* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    245     484
    1     0 S   NP   _N1_     1    29.25170    94.87672   -25.60897
    2     1 S   H    _HN1     2     1.02957    83.67215    -3.69851
    3     1 S   H    _H1_     3     1.02835    23.41125   179.40193
    4     1 S   H    _H2_     4     1.02776   117.96585  -111.12909
    5     1 S   CT   _CA1     5     1.50127   119.63996   106.18850
    6     5 S   HC   _HA1     6     1.09574   105.21910    83.17680
    7     5 S   CO3  _C1_     7     1.53789   112.36929   -37.02417
    8     7 S   O2Z  _O11     8     1.26366   114.99687   -43.75586
    9     7 S   O2Z  _O12     9     1.26236   114.93402   135.36100
   10     5 S   CT   _CB1    10     1.53095   107.42450  -158.90217
   11    10 S   HC   HB11    11     1.09826   109.34550   -50.46439
   12    10 S   HC   HB12    12     1.09816   110.42084    66.09770
   13    10 S   CT   _CG1    13     1.53014   112.66203  -171.53397
   14    13 S   HC   HG11    14     1.09595   110.48610   -64.19084
   15    13 S   HC   HG12    15     1.09656   109.92276    55.00730
   16    13 S   C    _CD1    16     1.51839   112.32754   175.38871
   17    16 S   O    _OE1    17     1.22743   123.27032     0.11535
   18    16 S   N    _N2_    18     1.38538   111.67326  -179.92087
   19    18 S   H    _HN2    19     1.01556   119.06032     4.57457
   20    18 S   CT1  _CA2    20     1.45962   122.98109   178.05358
   21    20 S   HC   _HA2    21     1.09664   108.95117    23.47680
   22    20 S   C    _C2_    22     1.52839   106.11674   -93.96804
   23    22 S   O    _O2_    23     1.23068   122.64721   -34.12999
   24    20 S   CT   _CB2    32     1.53188   112.14753   146.70161
   25    24 S   HC   HB21    33     1.09609   110.11677    56.74200
   26    24 S   HC   HB22    34     1.09372   110.26846   175.58998
   27    22 S   N    _N3_    24     1.38440   113.13209   148.24075
   28    27 S   H    _HN3    25     1.01835   120.33016    -0.62087
   29    24 S   S    _SG2    35     1.82724   111.12886   -63.49591
   30    27 S   CT   _CA3    26     1.45403   122.01110   179.06749
   31    30 S   HC   HA31    27     1.09592   107.37059   -60.55863
   32    30 S   HC   HA32    28     1.09571   107.86331    55.52811
   33    29 S   CT   _C25    36     1.83661    99.46554   178.45668
   34    33 S   HC   _H3_    37     1.09488   106.45737   -32.54926
   35    30 S   CO3  _C3_    29     1.52817   114.86626   177.34215
   36    35 S   O2Z  _O31    30     1.26247   116.23110   -12.12532
   37    35 S   O2Z  _O32    31     1.26479   114.36183   168.03208
   38    33 S   CM   _C11    38     1.53544   110.89946    88.71888
   39    33 S   CT   _C24    89     1.53098   109.06633  -146.01506
   40    39 S   HC   _H54    90     1.09509   113.00550   -55.64222
   41    39 S   HC   _H55    91     1.09595   110.58693  -176.58924
   42    39 S   HC   _H56    92     1.09649   110.66323    64.82288
   43    38 S   CMA  _C12    39     1.36859   122.11379  -117.99470
   44    43 S   OM   _O23    40     1.26918   124.92885    -1.88824
   45    38 S   CT   _C22    85     1.51769   115.49117    63.20283
   46    45 S   HC   _H48    86     1.09413   110.58847   -76.80027
   47    45 S   HC   _H49    87     1.09286   113.25328   162.05784
   48    45 S   HC   _H50    88     1.09319   111.38506    43.82458
   49    43 S   OS   _O28    41     1.41997   111.93437   179.84051
   50    49 S   CT   _C19    42     1.44203   117.31278  -142.52980
   51    50 S   HC   _H41    43     1.09741   109.93718   -25.79451
   52    50 S   CT   _C16    44     1.56145   109.51074  -139.03690
   53    52 S   HC   _H38    45     1.09865   105.45421   162.48876
   54    50 S   CT   _C18    59     1.56177   111.37199    95.09906
   55    54 S   HC   _H40    60     1.09866   108.06071   161.78204
