* LIGAND DATABASE FILE (OPLS2005)
*
001      90    94    170    261     487
    1     0 S   NP   _N1_     1    28.95550    97.24009   -24.95165
    2     1 S   H    _HN1     2     1.02947    62.89687    12.26120
    3     1 S   H    _H1_     3     1.02827    44.56609  -175.81919
    4     1 S   H    _H2_     4     1.02793   115.82677   -86.11895
    5     1 S   CT   _CA1     5     1.50128   130.99738   106.53286
    6     5 S   HC   _HA1     6     1.09574   105.15900   106.36772
    7     5 S   CO3  _C1_     7     1.53763   112.46246   -13.82608
    8     7 S   O2Z  _O11     8     1.26376   115.00069   -42.49833
    9     7 S   O2Z  _O12     9     1.26235   114.93728   136.50283
   10     5 S   CT   _CB1    10     1.53061   107.40851  -135.67707
   11    10 S   HC   HB11    11     1.09841   109.30874   -49.48410
   12    10 S   HC   HB12    12     1.09810   110.48207    67.10232
   13    10 S   CT   _CG1    13     1.53025   112.65197  -170.42846
   14    13 S   HC   HG11    14     1.09570   110.72401   -67.56213
   15    13 S   HC   HG12    15     1.09671   109.70254    51.68890
   16    13 S   C    _CD1    16     1.51817   111.99605   172.14927
   17    16 S   O    _OE1    17     1.22760   123.18221    12.14254
   18    16 S   N    _N2_    18     1.38658   111.83964  -167.86466
   19    18 S   H    _HN2    19     1.01578   118.99006     0.94523
   20    18 S   CT1  _CA2    20     1.46197   123.33214   176.30144
   21    20 S   HC   _HA2    21     1.09744   109.25943     6.83701
   22    20 S   C    _C2_    22     1.53666   108.89345  -108.61971
   23    22 S   O    _O2_    23     1.23079   122.22607  -149.28789
   24    20 S   CT   _CB2    32     1.53278   111.73047   128.77131
   25    24 S   HC   HB21    33     1.09588   110.30702    56.75123
   26    24 S   HC   HB22    34     1.09473   109.97073   175.74522
   27    22 S   N    _N3_    24     1.38306   113.86465    38.22608
   28    27 S   H    _HN3    25     1.01547   119.60185    -3.29337
   29    24 S   S    _SG2    35     1.82566   111.61181   -64.08534
   30    27 S   CT   _CA3    26     1.45282   123.29888   177.16966
   31    30 S   HC   HA31    27     1.09547   107.51005   -64.85427
   32    30 S   HC   HA32    28     1.09554   108.00441    51.61079
   33    29 S   CT   _C24    36     1.83157    98.90414  -176.88354
   34    33 S   HC   _H6_    37     1.09542   105.86859   -51.96903
   35    30 S   CO3  _C3_    29     1.52978   114.02273   173.60432
   36    35 S   O2Z  _O31    30     1.26387   116.06608    -0.68300
   37    35 S   O2Z  _O32    31     1.26422   114.42429   179.37882
   38    33 S   CM   _C21    38     1.52735   111.17695  -169.81088
   39    38 S   CT   _C20    39     1.52661   114.89744   -99.01208
   40    39 S   HC   _H5_    40     1.09935   109.44166   140.57354
   41    38 S   CMA  _C22    84     1.36811   122.74425    82.89947
   42    41 S   OM   _O33    85     1.26936   125.17137     0.29409
   43    39 S   CT   _C19    41     1.53313   110.76990   -99.56243
   44    43 S   HC   _H17    42     1.09825   110.55287    42.59059
   45    43 S   HC   _H18    43     1.09722   109.08889   -73.88904
   46    39 S   CT   _C6_    55     1.52785   110.78566    22.96237
   47    46 S   HC   _H4_    56     1.09836   108.08806    62.16036
   48    41 S   OS   _O34    86     1.42063   111.39310   179.13679
   49    43 S   CA   _C18    44     1.50389   114.86998   164.16761
   50    46 S   CT   _C5_    57     1.54094   111.21370   -56.49506
   51    50 S   HC   _H3_    58     1.09646   109.46738   -80.35614
   52    48 S   CT   _C23    87     1.42700   114.83813   149.80535
   53    52 S   HC   _H19    88     1.09405   107.73718  -172.53384
   54    52 S   HC   _H20    89     1.09481   111.02401    69.57762
   55    52 S   HC   _H21    90     1.09530   111.10076   -54.42289
   56    49 S   C56A _C17    45     1.40251   121.83048   169.52676
   57    33 S   OS   _O35    59     1.43371   114.00497    62.02460
   58    50 S   CT   _C4_    60     1.52765   113.05205   161.48760
