67350  1.0 3.0
   60    64    73    74   0.15000  1.0 3.0
   60    64    73    75   0.15000  1.0 3.0
   60    64    73    76   0.15000  1.0 3.0
   61    60    64    69   0.15000  1.0 3.0
   61    60   -64    72   0.23400  1.0 3.0
   61    60    64    73   0.15000  1.0 3.0
   61    60   -72    64   0.36800  1.0 3.0
   64    69    77    78   0.15000  1.0 3.0
   64    69    77    47   0.47050  1.0 1.0
   64    69    77    47   0.03900 -1.0 2.0
   64    69    77    47   0.20100  1.0 3.0
   64    69    77    79  -0.26800  1.0 1.0
   64    69    77    79   0.69150 -1.0 2.0
   64    69    77    79  -0.48750  1.0 3.0
   69    64   -72    60   0.06250  1.0 1.0
   69    64   -72    60  -0.01100 -1.0 2.0
   69    64   -72    60   0.28050  1.0 3.0
   69    64    73    74   0.15000  1.0 3.0
   69    64    73    75   0.15000  1.0 3.0
   69    64    73    76   0.15000  1.0 3.0
   69    77    47    39   0.34400  1.0 1.0
   69    77    47    39   0.09450 -1.0 2.0
   69    77    47    39   0.11100  1.0 3.0
   69    77    47    43   0.56750  1.0 1.0
   69    77    47    43  -0.07550 -1.0 2.0
   69    77    47    43   0.20000  1.0 3.0
   69    77    47    48   0.15000  1.0 3.0
   69    77    79    80  -0.25900  1.0 1.0
   69    77    79    80  -0.47000 -1.0 2.0
   69    77    79    80   0.11750  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    47   0.15000  1.0 3.0
   70    69    77    79   0.23400  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    47   0.15000  1.0 3.0
   71    69    77    79   0.23400  1.0 3.0
   77    79    80    81   3.00000 -1.0 2.0
   77    79    80    82   2.00000 -1.0 2.0
   78    77    47    39   0.15000  1.0 3.0
   78    77    47    43   0.15000  1.0 3.0
   78    77    47    48   0.15000  1.0 3.0
   78    77    79    80   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    77    79    80  -0.25900  1.0 1.0
   47    77    79    80  -0.47000 -1.0 2.0
   47    77    79    80   0.11750  1.0 3.0
   79    77    47    39   0.61850  1.0 1.0
   79    77    47    39  -0.22750 -1.0 2.0
   79    77    47    39   0.15300  1.0 3.0
   79    77    47    43   0.62750  1.0 1.0
   79    77    47    43  -0.30950 -1.0 2.0
   79    77    47    43   0.27300  1.0 3.0
   79    77    47    48   0.23400  1.0 3.0
   79    80    82    83  -0.56150  1.0 1.0
   79    80    82    83   2.19150 -1.0 2.0
   79    80    82    86  -0.15000  1.0 1.0
   79    80    82    86   0.89550 -1.0 2.0
   79    80    82    86  -0.06900  1.0 3.0
   80    82    83    84   7.00000 -1.0 2.0
   80    82    83    85   7.00000 -1.0 2.0
   80    82    86    87   0.15000  1.0 3.0
   80    82    86    88   0.15000  1.0 3.0
   80    82    86    89   0.15000  1.0 3.0
   81    80    82    83   1.00000 -1.0 2.0
   81    80    82    86  -0.64400  1.0 1.0
   81    80    82    86   0.26850 -1.0 2.0
   83    82    86    87   0.00000  1.0 1.0
   83    82    86    88   0.00000  1.0 1.0
   83    82    86    89   0.00000  1.0 1.0
   86    82    83    84   7.00000 -1.0 2.0
   86    82    83    85   7.00000 -1.0 2.0
   72    60   -64    69   0.02550  1.0 1.0
   72    60   -64    69  -0.02600 -1.0 2.0
   72    60   -64    69   1.20400  1.0 3.0
   72    60   -64    73   0.02550  1.0 1.0
   72    60   -64    73  -0.02600 -1.0 2.0
   72    60   -64    73   1.20400  1.0 3.0
   72    64    69    70   0.23400  1.0 3.0
   72    64    69    71   0.23400  1.0 3.0
   72    64    69    77   0.02550  1.0 1.0
   72    64    69    77  -0.02600 -1.0 2.0
   72    64    69    77   1.20400  1.0 3.0
   72    64    73    74   0.23400  1.0 3.0
   72    64    73    75   0.23400  1.0 3.0
   72    64    73    76   0.23400  1.0 3.0
   73    64    69    70   0.15000  1.0 3.0
   73    64    69    71   0.15000  1.0 3.0
   73    64    69    77   0.56750  1.0 1.0
   73    64    69    77  -0.07550 -1.0 2.0
   73    64    69    77   0.20000  1.0 3.0
   73    64   -72    60   0.06250  1.0 1.0
   73    64   -72    60  -0.01100 -1.0 2.0
   73    64   -72    60   0.28050  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    60  -0.26800  1.0 1.0
   59    50    56    60   0.69150 -1.0 2.0
   59    50    56    60  -0.48750  1.0 3.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    67   0.00000  1.0 1.0
   59    62    65    68   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    59   0.09700  1.0 1.0
   52    49    50    59   0.15600 -1.0 2.0
   52    49    50    59  -0.50800  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
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
   79    82    80    81  10.50000 -1.0 2.0
   80    86    82    83  15.00000 -1.0 2.0
   84    85    83    82  15.00000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
END
