* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    151    227     439
    1     0 S   NP   _N1_     1    28.64775    95.49080   -23.60765
    2     1 S   H    _HN1     2     1.02950    79.74437    14.26954
    3     1 S   H    _H1_     3     1.02829    31.31987   164.92555
    4     1 S   H    _H2_     4     1.02783   103.24444   -92.35459
    5     1 S   CT   _CA1     5     1.50111   136.59689   123.19329
    6     5 S   HC   _HA1     6     1.09573   105.21382    80.95044
    7     5 S   CO3  _C1_     7     1.53797   112.41472   -39.29961
    8     7 S   O2Z  _O11     8     1.26371   115.00992   -43.53824
    9     7 S   O2Z  _O12     9     1.26239   114.94586   135.60906
   10     5 S   CT   _CB1    10     1.53086   107.42477  -161.07872
   11    10 S   HC   HB11    11     1.09830   109.39782   -49.93546
   12    10 S   HC   HB12    12     1.09814   110.43492    66.67268
   13    10 S   CT   _CG1    13     1.52985   112.59396  -170.93304
   14    13 S   HC   HG11    14     1.09587   110.57671   -64.58375
   15    13 S   HC   HG12    15     1.09666   109.84276    54.63948
   16    13 S   C    _CD1    16     1.51801   112.28463   175.08458
   17    16 S   O    _OE1    17     1.22725   123.31025     4.16490
   18    16 S   N    _N2_    18     1.38653   111.63075  -175.92556
   19    18 S   H    _HN2    19     1.01583   118.93286     1.85857
   20    18 S   CT1  _CA2    20     1.46194   123.39173   178.20823
   21    20 S   HC   _HA2    21     1.09738   109.39890     0.16551
   22    20 S   C    _C2_    22     1.53519   108.51115  -115.32095
   23    22 S   O    _O2_    23     1.23054   122.30563  -147.49737
   24    20 S   CT   _CB2    32     1.53470   111.65846   122.17797
   25    24 S   HC   HB21    33     1.09527   109.60448    55.83491
   26    24 S   HC   HB22    34     1.09363   109.75376   174.58072
   27    22 S   N    _N3_    24     1.38337   113.65228    39.90167
   28    27 S   H    _HN3    25     1.01602   119.57886    -3.39246
   29    24 S   S    _SG2    35     1.83110   111.20577   -64.31319
   30    27 S   CT   _CA3    26     1.45291   123.16673   177.08462
   31    30 S   HC   HA31    27     1.09550   107.50397   -64.48142
   32    30 S   HC   HA32    28     1.09557   107.97844    51.93920
   33    29 S   CT   _C18    36     1.86393   102.45651  -163.76027
   34    30 S   CO3  _C3_    29     1.52949   114.11943   173.93531
   35    34 S   O2Z  _O31    30     1.26372   116.07391    -0.90612
   36    34 S   O2Z  _O32    31     1.26433   114.40874   179.15977
   37    33 S   CO4  _C11    37     1.53074   110.02027    63.00588
   38    37 S   O    _O23    38     1.22832   123.27137    21.57010
   39    33 S   CT   _C24    56     1.57031   109.50306  -178.21217
   40    39 S   HC   _H49    57     1.09725   108.07556  -172.54847
   41    37 S   CA   _C7_    39     1.49428   117.53001  -162.06966
   42    39 S   CT   _C23    58     1.54409   115.28211   -52.49608
   43    42 S   HC   _H47    59     1.09699   110.66121    77.00653
   44    42 S   HC   _H48    60     1.09361   111.38917   -41.26003
   45    39 S   OS   _O27    72     1.45231   108.70075    68.52580
   46    41 S   CA   _C6_    40     1.40696   120.33753    13.65228
   47    42 S   CM   _C13    61     1.50721   111.50132  -164.40342
   48    47 S   HC   _H32    62     1.08920   114.52325   -85.87897
   49    45 S   CO4  _C16    73     1.35954   118.30302   122.83491
   50    49 S   O    _O24    74     1.21896   127.14227     1.36430
   51    46 S   CA   _C8_    41     1.40506   119.49659  -177.18290
   52    46 S   CO4  _C10    51     1.48652   119.95722     3.69756
   53    52 S   O    _O22    52     1.22689   121.13867  -171.77858
   54    47 S   CM   _C15    63     1.34666   127.06025    94.56441
   55    49 S   CM   _C12    75     1.48074   107.04962  -179.00929
   56    55 S   HC   _H31    76     1.08744   115.24416   -26.14595
   57    51 S   CA   _C4_    42     1.39394   120.72200    -0.66823
   58    57 S   HA   _H29    43     1.08686   120.41464  -179.81443