   59    58 S   HC   _H7_    61     1.09377   111.69709   -57.27711
   60    58 S   HC   _H8_    62     1.09552   110.35611  -175.81872
   61    58 S   HC   _H9_    63     1.09361   111.55768    63.77560
   62    56 S   C56B _C10    46     1.38961   123.31484   177.14432
   63    56 S   NA   _N5_    72     1.37849   130.02937    -2.45304
   64    63 S   H    _H16    73     1.01077   124.59425    -0.12033
   65    62 S   CA   _C9_    47     1.39776   118.07362    -0.17583
   66    65 S   HA   _H13    48     1.08514   121.67071   179.68348
   67    62 S   C56B _C11    64     1.43077   107.85220   179.87028
   68    65 S   CA   _C8_    49     1.38680   117.73442    -0.17246
   69    68 S   HA   _H12    50     1.08556   120.62394   179.25506
   70    67 S   CA   _C12    65     1.41145   134.06130  -179.84298
   71    70 S   HA   _H14    66     1.08458   118.36657     0.08393
   72    49 S   NAP  _N4_    51     1.35741   121.79475   -14.48414
   73    70 S   CA   _C13    67     1.40464   119.69841  -179.92867
   74    72 S   CT   _C7_    52     1.48667   121.62283     6.25326
   75    74 S   HC   _H10    53     1.09490   108.32597  -149.12383
   76    74 S   HC   _H11    54     1.09753   105.14881    95.34744
   77    73 S   CA   _C14    68     1.40792   120.26767     0.03956
   78    73 S   OS   _O37    79     1.37555   124.10170  -179.97202
   79    77 S   CA   _C15    69     1.40310   120.56763     0.02798
   80    79 S   HA   _H15    70     1.08384   122.67985   179.96044
   81    77 S   OS   _O36    74     1.37636   115.49514   179.98022
   82    78 S   CT   _C26    80     1.42212   117.43174     0.02798
   83    82 S   HC   _H25    81     1.09430   107.73286   180.00000
   84    82 S   HC   _H26    82     1.09493   111.14639    62.28825
   85    82 S   HC   _H27    83     1.09493   111.14543   -62.32015
   86    67 S   C56A _C16    71     1.39006   107.30137     0.27976
   87    81 S   CT   _C25    75     1.42219   117.40828   179.96044
   88    87 S   HC   _H22    76     1.09429   107.73151  -179.96044
   89    87 S   HC   _H23    77     1.09493   111.14451    62.34569
   90    87 S   HC   _H24    78     1.09493   111.14767   -62.25959
  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   7   5   4   3
  13   5   2   1   1  15  19   9   9   2  12   5   4  14   8   4
  13  10   6   3   2   1   1  12   5   4   2   1   1  13   9   3
   8   4   9   5   2   8   4   3  11   2   1   1  10   6   4   2
   5   3   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    50    51    57    58    41    42    48  
   38    39    50    57    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    74    46    47    50    57    41    42    48    52  
   40    43    44    45    49    56    72    74    75    76    46    47    50    51    57    58    41    42    48  
   43    44    45    49    74    46    47    50    41  
   42    48    52    53    54    55    43    46    57  
   48    52  
   44    45    49    56    62    68    72    74    46    47    50    63  
   45    49    56    72    46  
   49    56    72    46  
   47    50    51    57    58    59    60    61    49    68    72    74    75    76  
   50    51    57    58    72    74    75    76  
   52    53    54    55  
   56    62    65    68    69    72    74    75    76    67    86    63    64  
   51    57    58    59    60    61    72    74    75    76  
   57    58    59    60    61    74  
   53    54    55  
   54    55  
   55  
    0  
   62    65    66    68    72    74    67    70    79    86    63    64  
   58    59    60    61    74  
   59    60    61    74  
   60    61  
   61  
    0  
   65    66    68    69    72    67    70    71    73    79    86    63    64  
   64    65    67    70    72    77    79    80    86  
   67    79    86  
   66    68    69    72    74    67    70    86  
   68    69    72    67  
   70    71    73    77    79    80    86    78    68  
   69    72    74    75    76  
   72    74  
   71    73    77    79    86    81    78    82  