   56    52 S   CM   _C6_    46     1.51873   117.75027   -77.74433
   57    54 S   CM   _C8_    61     1.49497   113.15034   -79.51451
   58    52 S   OH   _O27    83     1.42824   110.02587    49.26544
   59    58 S   HO   _H58    84     0.97192   107.86991  -176.81555
   60    56 S   CM   _C4_    47     1.34678   121.24645    56.16379
   61    60 S   HC   _H31    48     1.08864   118.37576     5.38278
   62    57 S   CO4  _C9_    62     1.47003   110.82693   121.84197
   63    62 S   O    _O24    63     1.21780   127.08979  -176.89928
   64    57 S   CM   _C10    65     1.33678   127.77782   -60.37192
   65    64 S   HC   _H33    66     1.08470   120.97112     1.10074
   66    64 S   HC   _H34    67     1.08371   121.91012  -178.91178
   67    56 S   CT   _C20    79     1.50674   114.14030  -119.97894
   68    67 S   HC   _H42    80     1.09536   109.78317   -60.61211
   69    67 S   HC   _H43    81     1.09124   113.94202   179.36696
   70    67 S   HC   _H44    82     1.09508   110.25310    58.62825
   71    60 S   CT   _C14    49     1.50323   127.26334  -167.94877
   72    71 S   HC   _H35    50     1.09689   107.17601  -143.67991
   73    71 S   HC   _H36    51     1.09382   111.83288   -28.11789
   74    87 S   OS   _O26    64     1.44216   107.14022   118.08666
   75    71 S   CT   _C17    52     1.54754   112.29425    95.79284
   76    75 S   HC   _H39    53     1.09871   107.51164  -178.32392
   77    75 S   CM   _C7_    54     1.52914   114.12413   -59.96215
   78    75 S   OS   _O29    72     1.44567   110.80733    65.02432
   79    77 S   CM   _C5_    55     1.35181   127.53594    84.83498
   80    79 S   HC   _H32    56     1.09051   117.44316   178.47018
   81    77 S   CT   _C21    68     1.51064   113.56414   -95.33725
   82    81 S   HC   _H45    69     1.09498   110.25348   -62.06804
   83    81 S   HC   _H46    70     1.09510   112.61328   177.76910
   84    81 S   HC   _H47    71     1.09500   110.18986    57.82285
   85    78 S   CO4  _C13    73     1.36228   117.60193    82.73994
   86    85 S   O    _O25    74     1.22364   126.38671    -1.41886
   87    79 S   CT   _C15    57     1.50975   129.10329    -3.19966
   88    87 S   HC   _H37    58     1.08613   110.95361     3.36499
   89    85 S   CT   _C23    75     1.49823   109.87921  -179.84549
   90    89 S   HC   _H51    76     1.09361   110.32525   -38.32100
   91    89 S   HC   _H52    77     1.09367   109.24221  -156.55533
   92    89 S   HC   _H53    78     1.09188   109.59289    83.38024
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  15   6  15   7  12   9   3   1  12   5   8   3   4
   1   1   4   2   1   1   9   5   4   5  13   5  10   8   7   3
   4   2   1   1   5   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    56    87    54    55    57    58  
   51    52    53    56    60    79    87    88    54    55    57    62    74    64    67    58    59  
   52    53    56    87    54    55    57    58  
   53    56    60    61    71    87    54    55    57    67    68    69    70    58    59  
   56    60    54    67    58    59  
   55    57    62    63    74    64    65    66    58    56    77    79    80    87    88  
   57    62    74    64    79    87    88  
   60    61    71    72    73    75    67    68    69    70    58    59  
   62    63    74    64    65    66    79    87    88  
   59    60    67  
    0  
   61    71    72    73    75    76    77    78    67    68    69    70  
   71    72    73    75    67  
   63    74    64    65    66    79    87    88  
   74    64    87  
   65    66    74    87  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    75    76    77    79    81    78    85  
   73    75    76    77    78  
   75    76    77    78  
   77    79    80    87    88  
   76    77    79    80    87    81    82    83    84    78    85    86    89  
