* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    174    272     509
    1     0 S   NP   _N1_     1    28.95581    94.94814   -24.66971
    2     1 S   H    _HN1     2     1.02834    28.75487  -176.29340
    3     1 S   H    _H1_     3     1.02782   111.40108   -87.96283
    4     1 S   H    _H2_     4     1.02951    79.14865    17.66305
    5     1 S   CT   _CA1     5     1.50105   128.83579   125.22175
    6     5 S   HC   _HA1     6     1.09571   105.22426    85.23611
    7     5 S   CO3  _C1_     7     1.53796   112.41966   -35.05608
    8     7 S   O2Z  _O11     8     1.26371   114.99873   -43.27277
    9     7 S   O2Z  _O12     9     1.26235   114.94885   135.91035
   10     5 S   CT   _CB1    10     1.53088   107.45000  -156.74090
   11    10 S   HC   HB11    11     1.09829   109.43814   -49.63671
   12    10 S   HC   HB12    12     1.09818   110.42554    66.98576
   13    10 S   CT   _CG1    13     1.52993   112.57730  -170.62051
   14    13 S   HC   HG11    14     1.09586   110.58238   -64.08740
   15    13 S   HC   HG12    15     1.09663   109.86116    55.15855
   16    13 S   C    _CD1    16     1.51767   112.25876   175.64783
   17    16 S   O    _OE1    17     1.22736   123.27293     4.27718
   18    16 S   N    _N2_    18     1.38640   111.65210  -176.02211
   19    18 S   H    _HN2    19     1.01583   119.06050     1.42546
   20    18 S   CT1  _CA2    20     1.46098   123.25564   178.90783
   21    20 S   HC   _HA2    21     1.09453   109.02500    -5.15275
   22    20 S   C    _C2_    22     1.53394   108.46885  -119.94515
   23    22 S   O    _O2_    23     1.23021   122.44199  -146.41690
   24    20 S   CT   _CB2    32     1.53269   111.74641   117.44635
   25    24 S   HC   HB21    33     1.09674   109.37048    60.72510
   26    24 S   HC   HB22    34     1.09454   111.28912   177.64690
   27    22 S   N    _N3_    24     1.38372   113.42945    41.09579
   28    27 S   H    _HN3    25     1.01621   119.51890    -3.61276
   29    24 S   S    _SG2    35     1.82954   114.32674   -58.28298
   30    27 S   CT   _CA3    26     1.45265   123.12100   176.76100
   31    30 S   HC   HA31    27     1.09553   107.52544   -63.62229
   32    30 S   HC   HA32    28     1.09557   107.94947    52.78916
   33    29 S   CT   _C24    36     1.84330   100.91637   -69.79425
   34    33 S   HC   _H7_    37     1.09160   107.69863    50.61462
   35    30 S   CO3  _C3_    29     1.52933   114.11900   174.76692
   36    35 S   O2Z  _O31    30     1.26372   116.06498    -0.99209
   37    35 S   O2Z  _O32    31     1.26429   114.41057   179.07254
   38    33 S   CM   _C21    38     1.53965   110.70469   -72.22214
   39    33 S   OS   _O35    87     1.43805   110.60444   168.10029
   40    38 S   CMA  _C22    39     1.37136   121.98023   113.11677
   41    40 S   OM   _O33    40     1.26897   125.69044   178.96108
   42    38 S   CT   _C20    46     1.55186   114.20506   -67.83246
   43    42 S   HC   _H6_    47     1.09869   107.01739    -2.50437
   44    39 S   CT   _C25    88     1.42166   113.06748   -91.97022
   45    44 S   HC   _H29    89     1.09327   108.21751   178.59514
   46    44 S   HC   _H30    90     1.09382   110.87451    59.67198
   47    44 S   HC   _H31    91     1.09426   110.42699   -62.85155
   48    40 S   OS   _O34    41     1.41943   111.62555    -0.05234
   49    42 S   CT   _C19    48     1.54111   111.08214   113.15088
   50    49 S   HC   _H24    49     1.09720   109.69108    67.73611
   51    49 S   HC   _H25    50     1.09622   110.62273   -48.25450
   52    42 S   CT   _C6_    78     1.55764   116.36914  -120.08416
   53    52 S   HC   _H3_    79     1.09677   109.65453   -67.53213
