* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    154    224     440
    1     0 S   NP   _N1_     1    29.54939    93.36804   -25.18272
    2     1 S   H    _HN1     2     1.02830    20.85927  -167.74882
    3     1 S   H    _H1_     3     1.02790   116.40746   -97.61839
    4     1 S   H    _H2_     4     1.02949    86.22022    11.01548
    5     1 S   CT   _CA1     5     1.50106   119.54746   122.38110
    6     5 S   HC   _HA1     6     1.09571   105.20338    80.15256
    7     5 S   CO3  _C1_     7     1.53775   112.47746   -40.12006
    8     7 S   O2Z  _O11     8     1.26370   115.00593   -42.72347
    9     7 S   O2Z  _O12     9     1.26237   114.94184   136.42987
   10     5 S   CT   _CB1    10     1.53059   107.42187  -161.84819
   11    10 S   HC   HB11    11     1.09838   109.37685   -49.73204
   12    10 S   HC   HB12    12     1.09815   110.44207    66.86238
   13    10 S   CT   _CG1    13     1.53005   112.62132  -170.70921
   14    13 S   HC   HG11    14     1.09576   110.67172   -65.77337
   15    13 S   HC   HG12    15     1.09664   109.78996    53.50846
   16    13 S   C    _CD1    16     1.51748   112.09569   173.98021
   17    16 S   O    _OE1    17     1.22750   123.18051     8.28001
   18    16 S   N    _N2_    18     1.38640   111.76141  -171.98487
   19    18 S   H    _HN2    19     1.01560   119.10492     1.28283
   20    18 S   CT1  _CA2    20     1.46027   123.12393   177.11853
   21    20 S   HC   _HA2    21     1.09348   109.08842     1.78334
   22    20 S   C    _C2_    22     1.53274   107.34383  -112.60671
   23    22 S   O    _O2_    23     1.22967   122.79955  -133.59557
   24    20 S   CT   _CB2    32     1.53200   112.15678   124.54936
   25    24 S   HC   HB21    33     1.09669   109.45032    61.20488
   26    24 S   HC   HB22    34     1.09476   111.09120   178.14734
   27    22 S   N    _N3_    24     1.38510   112.98823    52.80719
   28    27 S   H    _HN3    25     1.01612   119.60623    -3.06107
   29    24 S   S    _SG2    35     1.83080   114.53380   -57.83902
   30    27 S   CT   _CA3    26     1.45240   123.05094   175.57260
   31    30 S   HC   HA31    27     1.09573   107.66405   -55.53670
   32    30 S   HC   HA32    28     1.09532   107.81945    60.79756
   33    29 S   CT   _C21    36     1.83972   101.31968   -67.30050
   34    33 S   HC   _H3_    37     1.09168   107.38394    46.44416
   35    30 S   CO3  _C3_    29     1.52911   113.94397  -177.81448
   36    35 S   O2Z  _O31    30     1.26388   115.95745   -18.68187
   37    35 S   O2Z  _O32    31     1.26431   114.52532   161.72629
   38    33 S   CM   _C8_    38     1.53431   111.14386   -75.60728
   39    33 S   CT   _C18    81     1.53184   108.21127   158.83893
   40    39 S   HC   _H42    82     1.09555   112.78296    57.31236
   41    39 S   HC   _H43    83     1.09599   110.55704   178.32147
   42    39 S   HC   _H44    84     1.09666   110.76523   -63.23633
   43    38 S   CMA  _C9_    39     1.36933   122.69450   108.55098
   44    43 S   OM   _O20    40     1.26879   126.00835   179.42733
   45    38 S   CT   _C20    76     1.52213   116.17078   -71.85782
   46    45 S   HC   _H47    77     1.09445   111.06098    41.24962
   47    45 S   HC   _H48    78     1.09471   112.72943   160.57704
   48    43 S   OS   _O23    41     1.41298   112.48770    -3.64771
   49    45 S   OH   _O22    79     1.42268   109.91098   -78.89322
   50    49 S   HO   _H50    80     0.97182   106.85044  -176.50190
   51    48 S   CT   _C19    42     1.43260   112.71009   115.85223
   52    51 S   HC   _H45    43     1.09737   109.89824   -52.88724
   53    51 S   HC   _H46    44     1.09560   110.48817    67.20644
   54    51 S   CM   _C5_    45     1.48969   107.35774  -173.01947
   55    54 S   CM   _C4_    46     1.33625   127.56980   113.71674
   56    55 S   HC   _H26    47     1.08013   125.11229     1.09486
   57    55 S   CT   _C11    48     1.49282   111.02235  -176.71098
   58    57 S   HC   _H28    49     1.09510   109.87678   117.81457
