* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    165    247     467
    1     0 S   NP   _N1_     1    28.58795    95.32611   -25.71303
    2     1 S   H    _HN1     2     1.02947    66.53325    22.81848
    3     1 S   H    _H1_     3     1.02827    40.85666  -164.64737
    4     1 S   H    _H2_     4     1.02793   115.98618   -77.01453
    5     1 S   CT   _CA1     5     1.50123   129.87670   120.46011
    6     5 S   HC   _HA1     6     1.09575   105.16100   101.68314
    7     5 S   CO3  _C1_     7     1.53759   112.49642   -18.51239
    8     7 S   O2Z  _O11     8     1.26372   115.00273   -42.02017
    9     7 S   O2Z  _O12     9     1.26237   114.93861   137.03032
   10     5 S   CT   _CB1    10     1.53065   107.41481  -140.35782
   11    10 S   HC   HB11    11     1.09840   109.29278   -49.62109
   12    10 S   HC   HB12    12     1.09811   110.48412    66.96297
   13    10 S   CT   _CG1    13     1.53022   112.65317  -170.57717
   14    13 S   HC   HG11    14     1.09571   110.72000   -67.74723
   15    13 S   HC   HG12    15     1.09672   109.70255    51.49950
   16    13 S   C    _CD1    16     1.51811   112.02918   171.95055
   17    16 S   O    _OE1    17     1.22750   123.20277    11.82713
   18    16 S   N    _N2_    18     1.38658   111.81068  -168.14403
   19    18 S   H    _HN2    19     1.01575   118.94143     1.21128
   20    18 S   CT1  _CA2    20     1.46224   123.34958   176.18957
   21    20 S   HC   _HA2    21     1.09736   109.35413     6.84556
   22    20 S   C    _C2_    22     1.53661   108.67021  -108.65814
   23    22 S   O    _O2_    23     1.23074   122.25070  -147.81403
   24    20 S   CT   _CB2    32     1.53377   111.61980   128.97019
   25    24 S   HC   HB21    33     1.09445   109.79698    56.92534
   26    24 S   HC   HB22    34     1.09471   109.74360   175.66975
   27    22 S   N    _N3_    24     1.38308   113.82160    39.59435
   28    27 S   H    _HN3    25     1.01550   119.63348    -3.03848
   29    24 S   S    _SG2    35     1.82866   111.34117   -65.04763
   30    27 S   CT   _CA3    26     1.45290   123.29444   177.30666
   31    30 S   HC   HA31    27     1.09546   107.49234   -65.37640
   32    30 S   HC   HA32    28     1.09554   108.02575    51.09451
   33    29 S   CT   _C18    36     1.86176   101.36944   168.07015
   34    30 S   CO3  _C3_    29     1.52981   114.01974   173.10209
   35    34 S   O2Z  _O31    30     1.26387   116.06348    -0.68870
   36    34 S   O2Z  _O32    31     1.26422   114.42484   179.37317
   37    33 S   CM   _C4_    37     1.52415   107.13007   176.31124
   38    33 S   CT   _C21    87     1.53301   110.83439    51.86931
   39    38 S   HC   _H43    88     1.09555   111.56802   -72.58157
   40    38 S   HC   _H44    89     1.09631   111.62017   168.28084
   41    38 S   HC   _H45    90     1.09553   111.95726    48.33959
   42    37 S   CMA  _C5_    38     1.35086   112.57543    99.22909
   43    42 S   OM   _O23    39     1.25732   135.34800  -178.94408
   44    37 S   CT   _C25    75     1.50796   122.31609   -78.22387
   45    44 S   HC   _H55    76     1.09776   109.62334   148.31247
   46    44 S   HC   _H56    77     1.09358   109.54715    33.62997
   47    42 S   CT   _C14    40     1.51304   110.10345     0.21940
   48    47 S   HC   _H35    41     1.09642   112.54142   137.10512
   49    47 S   HC   _H36    42     1.09772   109.88203  -101.29250
   50    44 S   CM   _C10    78     1.50452   112.33517   -92.29261
   51    50 S   HC   _H34    79     1.09024   114.84723   -56.03271
   52    33 S   CT   _C17    43     1.55166   110.69092   -74.37566
   53    52 S   HC   _H39    44     1.09541   112.95882    34.71083
   54    50 S   CM   _C8_    80     1.34250   128.55287   125.11007