   54    48 S   CT   _C23    42     1.42753   115.00740  -148.34849
   55    54 S   HC   _H26    43     1.09407   107.73514   171.46418
   56    54 S   HC   _H27    44     1.09521   111.13255    53.35016
   57    54 S   HC   _H28    45     1.09471   110.97085   -70.61334
   58    49 S   CT   _C18    51     1.52406   113.34707  -172.36627
   59    58 S   HC   _H5_    52     1.09850   107.98978  -166.06599
   60    52 S   CT   _C5_    80     1.54595   111.81006    52.29180
   61    60 S   HC   _H11    81     1.09540   109.90158   -55.82220
   62    60 S   HC   _H12    82     1.09666   109.97762    61.55307
   63    58 S   C5A  _C17    53     1.49016   116.30283    73.11943
   64    60 S   CT   _C4_    83     1.52344   113.80001  -175.99112
   65    64 S   HC   _H8_    84     1.09362   111.69370   -68.13003
   66    64 S   HC   _H9_    85     1.09496   109.93461   172.82892
   67    64 S   HC   _H10    86     1.09444   111.06984    53.35658
   68    63 S   C5B  _C10    54     1.38021   124.72398  -147.07805
   69    63 S   NA   _N5_    65     1.36552   126.78297    35.18501
   70    69 S   H    _H23    66     1.01115   125.78775    -1.85931
   71    68 S   C56B _C11    55     1.42242   107.43447  -179.02321
   72    68 S   CT   _C9_    67     1.49311   122.18574     2.75179
   73    72 S   HC   _H17    68     1.09659   108.83119   109.40371
   74    72 S   HC   _H18    69     1.09601   110.14657  -133.79251
   75    71 S   CA   _C12    56     1.40931   134.38634  -179.17078
   76    75 S   HA   _H19    57     1.08619   120.76688    -0.27976
   77    72 S   CT   _C8_    70     1.54253   112.27242   -12.08968
   78    77 S   HC   _H15    71     1.09496   111.74966   161.93469
   79    77 S   HC   _H16    72     1.09633   110.97494   -77.00265
   80    75 S   CA   _C13    58     1.39954   119.28529   179.66312
   81    80 S   HA   _H20    59     1.08692   119.52983  -180.00000
   82    58 S   NP   _N4_    73     1.53227   109.59323   -52.28071
   83    82 S   H    _H4_    74     1.02911   106.17479   -66.16561
   84    80 S   CA   _C14    60     1.39322   120.76934    -0.06853
   85    84 S   HA   _H21    61     1.08720   119.56251  -179.91844
   86    82 S   CT   _C7_    75     1.51496   115.06450    50.87166
   87    86 S   HC   _H13    76     1.09425   105.74838  -175.22578
   88    86 S   HC   _H14    77     1.09465   108.47819    67.97911
   89    84 S   CA   _C15    62     1.39766   121.04122     0.01978
   90    89 S   HA   _H22    63     1.08503   120.92349  -179.86730
   91    71 S   C56A _C16    64     1.39890   106.92904     0.45111
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  14   5   2   1   1  16   6  10   3  18   8   3   2   1   1   4
  14   6   5  15   8   3   2   1   1  16   7  10   6   5  14   4
   2   1   1  15   9   3  12  10   5   4   7   4   7   4   3   6
   3   4   3   4   3   2   1   1   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    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    86    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    63    82    86    87    88    52    53    60    61    62    64    48  
   49    50    51    58    86    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    63    68    69    77    82    83    86    52    53    60  
   51    58    59    63    82    52  
   58    59    63    82    52  
   53    60    61    62    64    65    66    67    58    77    82    83    86    87    88  
   60    61    62    64    82    86    87    88  
   55    56    57  
   56    57  
   57  
    0  
   59    63    68    71    91    69    70    72    77    78    79    82    83    86    87    88  