   73    77    86    78  
   74    75    76  
   77    79    80    86    81    87    78    82    83    84    85  
   75    76  
   76  
    0  
   79    80    86    81    87    88    89    90    78    82  
   82    83    84    85    79    81  
   80    86    81    87  
   86    81  
   87    88    89    90    86  
   83    84    85  
   84    85  
   85  
    0  
    0  
   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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   64   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   87   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    57   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    56   469.000  1.400
   49    72   485.000  1.342
   56    62   447.000  1.419
   56    63   428.000  1.380
   62    65   469.000  1.404
   62    67   365.000  1.456
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    72   485.000  1.342
   72    74   280.000  1.457
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    57   320.000  1.410
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   67    70   469.000  1.404
   67    86   447.000  1.419
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    77   469.000  1.400
   73    78   450.000  1.364
   77    79   469.000  1.400
   77    81   450.000  1.364
   79    80   367.000  1.080
   79    86   469.000  1.400
   86    63   428.000  1.380
   63    64   434.000  1.010
   81    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   78    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    52   320.000  1.410
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    57    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    57    50    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    70.00000  112.17500
   39    46    74    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    56    70.00000  120.00000
   43    49    72    70.00000  116.21300
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    56    62    85.00000  122.70000
   49    56    63    70.00000  132.80000
   49    72    68    70.00000  123.81700
   49    72    74    70.00000  119.18700
   56    62    65    85.00000  116.20000
   56    62    67    80.00000  105.47000
   56    63    86    90.00000   99.14000
   56    63    64    35.00000  123.10000
   62    65    66    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    67    70    50.00000  134.41300
   62    67    86    80.00000  105.47000
   65    68    69    35.00000  120.00000
   65    68    72    70.00000  119.29800
   68    65    66    35.00000  120.00000
   68    72    74    70.00000  119.18700
   72    49    56    70.00000  122.14000
   72    68    69    45.00000  112.84900
   72    74    75    50.00000  106.41000
   72    74    76    50.00000  106.41000
   72    74    46    75.00000  109.47200
   74    46    47    37.50000  110.70000
   74    46    50    58.35000  112.70000
   76    74    75    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    74    75    37.50000  110.70000
   46    74    76    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    57    50.00000  109.50000
   46    50    58    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   57    33    34    35.00000  109.50000
   57    33    38    85.00000  110.90400
   57    50    51    35.00000  109.50000
   58    50    51    37.50000  110.70000
   58    50    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   67    62    65    50.00000  134.41300
   67    70    71    35.00000  120.00000
   67    70    73    63.00000  120.00000
   67    86    79    85.00000  122.70000
   67    86    63    70.00000  104.40000
   70    73    77    63.00000  120.00000
   70    73    78    70.00000  120.00000
   73    70    71    35.00000  120.00000
   73    77    79    63.00000  120.00000
   73    77    81    70.00000  120.00000
   73    78    82    75.00000  111.00000
   77    79    80    35.00000  120.00000
   77    79    86    85.00000  120.00000
   77    81    87    75.00000  111.00000
   79    86    63    70.00000  132.80000