   55    54 S   HC   _H32    81     1.08903   117.05876   179.61539
   56    52 S   OS   _O27    45     1.44893   109.40538   155.35098
   57    54 S   CM   _C7_    82     1.44398   126.86191    -0.18238
   58    57 S   HC   _H31    83     1.08495   118.83002     0.35498
   59    56 S   CO4  _C13    46     1.35861   117.58798  -164.69669
   60    59 S   O    _O25    47     1.22225   126.97974     2.17538
   61    57 S   CM   _C6_    84     1.33825   123.03149  -179.61437
   62    61 S   HC   _H29    85     1.08504   120.27237   179.98022
   63    61 S   HC   _H30    86     1.08497   122.12295    -0.00000
   64    59 S   C3T  _C16    48     1.47967   110.91663  -179.49642
   65    64 S   HC   _H38    49     1.08696   112.50841   -85.08641
   66    64 S   C3T  _C15    50     1.51510   119.54348   132.15572
   67    66 S   HC   _H37    51     1.08707   116.48633    -3.63507
   68    64 S   C3T  _C19    52     1.52086   121.63254    61.09805
   69    66 S   CM   _C9_    61     1.47208   119.00328   137.18832
   70    69 S   HC   _H33    62     1.08887   114.37593   -28.94815
   71    68 S   CT   _C22    53     1.51041   120.30231     3.33413
   72    71 S   HC   _H46    54     1.09503   110.42553   -81.62752
   73    71 S   HC   _H47    55     1.09520   110.12641   158.95861
   74    71 S   HC   _H48    56     1.09483   112.45005    39.20299
   75    68 S   CT   _C23    57     1.51006   116.67509  -139.99416
   76    75 S   HC   _H49    58     1.09532   110.09269    90.06056
   77    75 S   HC   _H50    59     1.09503   112.63384   -29.71823
   78    75 S   HC   _H51    60     1.09496   110.36481  -150.59333
   79    69 S   CM   _C11    63     1.34759   126.84511   151.82893
   80    79 S   CO4  _C12    64     1.49386   116.83190   179.92867
   81    80 S   O    _O24    65     1.22286   124.64568    -1.23432
   82    79 S   CT   _C20    71     1.50065   124.07277    -0.12820
   83    82 S   HC   _H40    72     1.09514   110.46694   121.39403
   84    82 S   HC   _H41    73     1.09508   110.41909  -118.32208
   85    82 S   HC   _H42    74     1.09397   112.76811     1.64568
   86    80 S   OS   _O26    66     1.36058   109.72009   178.67234
   87    86 S   CT   _C24    67     1.43096   115.40136  -179.92338
   88    87 S   HC   _H52    68     1.09329   108.09029   179.96574
   89    87 S   HC   _H53    69     1.09424   110.29026    61.28644
   90    87 S   HC   _H54    70     1.09424   110.28814   -61.34391
  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
  18   2   1   1  18   9   3   2   1  11   5   9   4   3   6   4
   3   6   3   5   2   6   3   6   4   3   9   4   2   1   1  15
   6  15   6  11  11   3   7   3   2   1   3   2   1   1   8  10
   3   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    52    53    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    52    53    56    59    44    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    52    53    56    44    45    46    50    51    54    38    39    40    41  
   39    40    41    42    44    47    52    53    56  
   40    41    52  
   41    52  
   52  
   43    47    48    49    52    53    56    44    45    46    50  
   47    48    49    52    44  
   45    46    50    51    54    55    57    47    52  
   46    50    51    54  
   50    51    54  
   48    49    52    53    56    59  
   49    52    53    56  
   52    53    56  
   51    54    55    57    58    61  
   54    55    57  
   53    56    59    60    64  
   56    59  
   55    57    58    61    62    63  
   57    58    61  
   59    60    64    65    66    68  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68    71    75    69  
   64    65    66    68  
   62    63  
   63  
    0  