   59    51 S   OH   _O25    49     1.36923   123.58315   179.73607
   60    59 S   HO   _H50    50     0.97381   109.07301    -2.89354
   61    33 S   CT   _C17    53     1.53301   108.66390   -55.51613
   62    61 S   HC   _H33    54     1.09604   112.67025    58.45836
   63    61 S   HC   _H34    55     1.09636   111.40406   -62.40597
   64    54 S   CT   _C21    64     1.50495   120.57048   179.03612
   65    64 S   HC   _H41    65     1.09494   110.27699   119.18094
   66    64 S   HC   _H42    66     1.09493   110.21364  -120.99214
   67    64 S   HC   _H43    67     1.09512   112.38204    -0.93062
   68    54 S   CT   _C22    68     1.50307   124.87017    -1.92051
   69    68 S   HC   _H44    69     1.09478   110.11287   115.88238
   70    68 S   HC   _H45    70     1.09232   113.43434    -5.05703
   71    68 S   HC   _H46    71     1.09533   110.05908  -124.72741
   72    55 S   CM   _C14    77     1.34531   125.00869   154.58848
   73    57 S   CA   _C5_    44     1.39037   119.89948     0.10087
   74    73 S   HA   _H30    45     1.08694   119.64662   179.95154
   75    72 S   CT   _C19    78     1.50672   119.87330   177.58930
   76    75 S   HC   _H35    79     1.09497   110.32694   118.27507
   77    75 S   HC   _H36    80     1.09520   112.42380    -1.89372
   78    75 S   HC   _H37    81     1.09503   110.16463  -121.88221
   79    72 S   CT   _C20    82     1.50357   125.97811    -3.37991
   80    79 S   HC   _H38    83     1.09451   110.15719   105.60906
   81    79 S   HC   _H39    84     1.09205   113.45897   -16.38681
   82    79 S   HC   _H40    85     1.09579   110.12399  -135.13460
   83    41 S   CA   _C9_    46     1.40599   120.56376  -164.32428
   84    83 S   OH   _O26    47     1.36950   123.66285    -1.60157
   85    84 S   HO   _H51    48     0.97371   109.07636    -3.07135
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  15   5  16   7  12  10   5   4   7  13  10   3
   6   3  10   7   3   8  10   3   7   4   2   1   2   1   1   7
   3   2   1   3   2   1   1   8   4   2   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    61    62    63    39    40    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    83    52    53    61    62    63    39    40    42    43    44    47    45    49  
   35    36  
   36  
    0  
   38    41    46    51    73    83    84    52    61    62    63    39    40    42    45  
   41    46    83    61    39  
   40    42    43    44    47    48    54    45    49    50    55    41    52    61    62    63  
   42    43    44    47    45    49    61  
   46    51    57    73    74    83    84    85    59    52    53    61  
   43    44    47    48    54    64    68    45    49    61  
   44    47    48    54    45  
   47    48    54    45  
   49    50    55    56    72    47    61  
   51    57    58    73    83    84    59    60    52    53    61    62    63  
   48    54    64    65    66    67    68    69    70    71  
   54    64    68  
   50    55    56    72    75    79  
   55    56    72  
   57    58    73    74    83    59    60    52    53    61  
   53    61    62    63    57    59    83  
   61    62    63  
   64    65    66    67    68    69    70    71  
   56    72    75    76    77    78    79    80    81    82  
   72    75    79  
   58    73    74    83    84    59    60  
   73    74    83    59  
   60    73  
    0  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   75    76    77    78    79    80    81    82  
   74    83    84    85  
   83    84  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.000000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    61   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    83   469.000  1.400
   46    51   469.000  1.400
   46    52   310.000  1.470
   51    57   469.000  1.400
   51    59   450.000  1.364
   57    58   367.000  1.080
   57    73   469.000  1.400
   73    74   367.000  1.080
   73    83   469.000  1.400
   83    84   450.000  1.364
   84    85   553.000  0.945
   59    60   553.000  0.945
   52    53   570.000  1.229