   63    68    69    77    82    83    86  
   61    62    64    65    66    67    82    86    87    88  
   62    64    65    66    67    86  
   64    65    66    67    86  
   68    71    75    89    91    69    70    72    73    74    77    82    83    86  
   65    66    67    86  
   66    67  
   67  
    0  
   71    75    76    80    89    91    69    70    72    73    74    77    78    79    82  
   70    72    82    71    75    84    89    90    91  
   71    89    91  
   75    76    80    81    84    89    90    91    72    73    74    77  
   73    74    77    78    79    82    83    86    75    91  
   74    77    78    79    82  
   77    78    79    82  
   76    80    81    84    85    89    91  
   80    81    84    91  
   78    79    82    83    86    87    88  
   79    82    83    86  
   82    83    86  
   81    84    85    89    90    91  
   84    85    89  
   83    86    87    88  
   86    87    88  
   85    89    90    91  
   89    90    91  
   87    88  
   88  
    0  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   82   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   83   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    63   295.000  1.489
   58    82   367.000  1.471
   63    68   520.000  1.370
   63    69   427.000  1.381
   68    71   380.000  1.440
   68    72   295.000  1.494
   71    75   469.000  1.404
   71    91   447.000  1.419
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   80    84   469.000  1.400
   84    85   367.000  1.080
   84    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    69   428.000  1.380
   69    70   434.000  1.010
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   367.000  1.471
   82    83   434.000  1.010
   82    86   367.000  1.471
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    52   268.000  1.529
   52    53   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    86    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    63    70.00000  113.44400
   49    58    82    80.00000  111.20000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    63    68    55.00000  130.44200
   58    63    69    65.00000  122.56900
   58    82    77    75.00000  113.01200
   58    82    83    35.00000  109.50000
   58    82    86    75.00000  113.01200
   63    58    59    45.00000  110.47400
   63    68    71    80.00000  105.82900
   63    68    72    55.00000  127.77900
   63    69    91    90.00000  107.14200
   63    69    70    35.00000  120.00000
   68    71    75    50.00000  134.85500
   68    71    91    80.00000  107.43600
   68    72    73    45.00000  111.11700
   68    72    74    45.00000  111.11700
   68    72    77    70.00000  112.62400
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    91    89    85.00000  122.70000
   71    91    69    70.00000  104.40000
   75    80    81    35.00000  120.00000
   75    80    84    63.00000  120.00000
   80    75    76    35.00000  120.00000
   80    84    85    35.00000  120.00000
   80    84    89    63.00000  120.00000
   84    80    81    35.00000  120.00000
   84    89    90    35.00000  120.00000
   84    89    91    85.00000  120.00000
   89    84    85    35.00000  120.00000
   89    91    69    70.00000  132.80000
   91    71    75    85.00000  116.20000
   91    89    90    35.00000  120.00000
   91    69    70    35.00000  123.10000
   69    63    68    70.00000  106.30000
   72    68    71    55.00000  128.73000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    80.00000  111.20000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    82    83    35.00000  109.50000
   77    82    86    75.00000  113.01200