   77    79    81    78    85  
   79    80    87    88    81    82    83    84    78    85  
   85    86    89    90    91    92    79    81  
   80    87    88    81    82    83    84  
   87    88    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    91    92  
   89    90    91    92  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   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    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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    58   320.000  1.410
   56    60   549.000  1.340
   56    67   317.000  1.510
   60    61   340.000  1.080
   60    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.510
   75    78   320.000  1.410
   77    79   549.000  1.340
   77    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    54   268.000  1.529
   87    74   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    62   320.000  1.462
   57    64   549.000  1.340
   62    63   570.000  1.229
   62    74   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   78    85   214.000  1.327
   85    86   570.000  1.229
   85    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   58    59   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    52    58    50.00000  109.50000
   50    54    87    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    56    60    70.00000  124.00000
   52    56    67    65.00000  117.92700
   52    58    59    55.00000  108.50000
   56    52    53    35.00000  109.50000
   56    60    61    35.00000  120.00000
   56    60    71    70.00000  124.00000
   56    67    68    35.00000  109.50000
   56    67    69    35.00000  109.50000
   56    67    70    35.00000  109.50000
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   60    71    75    70.00000  112.02700
   71    60    61    35.00000  117.00000
   71    75    76    37.50000  110.70000
   71    75    77    70.00000  112.02700
   71    75    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    77    79    70.00000  124.00000
   75    77    81    65.00000  117.92700
   75    78    85    83.00000  116.90000
   77    75    76    35.00000  109.50000
   77    79    80    35.00000  120.00000
   77    79    87    70.00000  124.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    54    70.00000  112.02700
   79    87    74    85.00000  110.90400
   87    79    80    35.00000  117.00000
   87    54    55    37.50000  110.70000
   87    54    57    70.00000  112.02700
   87    74    62    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    87    88    37.50000  110.70000
   54    57    62    65.00000  116.34900
   54    57    64    70.00000  124.00000
   57    54    55    35.00000  109.50000
   57    62    63    80.00000  123.72100
   57    62    74    90.00000  111.29400
   57    64    65    35.00000  120.00000
   57    64    66    35.00000  120.00000
   74    87    88    35.00000  109.50000
   74    87    54    50.00000  109.50000
   74    62    63    83.00000  123.40000
   64    57    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   81    77    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    85.00000  110.90400
   78    85    86    83.00000  123.40000
   78    85    89    81.00000  111.40000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   89    85    86    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   67    56    60    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    56    90.00000  110.39200
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    56   0.61850  1.0 1.0
   49    50    52    56  -0.22750 -1.0 2.0
   49    50    52    56   0.15300  1.0 3.0
   49    50    52    58   3.69350  1.0 1.0
   49    50    52    58  -1.82950 -1.0 2.0
   49    50    54    87   0.62750  1.0 1.0
   49    50    54    87  -0.30950 -1.0 2.0