   65    66    67    68    71    72    73    74    75    76    77    78    69    70    79  
   66    67    68    71    75    69  
   67    68    71    72    73    74    75    76    77    78    69    70    79    80    82  
   68    71    75    69    70    79  
   71    72    73    74    75    76    77    78    69    70    79  
   70    79    80    81    86    82    83    84    85    71    75  
   79    80    82  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    86    87    82    83    84    85  
   81    86    87    88    89    90    82    83    84    85  
   86    87    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   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  1.510
   33    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    59   214.000  1.327
   59    60   570.000  1.229
   59    64   290.000  1.496
   64    65   340.000  1.088
   64    66   260.000  1.509
   64    68   260.000  1.509
   66    67   340.000  1.088
   66    68   260.000  1.509
   66    69   305.000  1.480
   68    71   275.000  1.510
   68    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    70   340.000  1.080
   69    79   549.000  1.340
   79    80   320.000  1.462
   79    82   317.000  1.510
   80    81   570.000  1.229
   80    86   214.000  1.327
   86    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   380.000  1.444
   57    58   340.000  1.080
   57    61   549.000  1.340
   61    62   340.000  1.080
   61    63   340.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    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  112.20000
   29    33    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    50    70.00000  110.12100
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    52    70.00000  112.02700
   47    42    43    85.00000  112.85300
   47    52    53    37.50000  110.70000
   47    52    56    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    56    59    83.00000  116.90000
   56    52    53    35.00000  109.50000
   56    59    60    83.00000  123.40000
   56    59    64    81.00000  111.40000
   59    64    65    40.00000  116.18000
   59    64    66    65.00000  117.18000
   59    64    68    65.00000  117.18000
   64    59    60    75.00000  121.36600
   64    66    67    37.50000  117.20000
   64    66    68    10.00000   60.00500
   64    66    69    60.00000  120.58800
   64    68    66    10.00000   60.00500
   64    68    71    60.00000  120.94000
   64    68    75    60.00000  120.94000
   66    64    65    37.50000  117.20000
   66    68    71    60.00000  120.94000
   66    68    75    60.00000  120.94000
   66    69    70    40.00000  117.24000
   66    69    79    55.00000  125.06700
   68    64    65    37.50000  117.20000
   68    64    66    10.00000   60.00500
   68    66    67    37.50000  117.20000
   68    71    72    45.00000  109.38400
   68    71    73    45.00000  109.38400
   68    71    74    45.00000  109.38400
   68    75    76    45.00000  109.38400
   68    75    77    45.00000  109.38400
   68    75    78    45.00000  109.38400
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    66    67    40.00000  112.45000
   69    66    68    60.00000  120.58800
   69    79    80    65.00000  118.96000
   69    79    82    70.00000  124.00000
   79    69    70    35.00000  120.00000
   79    80    81    80.00000  123.72100
   79    80    86    90.00000  111.29400
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    83.00000  116.90000
   86    80    81    83.00000  123.40000
   86    87    88    35.00000  109.50000
   86    87    89    35.00000  109.50000
   86    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
   82    79    80    65.00000  116.34900
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    50    51    35.00000  117.00000