   59    57 S   HC   _H29    50     1.09541   110.24494  -123.22609
   60    57 S   NT   _N19    51     1.47547   106.06736    -0.05234
   61    60 S   CT   _C13    52     1.46606   113.56503  -119.31589
   62    61 S   HC   _H32    53     1.09740   112.50474    27.81495
   63    61 S   HC   _H33    54     1.09404   111.26772   -94.01689
   64    61 S   CT   _C12    55     1.52099   103.76888   145.59737
   65    64 S   HC   _H30    56     1.09669   110.33827    76.33465
   66    64 S   HC   _H31    57     1.09384   111.20961  -162.56142
   67    64 S   CT   _C15    58     1.52337   102.25687   -41.16544
   68    67 S   HC   _H35    59     1.09610   112.57872   158.05707
   69    54 S   CT   _C14    60     1.49477   122.36538   -63.46600
   70    69 S   HC   _H34    61     1.09545   110.02630    61.29194
   71    67 S   OS   _O24    62     1.44171   109.46019   -78.81893
   72    71 S   CO4  _C10    63     1.35794   116.98305   -84.63373
   73    72 S   O    _O21    64     1.22114   126.91744     0.77329
   74    72 S   CM   _C7_    65     1.48494   108.49936  -178.81139
   75    74 S   CM   _C6_    66     1.34473   120.52221  -135.30508
   76    75 S   HC   _H27    67     1.08920   117.80696  -177.71124
   77    74 S   CT   _C17    72     1.50034   116.92110    46.93110
   78    77 S   HC   _H39    73     1.09484   110.72918   -70.05785
   79    77 S   HC   _H40    74     1.09510   110.41751    50.20351
   80    77 S   HC   _H41    75     1.09521   111.94713   169.82028
   81    75 S   CT   _C16    68     1.49578   128.19627     3.98914
   82    81 S   HC   _H36    69     1.09403   109.97520  -109.24351
   83    81 S   HC   _H37    70     1.09504   109.34290   132.23496
   84    81 S   HC   _H38    71     1.09248   113.50368    12.86936
  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  13   5   2   1   1  10   3   5   3   2   6
   1   1  10   4   3  13   9   5  10   4   3  11  10   6   5   8
   5   4   7   4   3   1   5   9   3  10   9   5   4   2   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    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    51    45    46    47    49    50    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    51    52    53    54    45    46    47    49  
   48    51    45  
   46    47    49    50    48  
   47    49    50  
   49    50  
   51    52    53    54    55    69  
   50  
    0  
   52    53    54    55    56    57    60    67    69    70  
   53    54    55    69  
   54    55    69  
   55    56    57    58    59    60    61    64    67    68    69    70    71  
   56    57    58    59    60    61    67    69    70  
   57    58    59    60    69  
   58    59    60    61    62    63    64    67    69    70  
   59    60    61    69  
   60    61    69  
   61    62    63    64    65    66    67    68    69    70    71  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    66    67    69  
   64    65    66    67    69  
   65    66    67    68    69    70    71    72  
   66    67    68    69    71  
   67    68    69    71  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71  
   72    73    74    75    77  
   73    74    75    76    81    77    78    79    80  
   74    75    77  
   75    76    81    82    83    84    77    78    79    80  
   76    81    82    83    84    77    78    79    80  
   81    82    83    84    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.145000   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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
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    48   440.000  1.360
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   549.000  1.340
   54    69   317.000  1.510
   55    56   340.000  1.080
   55    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   382.000  1.448
   60    61   382.000  1.448
   60    69   382.000  1.448
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    77   317.000  1.510
   75    76   340.000  1.080