   79    77    78    33.00000  107.80000
   82    58    59    35.00000  109.50000
   82    58    63    75.00000  111.64000
   82    77    78    35.00000  109.50000
   82    77    79    35.00000  109.50000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    52    80.00000  111.20000
   86    82    83    35.00000  109.50000
   86    52    53    37.50000  110.70000
   86    52    60    58.35000  112.70000
   88    86    87    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    86    87    37.50000  110.70000
   52    86    88    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    64    58.35000  112.70000
   60    52    53    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    86   0.34400  1.0 1.0
   38    42    52    86   0.09450 -1.0 2.0
   38    42    52    86   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.34400  1.0 1.0
   38    42    52    60   0.09450 -1.0 2.0
   38    42    52    60   0.11100  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    63  -0.03700  1.0 1.0
   42    49    58    63   0.37200 -1.0 2.0
   42    49    58    63  -0.47300  1.0 3.0
   42    49    58    82   1.36600  1.0 1.0
   42    49    58    82  -0.11450 -1.0 2.0
   42    49    58    82   0.24250  1.0 3.0
   42    52    60    61   0.15000  1.0 3.0
   42    52    60    62   0.15000  1.0 3.0
   42    52    60    64   0.56750  1.0 1.0
   42    52    60    64  -0.07550 -1.0 2.0
   42    52    60    64   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    86   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    86   0.56750  1.0 1.0
   49    42    52    86  -0.07550 -1.0 2.0
   49    42    52    86   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.56750  1.0 1.0
   49    42    52    60  -0.07550 -1.0 2.0
   49    42    52    60   0.20000  1.0 3.0
   49    58    63    68   0.04150 -1.0 2.0
   49    58    63    69   0.39850  1.0 1.0
   49    58    63    69   0.06450 -1.0 2.0
   49    58    63    69   0.32400  1.0 3.0
   49    58    82    77   0.47100  1.0 1.0
   49    58    82    83   0.17350  1.0 3.0
   49    58   -82    86   0.47100  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.43200  1.0 3.0
   50    49    58    82   0.19200  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    63   0.43200  1.0 3.0
   51    49    58    82   0.19200  1.0 3.0
   58    63    68    71   3.62500 -1.0 2.0
   58    63    68    72   3.62500 -1.0 2.0
   58    63    69    91   3.62500 -1.0 2.0
   58    63    69    70   2.00000 -1.0 2.0
   58    82    86    87   0.15000  1.0 3.0
   58    82    86    88   0.15000  1.0 3.0
   58    82    86    52   0.47100  1.0 1.0
   59    58    63    68   0.00000  1.0 1.0
   59    58    63    69   0.00000  1.0 1.0
   59    58    82    77   0.15000  1.0 3.0
   59    58    82    83   0.13050  1.0 3.0
   59    58    82    86   0.15000  1.0 3.0
   63    58    82    77   0.03550  1.0 1.0
   63    58    82    77   0.09800 -1.0 2.0
   63    58    82    83   0.17350  1.0 3.0
   63    58    82    86   0.03550  1.0 1.0
   63    58    82    86   0.09800 -1.0 2.0
   63    68    71    75   3.62500 -1.0 2.0
   63    68   -71    91   3.50000 -1.0 2.0
   63    68    72    73   0.00000  1.0 1.0
   63    68    72    74   0.00000  1.0 1.0
   63    68   -72    77   0.04150 -1.0 2.0
   68    63   -69    91   3.62500 -1.0 2.0
   68    63    69    70   1.40000 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   68    71    91    89   3.00000 -1.0 2.0
   68    71   -91    69   3.00000 -1.0 2.0
   68    72    77    78   0.43200  1.0 3.0
   68    72    77    79   0.43200  1.0 3.0
   68    72    77    82   1.24050  1.0 1.0
   68    72    77    82   0.48100 -1.0 2.0