   49    50    54    87   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    57   0.61850  1.0 1.0
   49    50    54    57  -0.22750 -1.0 2.0
   49    50    54    57   0.15300  1.0 3.0
   50    52    56    60   0.09850  1.0 1.0
   50    52    56    60   0.15250 -1.0 2.0
   50    52    56    60  -0.50650  1.0 3.0
   50    52    56    67   0.46850  1.0 1.0
   50    52    56    67   0.08550 -1.0 2.0
   50    52    56    67   0.09800  1.0 3.0
   50    52    58    59  -0.11600  1.0 1.0
   50    52    58    59  -0.09450 -1.0 2.0
   50    52    58    59   0.21250  1.0 3.0
   50    54    57    62   0.09700  1.0 1.0
   50    54    57    62   0.15600 -1.0 2.0
   50    54    57    62  -0.50800  1.0 3.0
   50    54    57    64   0.09850  1.0 1.0
   50    54    57    64   0.15250 -1.0 2.0
   50    54    57    64  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    58   0.23400  1.0 3.0
   51    50    54    87   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    87   0.56750  1.0 1.0
   52    50    54    87  -0.07550 -1.0 2.0
   52    50    54    87   0.20000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.34400  1.0 1.0
   52    50    54    57   0.09450 -1.0 2.0
   52    50    54    57   0.11100  1.0 3.0
   52    56    60    61   7.00000 -1.0 2.0
   52    56    60    71   7.00000 -1.0 2.0
   52    56    67    68   0.34800  1.0 3.0
   52    56    67    69   0.34800  1.0 3.0
   52    56    67    70   0.34800  1.0 3.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    67   0.34800  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   56    52    58    59  -0.07800  1.0 1.0
   56    52    58    59  -0.21500 -1.0 2.0
   56    52    58    59  -0.03150  1.0 3.0
   56    60    71    72   0.00000  1.0 1.0
   56    60    71    73   0.00000  1.0 1.0
   56    60    71    75   0.09850  1.0 1.0
   56    60    71    75   0.15250 -1.0 2.0
   56    60    71    75  -0.50650  1.0 3.0
   60    56    67    68   0.00000  1.0 1.0
   60    56    67    69   0.00000  1.0 1.0
   60    56    67    70   0.00000  1.0 1.0
   60    71    75    76   0.15000  1.0 3.0
   60    71    75    77   0.31000  1.0 1.0
   60    71    75    77   0.14700 -1.0 2.0
   60    71    75    77   0.07550  1.0 3.0
   60    71    75    78   0.61850  1.0 1.0
   60    71    75    78  -0.22750 -1.0 2.0
   60    71    75    78   0.15300  1.0 3.0
   61    60    71    72   0.33100  1.0 3.0
   61    60    71    73   0.33100  1.0 3.0
   61    60    71    75   0.00000  1.0 1.0
   71    75    77    79   0.09850  1.0 1.0
   71    75    77    79   0.15250 -1.0 2.0
   71    75    77    79  -0.50650  1.0 3.0
   71    75    77    81   0.46850  1.0 1.0
   71    75    77    81   0.08550 -1.0 2.0
   71    75    77    81   0.09800  1.0 3.0
   71    75    78    85  -0.25900  1.0 1.0
   71    75    78    85  -0.47000 -1.0 2.0
   71    75    78    85   0.11750  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.23400  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.23400  1.0 3.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    87   7.00000 -1.0 2.0
   75    77    81    82   0.34800  1.0 3.0
   75    77    81    83   0.34800  1.0 3.0
   75    77    81    84   0.34800  1.0 3.0
   75    78    85    86   3.00000 -1.0 2.0
   75    78    85    89   1.63150  1.0 1.0
   75    78    85    89   2.92000 -1.0 2.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    81   0.34800  1.0 3.0
   76    75    78    85   0.08050  1.0 3.0
   77    75    78    85  -0.82050  1.0 1.0
   77    75    78    85   0.00600 -1.0 2.0
   77    75    78    85   0.04400  1.0 3.0
   77    79    87    88   0.00000  1.0 1.0
   77    79    87    54   0.09850  1.0 1.0
   77    79    87    54   0.15250 -1.0 2.0
   77    79    87    54  -0.50650  1.0 3.0
   77    79    87    74   0.39000  1.0 1.0
   77    79    87    74  -0.05800 -1.0 2.0
   77    79    87    74  -0.55150  1.0 3.0