   86    67    70    85.00000  116.20000
   86    79    80    35.00000  120.00000
   86    63    64    35.00000  123.10000
   63    56    62    70.00000  104.40000
   81    77    79    70.00000  120.00000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   78    73    77    70.00000  120.00000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    48    52    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50  -0.77900  1.0 1.0
   38    33    57    50  -0.36900 -1.0 2.0
   38    33    57    50   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.21200  1.0 1.0
   38    39    43    49   0.16900 -1.0 2.0
   38    39    43    49  -1.15100  1.0 3.0
   38    39    46    74   0.34400  1.0 1.0
   38    39    46    74   0.09450 -1.0 2.0
   38    39    46    74   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    50   0.34400  1.0 1.0
   38    39   -46    50   0.09450 -1.0 2.0
   38    39   -46    50   0.11100  1.0 3.0
   38    41    48    52  -2.26850  1.0 1.0
   38    41    48    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    56   0.04150 -1.0 2.0
   39    43    49    72   0.29300  1.0 1.0
   39    43    49    72  -1.19700 -1.0 2.0
   39    43    49    72   0.60900  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    57   0.62750  1.0 1.0
   39    46    50    57  -0.30950 -1.0 2.0
   39    46    50    57   0.27300  1.0 3.0
   39    46    50    58   0.56750  1.0 1.0
   39    46    50    58  -0.07550 -1.0 2.0
   39    46    50    58   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.43200  1.0 3.0
   40    39    46    74   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   43    39    46    74   0.56750  1.0 1.0
   43    39    46    74  -0.07550 -1.0 2.0
   43    39    46    74   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    50   0.56750  1.0 1.0
   43    39    46    50  -0.07550 -1.0 2.0
   43    39    46    50   0.20000  1.0 3.0
   43    49    56    62   3.62500 -1.0 2.0
   43    49    56    63   3.62500 -1.0 2.0
   43    49    72    68   3.62500 -1.0 2.0
   43    49   -72    74   3.62500 -1.0 2.0
   44    43    49    56   0.00000  1.0 1.0
   44    43    49    72   0.00000  1.0 1.0
   45    43    49    56   0.00000  1.0 1.0
   45    43    49    72   0.00000  1.0 1.0
   49    56    62    65   3.00000 -1.0 2.0
   49    56    62    67   3.00000 -1.0 2.0
   49    56    63    86   3.62500 -1.0 2.0
   49    56    63    64   1.52500 -1.0 2.0
   49    72    74    75   0.00000  1.0 1.0
   49    72    74    76   0.00000  1.0 1.0
   49    72    74    46   0.00000  1.0 1.0
   56    49    72    68   3.62500 -1.0 2.0
   56    49    72    74   3.62500 -1.0 2.0
   56    62    65    66   3.50000 -1.0 2.0
   56    62   -65    68   3.50000 -1.0 2.0
   56    62    67    70   3.50000 -1.0 2.0
   56    62   -67    86   3.50000 -1.0 2.0
   62    56   -63    86   3.62500 -1.0 2.0
   62    56    63    64   1.52500 -1.0 2.0
   62    65    68    69   3.62500 -1.0 2.0
   62    65    68    72   3.62500 -1.0 2.0
   62    67    70    71   3.62500 -1.0 2.0
   62    67    70    73   3.62500 -1.0 2.0
   62    67    86    79   3.00000 -1.0 2.0
   62    67   -86    63   3.00000 -1.0 2.0
   65    62    67    70   3.62500 -1.0 2.0
   65    62    67    86   3.50000 -1.0 2.0
   65    68   -72    49   3.62500 -1.0 2.0
   65    68    72    74   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    72   3.62500 -1.0 2.0
   68    72    74    75   0.00000  1.0 1.0
   68    72    74    76   0.00000  1.0 1.0
   68    72    74    46   0.00000  1.0 1.0
   69    68    72    49   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    49   -56    62   3.62500 -1.0 2.0
   72    49    56    63   3.62500 -1.0 2.0
   72    74   -46    39   0.56750  1.0 1.0
   72    74   -46    39  -0.07550 -1.0 2.0
   72    74   -46    39   0.20000  1.0 3.0
   72    74    46    47   0.15000  1.0 3.0
   72    74    46    50   0.56750  1.0 1.0
   72    74    46    50  -0.07550 -1.0 2.0
   72    74    46    50   0.20000  1.0 3.0
   74    46    50    51   0.15000  1.0 3.0