   75    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
   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    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    90.00000  110.39200
   43    48    51    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    85.00000  110.90400
   51    54    55    70.00000  124.00000
   51    54    69    65.00000  117.92700
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    57    70.00000  124.00000
   54    69    60    75.00000  110.70900
   54    69    67    70.00000  112.02700
   54    69    70    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  110.70900
   57    55    56    35.00000  117.00000
   57    60    61    51.80000  107.20000
   57    60    69    51.80000  107.20000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    56.20000  109.47000
   60    69    67    56.20000  109.47000
   60    69    70    35.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    71    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    71    72    83.00000  116.90000
   69    54    55    70.00000  124.00000
   69    60    61    51.80000  107.20000
   69    67    68    37.50000  110.70000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    77    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    81    70.00000  124.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   81    75    76    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    74    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   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    48   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    49   0.18000  1.0 1.0
   33    38    45    49   0.16450 -1.0 2.0
   33    38    45    49   0.04450  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    48    51  -2.26850  1.0 1.0
   38    43    48    51   3.39050 -1.0 2.0
   38    45    49    50  -0.07800  1.0 1.0
   38    45    49    50  -0.21500 -1.0 2.0
   38    45    49    50  -0.03150  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.67800  1.0 1.0
   43    38    45    49   0.47050 -1.0 2.0
   43    38    45    49  -0.62500  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54  -0.48150  1.0 1.0
   43    48    51    54   0.09250 -1.0 2.0
   43    48    51    54  -0.12850  1.0 3.0
   44    43    48    51   2.00000 -1.0 2.0
   48    51    54    55   0.39000  1.0 1.0
   48    51    54    55  -0.05800 -1.0 2.0
   48    51    54    55  -0.55150  1.0 3.0
   48    51    54    69   0.09700  1.0 1.0
   48    51    54    69   0.15600 -1.0 2.0
   48    51    54    69  -0.50800  1.0 3.0
   51    54    55    56   7.00000 -1.0 2.0
   51    54    55    57   7.00000 -1.0 2.0
   51    54    69    60   0.52100  1.0 1.0
   51    54    69    60  -0.20350 -1.0 2.0
   51    54    69    60   0.29750  1.0 3.0
   51    54    69    67   0.46850  1.0 1.0
   51    54    69    67   0.08550 -1.0 2.0
   51    54    69    67   0.09800  1.0 3.0
   51    54    69    70   0.34800  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    69   0.34800  1.0 3.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    69   0.34800  1.0 3.0
   54    55    57    58   0.00000  1.0 1.0
   54    55    57    59   0.00000  1.0 1.0
   54    55   -57    60   0.90200  1.0 1.0
   54    55   -57    60   0.57900 -1.0 2.0
   54    55   -57    60  -0.62100  1.0 3.0
   55    54   -69    60   0.90200  1.0 1.0
   55    54   -69    60   0.57900 -1.0 2.0
   55    54   -69    60  -0.62100  1.0 3.0
   55    54    69    67   0.09850  1.0 1.0
   55    54    69    67   0.15250 -1.0 2.0
   55    54    69    67  -0.50650  1.0 3.0
   55    54    69    70   0.00000  1.0 1.0
   55    57    60    61  -0.60800  1.0 1.0
   55    57    60    61   1.10050 -1.0 2.0
   55    57    60    61   0.47000  1.0 3.0
   55    57   -60    69  -0.60800  1.0 1.0
   55    57   -60    69   1.10050 -1.0 2.0
   55    57   -60    69   0.47000  1.0 3.0
   56    55    57    58   0.33100  1.0 3.0
   56    55    57    59   0.33100  1.0 3.0
   56    55    57    60   0.00000  1.0 1.0