   79    77    81    82   0.00000  1.0 1.0
   79    77    81    83   0.00000  1.0 1.0
   79    77    81    84   0.00000  1.0 1.0
   79    87    54    50   0.34400  1.0 1.0
   79    87    54    50   0.09450 -1.0 2.0
   79    87    54    50   0.11100  1.0 3.0
   79    87    54    55   0.15000  1.0 3.0
   79    87    54    57   0.31000  1.0 1.0
   79    87    54    57   0.14700 -1.0 2.0
   79    87    54    57   0.07550  1.0 3.0
   79    87    74    62  -0.82050  1.0 1.0
   79    87    74    62   0.00600 -1.0 2.0
   79    87    74    62   0.04400  1.0 3.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    54   0.00000  1.0 1.0
   80    79    87    74   0.00000  1.0 1.0
   87    54   -57    62   0.09700  1.0 1.0
   87    54   -57    62   0.15600 -1.0 2.0
   87    54   -57    62  -0.50800  1.0 3.0
   87    54    57    64   0.09850  1.0 1.0
   87    54    57    64   0.15250 -1.0 2.0
   87    54    57    64  -0.50650  1.0 3.0
   88    87    54    50   0.15000  1.0 3.0
   88    87    54    55   0.15000  1.0 3.0
   88    87    54    57   0.15000  1.0 3.0
   88    87    74    62   0.08050  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.34400  1.0 1.0
   54    50    52    56   0.09450 -1.0 2.0
   54    50    52    56   0.11100  1.0 3.0
   54    50    52    58   0.86500  1.0 1.0
   54    50    52    58  -0.17500 -1.0 2.0
   54    50    52    58   0.20800  1.0 3.0
   54    87   -74    62  -0.25900  1.0 1.0
   54    87   -74    62  -0.47000 -1.0 2.0
   54    87   -74    62   0.11750  1.0 3.0
   54    57    62    63  -0.64400  1.0 1.0
   54    57    62    63   0.26850 -1.0 2.0
   54    57   -62    74  -0.15000  1.0 1.0
   54    57   -62    74   0.89550 -1.0 2.0
   54    57   -62    74  -0.06900  1.0 3.0
   54    57    64    65   7.00000 -1.0 2.0
   54    57    64    66   7.00000 -1.0 2.0
   55    54    57    62   0.15000  1.0 3.0
   55    54    57    64   0.00000  1.0 1.0
   57    62   -74    87   2.00000 -1.0 2.0
   62    57    64    65   7.00000 -1.0 2.0
   62    57    64    66   7.00000 -1.0 2.0
   63    62    74    87   3.00000 -1.0 2.0
   74    87    54    50   0.62750  1.0 1.0
   74    87    54    50  -0.30950 -1.0 2.0
   74    87    54    50   0.27300  1.0 3.0
   74    87    54    55   0.23400  1.0 3.0
   74    87   -54    57   0.61850  1.0 1.0
   74    87   -54    57  -0.22750 -1.0 2.0
   74    87   -54    57   0.15300  1.0 3.0
   64    57    62    63   1.00000 -1.0 2.0
   64    57    62    74  -0.56150  1.0 1.0
   64    57    62    74   2.19150 -1.0 2.0
   81    77    79    80   7.00000 -1.0 2.0
   81    77    79    87   7.00000 -1.0 2.0
   78    75    77    79   0.39000  1.0 1.0
   78    75    77    79  -0.05800 -1.0 2.0
   78    75    77    79  -0.55150  1.0 3.0
   78    75    77    81   0.09700  1.0 1.0
   78    75    77    81   0.15600 -1.0 2.0
   78    75    77    81  -0.50800  1.0 3.0
   78    85    89    90   0.00000  1.0 1.0
   78    85    89    91   0.00000  1.0 1.0
   78    85    89    92   0.00000  1.0 1.0
   86    85    89    90   0.00000  1.0 1.0
   86    85    89    91   0.00000  1.0 1.0
   86    85    89    92   0.00000  1.0 1.0
   67    56    60    61   7.00000 -1.0 2.0
   67    56    60    71   7.00000 -1.0 2.0
   58    52    56    60   0.67800  1.0 1.0
   58    52    56    60   0.47050 -1.0 2.0
   58    52    56    60  -0.62500  1.0 3.0
   58    52    56    67   0.18000  1.0 1.0
   58    52    56    67   0.16450 -1.0 2.0
   58    52    56    67   0.04450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   52    67    56    60   1.10000 -1.0 2.0
   71    61    60    56   1.10000 -1.0 2.0
   75    81    77    79   1.10000 -1.0 2.0
   87    80    79    77   1.10000 -1.0 2.0
   54    62    57    64   1.10000 -1.0 2.0
   57    74    62    63  10.50000 -1.0 2.0
   65    66    64    57   1.10000 -1.0 2.0
   78    89    85    86  10.50000 -1.0 2.0
END