   74    46    50    57   0.62750  1.0 1.0
   74    46    50    57  -0.30950 -1.0 2.0
   74    46    50    57   0.27300  1.0 3.0
   74    46    50    58   0.56750  1.0 1.0
   74    46    50    58  -0.07550 -1.0 2.0
   74    46    50    58   0.20000  1.0 3.0
   75    74    46    39   0.15000  1.0 3.0
   75    74    46    47   0.15000  1.0 3.0
   75    74    46    50   0.15000  1.0 3.0
   76    74    46    39   0.15000  1.0 3.0
   76    74    46    47   0.15000  1.0 3.0
   76    74    46    50   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39   -43    49  -0.03700  1.0 1.0
   46    39   -43    49   0.37200 -1.0 2.0
   46    39   -43    49  -0.47300  1.0 3.0
   46    50   -57    33   0.06250  1.0 1.0
   46    50   -57    33  -0.01100 -1.0 2.0
   46    50   -57    33   0.28050  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    60   0.15000  1.0 3.0
   46    50    58    61   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    57   0.23400  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   57    33   -38    39   0.09700  1.0 1.0
   57    33   -38    39   0.15600 -1.0 2.0
   57    33   -38    39  -0.50800  1.0 3.0
   57    33    38    41   0.39000  1.0 1.0
   57    33    38    41  -0.05800 -1.0 2.0
   57    33    38    41  -0.55150  1.0 3.0
   57    50    58    59   0.23400  1.0 3.0
   57    50    58    60   0.23400  1.0 3.0
   57    50    58    61   0.23400  1.0 3.0
   58    50    57    33   0.06250  1.0 1.0
   58    50    57    33  -0.01100 -1.0 2.0
   58    50    57    33   0.28050  1.0 3.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    68   3.62500 -1.0 2.0
   67    70    73    77   3.62500 -1.0 2.0
   67    70    73    78   3.62500 -1.0 2.0
   67    86   -63    56   3.62500 -1.0 2.0
   67    86    63    64   1.52500 -1.0 2.0
   70    67    86    79   3.00000 -1.0 2.0
   70    67    86    63   3.00000 -1.0 2.0
   70    73   -77    79   3.62500 -1.0 2.0
   70    73    77    81   3.62500 -1.0 2.0
   70    73    78    82   1.63200 -1.0 2.0
   71    70    73    77   3.62500 -1.0 2.0
   71    70    73    78   3.62500 -1.0 2.0
   73    77    79    80   3.62500 -1.0 2.0
   73    77    79    86   3.62500 -1.0 2.0
   73    77    81    87   1.63200 -1.0 2.0
   73    78    82    83   0.08050  1.0 3.0
   73    78    82    84   0.08050  1.0 3.0
   73    78    82    85   0.08050  1.0 3.0
   77    73    78    82   1.63200 -1.0 2.0
   77    79   -86    67   3.62500 -1.0 2.0
   77    79    86    63   3.62500 -1.0 2.0
   77    81    87    88   0.08050  1.0 3.0
   77    81    87    89   0.08050  1.0 3.0
   77    81    87    90   0.08050  1.0 3.0
   79    77    81    87   1.63200 -1.0 2.0
   79    86    63    56   3.62500 -1.0 2.0
   79    86    63    64   1.52500 -1.0 2.0
   80    79    86    67   3.62500 -1.0 2.0
   80    79    86    63   3.62500 -1.0 2.0
   86    67    70    71   3.50000 -1.0 2.0
   86    67   -70    73   3.50000 -1.0 2.0
   63    56    62    65   3.00000 -1.0 2.0
   63    56   -62    67   3.00000 -1.0 2.0
   81    77    79    80   3.62500 -1.0 2.0
   81    77    79    86   3.62500 -1.0 2.0
   78    73    77    79   3.62500 -1.0 2.0
   78    73    77    81   3.62500 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    52    53   0.08050  1.0 3.0
   41    48    52    54   0.08050  1.0 3.0
   41    48    52    55   0.08050  1.0 3.0
   42    41    48    52   2.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   56    72    49    43   4.00000 -1.0 2.0
   62    63    56    49   4.00000 -1.0 2.0
   65    67    62    56   4.00000 -1.0 2.0
   68    66    65    62   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   68    74    72    49   4.00000 -1.0 2.0
   70    86    67    62   4.00000 -1.0 2.0
   73    71    70    67   1.10000 -1.0 2.0
   77    78    73    70   4.00000 -1.0 2.0
   79    81    77    73   4.00000 -1.0 2.0
   86    80    79    77   1.10000 -1.0 2.0
   79    63    86    67   4.00000 -1.0 2.0
   64    56    63    86   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