   68    72    77    82   1.08150  1.0 3.0
   71    68    72    73   0.00000  1.0 1.0
   71    68    72    74   0.00000  1.0 1.0
   71    68    72    77   0.04150 -1.0 2.0
   71    75    80    81   3.62500 -1.0 2.0
   71    75    80    84   3.62500 -1.0 2.0
   71    91   -69    63   3.62500 -1.0 2.0
   71    91    69    70   1.52500 -1.0 2.0
   75    71    91    89   3.00000 -1.0 2.0
   75    71    91    69   3.00000 -1.0 2.0
   75    80    84    85   3.62500 -1.0 2.0
   75    80   -84    89   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   76    75    80    84   3.62500 -1.0 2.0
   80    84    89    90   3.62500 -1.0 2.0
   80    84    89    91   3.62500 -1.0 2.0
   81    80    84    85   3.62500 -1.0 2.0
   81    80    84    89   3.62500 -1.0 2.0
   84    89   -91    71   3.62500 -1.0 2.0
   84    89    91    69   3.62500 -1.0 2.0
   85    84    89    90   3.62500 -1.0 2.0
   85    84    89    91   3.62500 -1.0 2.0
   89    91    69    63   3.62500 -1.0 2.0
   89    91    69    70   1.52500 -1.0 2.0
   90    89    91    71   3.62500 -1.0 2.0
   90    89    91    69   3.62500 -1.0 2.0
   91    71    75    76   3.50000 -1.0 2.0
   91    71   -75    80   3.50000 -1.0 2.0
   69    63   -68    71   3.62500 -1.0 2.0
   69    63    68    72   3.62500 -1.0 2.0
   72    68    71    75   3.62500 -1.0 2.0
   72    68    71    91   3.62500 -1.0 2.0
   72    77   -82    58   0.47100  1.0 1.0
   72    77    82    83   0.17350  1.0 3.0
   72    77    82    86   0.47100  1.0 1.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.19200  1.0 3.0
   74    72    77    78   0.15000  1.0 3.0
   74    72    77    79   0.15000  1.0 3.0
   74    72    77    82   0.19200  1.0 3.0
   77    82    86    87   0.15000  1.0 3.0
   77    82    86    88   0.15000  1.0 3.0
   77    82    86    52   0.47100  1.0 1.0
   78    77    82    58   0.15000  1.0 3.0
   78    77    82    83   0.13050  1.0 3.0
   78    77    82    86   0.15000  1.0 3.0
   79    77    82    58   0.15000  1.0 3.0
   79    77    82    83   0.13050  1.0 3.0
   79    77    82    86   0.15000  1.0 3.0
   82    58   -63    68  -0.46400 -1.0 2.0
   82    58    63    69   0.04300 -1.0 2.0
   82    86   -52    42   1.36600  1.0 1.0
   82    86   -52    42  -0.11450 -1.0 2.0
   82    86   -52    42   0.24250  1.0 3.0
   82    86    52    53   0.19200  1.0 3.0
   82    86    52    60   1.36600  1.0 1.0
   82    86    52    60  -0.11450 -1.0 2.0
   82    86    52    60   0.24250  1.0 3.0
   83    82    86    87   0.13050  1.0 3.0
   83    82    86    88   0.13050  1.0 3.0
   83    82    86    52   0.17350  1.0 3.0
   86    52    60    61   0.15000  1.0 3.0
   86    52    60    62   0.15000  1.0 3.0
   86    52    60    64   0.56750  1.0 1.0
   86    52    60    64  -0.07550 -1.0 2.0
   86    52    60    64   0.20000  1.0 3.0
   87    86    52    42   0.15000  1.0 3.0
   87    86    52    53   0.15000  1.0 3.0
   87    86    52    60   0.15000  1.0 3.0
   88    86    52    42   0.15000  1.0 3.0
   88    86    52    53   0.15000  1.0 3.0
   88    86    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    64    65   0.15000  1.0 3.0
   52    60    64    66   0.15000  1.0 3.0
   52    60    64    67   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   68    69    63    58   4.00000 -1.0 2.0
   71    72    68    63   4.00000 -1.0 2.0
   75    91    71    68   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   84    81    80    75   1.10000 -1.0 2.0
   89    85    84    80   1.10000 -1.0 2.0
   91    90    89    84   1.10000 -1.0 2.0
   89    69    91    71   4.00000 -1.0 2.0
   70    63    69    91   1.00000 -1.0 2.0
END