   57    60    61    62   0.28000  1.0 3.0
   57    60    61    63   0.28000  1.0 3.0
   57    60    61    64   0.23450  1.0 1.0
   57    60    61    64   0.02050 -1.0 2.0
   57    60    61    64   0.25250  1.0 3.0
   57    60   -69    54  -0.60800  1.0 1.0
   57    60   -69    54   1.10050 -1.0 2.0
   57    60   -69    54   0.47000  1.0 3.0
   57    60    69    67   0.23450  1.0 1.0
   57    60    69    67   0.02050 -1.0 2.0
   57    60    69    67   0.25250  1.0 3.0
   57    60    69    70   0.28000  1.0 3.0
   58    57    60    61   0.28000  1.0 3.0
   58    57    60    69   0.28000  1.0 3.0
   59    57    60    61   0.28000  1.0 3.0
   59    57    60    69   0.28000  1.0 3.0
   60    61    64    65   0.15000  1.0 3.0
   60    61    64    66   0.15000  1.0 3.0
   60    61   -64    67   1.53400  1.0 1.0
   60    61   -64    67  -0.09950 -1.0 2.0
   60    61   -64    67   0.05700  1.0 3.0
   61    60    69    54  -0.60800  1.0 1.0
   61    60    69    54   1.10050 -1.0 2.0
   61    60    69    54   0.47000  1.0 3.0
   61    60   -69    67   0.23450  1.0 1.0
   61    60   -69    67   0.02050 -1.0 2.0
   61    60   -69    67   0.25250  1.0 3.0
   61    60    69    70   0.28000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64   -67    69   0.56750  1.0 1.0
   61    64   -67    69  -0.07550 -1.0 2.0
   61    64   -67    69   0.20000  1.0 3.0
   61    64    67    71   0.62750  1.0 1.0
   61    64    67    71  -0.30950 -1.0 2.0
   61    64    67    71   0.27300  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    69    54   0.34400  1.0 1.0
   64    67    69    54   0.09450 -1.0 2.0
   64    67    69    54   0.11100  1.0 3.0
   64    67   -69    60   1.53400  1.0 1.0
   64    67   -69    60  -0.09950 -1.0 2.0
   64    67   -69    60   0.05700  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    71    72  -0.25900  1.0 1.0
   64    67    71    72  -0.47000 -1.0 2.0
   64    67    71    72   0.11750  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.23400  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    71   0.23400  1.0 3.0
   67    71    72    73   3.00000 -1.0 2.0
   67    71    72    74   2.00000 -1.0 2.0
   68    67    69    54   0.15000  1.0 3.0
   68    67    69    60   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    71    72   0.08050  1.0 3.0
   69    54    55    56   7.00000 -1.0 2.0
   69    54   -55    57   7.00000 -1.0 2.0
   69    60    61    62   0.28000  1.0 3.0
   69    60    61    63   0.28000  1.0 3.0
   69    60   -61    64   0.23450  1.0 1.0
   69    60   -61    64   0.02050 -1.0 2.0
   69    60   -61    64   0.25250  1.0 3.0
   69    67    71    72  -0.25900  1.0 1.0
   69    67    71    72  -0.47000 -1.0 2.0
   69    67    71    72   0.11750  1.0 3.0
   71    67    69    54   0.61850  1.0 1.0
   71    67    69    54  -0.22750 -1.0 2.0
   71    67    69    54   0.15300  1.0 3.0
   71    67    69    60   1.74050  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    77  -0.15000  1.0 1.0
   71    72    74    77   0.89550 -1.0 2.0
   71    72    74    77  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    81   7.00000 -1.0 2.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    80   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    77  -0.64400  1.0 1.0
   73    72    74    77   0.26850 -1.0 2.0
   74    75    81    82   0.00000  1.0 1.0
   74    75    81    83   0.00000  1.0 1.0
   74    75    81    84   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    80   0.00000  1.0 1.0
   76    75    81    82   0.33100  1.0 3.0
   76    75    81    83   0.33100  1.0 3.0
   76    75    81    84   0.33100  1.0 3.0
   77    74    75    76   7.00000 -1.0 2.0
   77    74    75    81   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
   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    48    43    38  15.00000 -1.0 2.0
   51    69    54    55   1.10000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    77    74    75  15.00000 -1.0 2.0
   81    76    75    74  15.00000 -1.0 2.0
END