   44    50    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    61    70.00000  123.01800
   57    54    55    35.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    63    35.00000  120.00000
   61    57    58    35.00000  120.00000
   63    61    62    35.00000  117.00000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    50   0.09700  1.0 1.0
   33    37    44    50   0.15600 -1.0 2.0
   33    37    44    50  -0.50800  1.0 3.0
   33    52    56    59  -0.25900  1.0 1.0
   33    52    56    59  -0.47000 -1.0 2.0
   33    52    56    59   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56   0.61850  1.0 1.0
   37    33    52    56  -0.22750 -1.0 2.0
   37    33    52    56   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.09850  1.0 1.0
   37    42   -47    52   0.15250 -1.0 2.0
   37    42   -47    52  -0.50650  1.0 3.0
   37    44    50    51   0.00000  1.0 1.0
   37    44    50    54  -0.28300  1.0 1.0
   37    44    50    54   0.26700 -1.0 2.0
   37    44    50    54  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    50  -0.28300  1.0 1.0
   42    37    44    50   0.26700 -1.0 2.0
   42    37    44    50  -0.63300  1.0 3.0
   42    47   -52    33   0.34400  1.0 1.0
   42    47   -52    33   0.09450 -1.0 2.0
   42    47   -52    33   0.11100  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    56   0.61850  1.0 1.0
   42    47    52    56  -0.22750 -1.0 2.0
   42    47    52    56   0.15300  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    52    56    59  -0.25900  1.0 1.0
   47    52    56    59  -0.47000 -1.0 2.0
   47    52    56    59   0.11750  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.23400  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    56   0.23400  1.0 3.0
   52    33   -37    42   0.09850  1.0 1.0
   52    33   -37    42   0.15250 -1.0 2.0
   52    33   -37    42  -0.50650  1.0 3.0
   52    33    37    44   0.46850  1.0 1.0
   52    33    37    44   0.08550 -1.0 2.0
   52    33    37    44   0.09800  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33    38    41   0.15000  1.0 3.0
   52    56    59    60   3.00000 -1.0 2.0
   52    56    59    64   1.63150  1.0 1.0
   52    56    59    64   2.92000 -1.0 2.0
   53    52    56    59   0.08050  1.0 3.0
   56    59    64    65   0.00000  1.0 1.0
   56    59    64    66   0.36750  1.0 3.0
   56    59    64    68   0.36750  1.0 3.0
   59    64    66    67   0.15000  1.0 3.0
   59    64   -66    68  -0.95700  1.0 1.0
   59    64   -66    68  -0.18200 -1.0 2.0
   59    64   -66    68   0.29450  1.0 3.0
   59    64    66    69  -0.98800  1.0 1.0
   59    64    66    69   0.48800 -1.0 2.0
   59    64    66    69   0.76800  1.0 3.0
   59    64   -68    66  -0.95700  1.0 1.0
   59    64   -68    66  -0.18200 -1.0 2.0
   59    64   -68    66   0.29450  1.0 3.0
   59    64    68    71  -0.95700  1.0 1.0
   59    64    68    71  -0.18200 -1.0 2.0
   59    64    68    71   0.29450  1.0 3.0
   59    64    68    75  -0.95700  1.0 1.0
   59    64    68    75  -0.18200 -1.0 2.0
   59    64    68    75   0.29450  1.0 3.0
   60    59    64    65   0.50000  1.0 3.0
   60    59    64    66   0.30150 -1.0 2.0
   60    59    64    68   0.30150 -1.0 2.0
   64    66   -68    71   0.07850  1.0 1.0
   64    66   -68    71  -0.03950 -1.0 2.0
   64    66   -68    71   0.67350  1.0 3.0
   64    66   -68    75   0.07850  1.0 1.0
   64    66   -68    75  -0.03950 -1.0 2.0
   64    66   -68    75   0.67350  1.0 3.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    79   0.09850  1.0 1.0
   64    66    69    79   0.15250 -1.0 2.0
   64    66    69    79  -0.50650  1.0 3.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    74   0.15000  1.0 3.0
   64    68    75    76   0.15000  1.0 3.0
   64    68    75    77   0.15000  1.0 3.0
   64    68    75    78   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64   -66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64   -68    66   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    68    75   0.15000  1.0 3.0
   66    64   -68    71   0.07850  1.0 1.0
   66    64   -68    71  -0.03950 -1.0 2.0
   66    64   -68    71   0.67350  1.0 3.0
   66    64   -68    75   0.07850  1.0 1.0
   66    64   -68    75  -0.03950 -1.0 2.0
   66    64   -68    75   0.67350  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68    71    74   0.15000  1.0 3.0
   66    68    75    76   0.15000  1.0 3.0
   66    68    75    77   0.15000  1.0 3.0
   66    68    75    78   0.15000  1.0 3.0
   66    69    79    80   7.00000 -1.0 2.0
   66    69    79    82   7.00000 -1.0 2.0
   67    66   -68    64   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    75   0.15000  1.0 3.0
   67    66    69    70   0.33100  1.0 3.0
   67    66    69    79   0.00000  1.0 1.0
   68    64   -66    67   0.15000  1.0 3.0
   68    64   -66    69   0.34400  1.0 1.0
   68    64   -66    69   0.09450 -1.0 2.0
   68    64   -66    69   0.11100  1.0 3.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    79   0.09850  1.0 1.0
   68    66    69    79   0.15250 -1.0 2.0
   68    66    69    79  -0.50650  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
   69    66   -68    64   0.34400  1.0 1.0
   69    66   -68    64   0.09450 -1.0 2.0
   69    66   -68    64   0.11100  1.0 3.0
   69    66    68    71   0.34400  1.0 1.0
   69    66    68    71   0.09450 -1.0 2.0
   69    66    68    71   0.11100  1.0 3.0
   69    66    68    75   0.34400  1.0 1.0
   69    66    68    75   0.09450 -1.0 2.0
   69    66    68    75   0.11100  1.0 3.0
   69    79    80    81   1.00000 -1.0 2.0
   69    79    80    86  -0.56150  1.0 1.0
   69    79    80    86   2.19150 -1.0 2.0
   69    79    82    83   0.00000  1.0 1.0
   69    79    82    84   0.00000  1.0 1.0
   69    79    82    85   0.00000  1.0 1.0
   70    69    79    80   7.00000 -1.0 2.0
   70    69    79    82   7.00000 -1.0 2.0
   79    80    86    87   2.00000 -1.0 2.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   80    86    87    88   0.08050  1.0 3.0
   80    86    87    89   0.08050  1.0 3.0
   80    86    87    90   0.08050  1.0 3.0
   81    80    86    87   3.00000 -1.0 2.0
   82    79    80    81  -0.64400  1.0 1.0
   82    79    80    81   0.26850 -1.0 2.0
   82    79    80    86  -0.15000  1.0 1.0
   82    79    80    86   0.89550 -1.0 2.0
   82    79    80    86  -0.06900  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    50    54    55   7.00000 -1.0 2.0
   44    50    54    57   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    54   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    54   0.00000  1.0 1.0
   50    54    57    58  -0.18600  1.0 3.0
   50    54    57    61   0.28850  1.0 1.0
   50    54    57    61   2.61350 -1.0 2.0
   50    54    57    61   0.78400  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   54    57    61    62   7.00000 -1.0 2.0
   54    57    61    63   7.00000 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    61  -0.18600  1.0 3.0
   58    57    61    62   7.00000 -1.0 2.0
   58    57    61    63   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   56    64    59    60  10.50000 -1.0 2.0
   66    70    69    79  15.00000 -1.0 2.0
   80    82    79    69  15.00000 -1.0 2.0
   79    86    80    81  10.50000 -1.0 2.0
   44    51    50    54  15.00000 -1.0 2.0
   57    55    54    50  15.00000 -1.0 2.0
   54    58    57    61  15.00000 -1.0 2.0
   62    63    61    57  15.00000 -1.0 2.0
END