   52    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    54   549.000  1.340
   54    64   317.000  1.510
   54    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   45    49   214.000  1.327
   49    50   570.000  1.229
   49    55   320.000  1.462
   55    56   340.000  1.080
   55    72   549.000  1.340
   72    75   317.000  1.510
   72    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    61    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    61    52    63.00000  111.10000
   33    61    62    37.50000  110.70000
   33    61    63    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    39    45    50.00000  109.50000
   37    41    46    60.00000  119.52600
   37    41    83    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    51    63.00000  120.00000
   41    46    52    60.00000  119.52600
   41    83    73    63.00000  120.00000
   41    83    84    70.00000  120.00000
   46    51    57    63.00000  120.00000
   46    51    59    70.00000  120.00000
   46    52    53    75.00000  123.78400
   46    52    61    65.00000  115.47100
   51    57    58    35.00000  120.00000
   51    57    73    63.00000  120.00000
   51    59    60    35.00000  113.00000
   57    73    74    35.00000  120.00000
   57    73    83    63.00000  120.00000
   73    57    58    35.00000  120.00000
   73    83    84    70.00000  120.00000
   83    41    46    63.00000  120.00000
   83    73    74    35.00000  120.00000
   83    84    85    35.00000  113.00000
   59    51    57    70.00000  120.00000
   52    46    51    60.00000  119.52600
   52    61    62    35.00000  109.50000
   52    61    63    35.00000  109.50000
   61    33    37    63.00000  111.10000
   61    52    53    80.00000  120.40000
   63    61    62    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    61    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    47    70.00000  112.02700
   39    45    49    83.00000  116.90000
   42    39    40    37.50000  110.70000
   42    47    48    35.00000  117.00000
   42    47    54    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    54    64    70.00000  124.00000
   47    54    68    70.00000  124.00000
   54    47    48    35.00000  120.00000
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    67    35.00000  109.50000
   54    68    69    35.00000  109.50000
   54    68    70    35.00000  109.50000
   54    68    71    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    54    64    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    42    50.00000  109.50000
   45    49    50    83.00000  123.40000
   45    49    55    90.00000  111.29400
   49    55    56    40.00000  117.72500
   49    55    72    65.00000  118.96000
   55    49    50    80.00000  123.72100
   55    72    75    70.00000  124.00000
   55    72    79    70.00000  124.00000
   72    55    56    35.00000  120.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    61    52   0.56750  1.0 1.0
   29    33    61    52  -0.07550 -1.0 2.0
   29    33    61    52   0.20000  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   29    33    61    63   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    46   2.26350  1.0 1.0
   33    37    41    46   0.76750 -1.0 2.0
   33    37    41    46   0.22500  1.0 3.0
   33    37    41    83   2.26350  1.0 1.0
   33    37    41    83   0.76750 -1.0 2.0
   33    37    41    83   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    47   0.34400  1.0 1.0
   33    39    42    47   0.09450 -1.0 2.0
   33    39    42    47   0.11100  1.0 3.0
   33    39    45    49  -0.25900  1.0 1.0
   33    39    45    49  -0.47000 -1.0 2.0
   33    39    45    49   0.11750  1.0 3.0
   37    33    61    52   0.11950  1.0 1.0
   37    33    61    52   0.20300 -1.0 2.0
   37    33    61    52  -0.70800  1.0 3.0
   37    33    61    62  -0.11250  1.0 3.0
   37    33    61    63  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    39    45  -0.09450  1.0 1.0
   37    33    39    45  -1.12950 -1.0 2.0
   37    33    39    45   0.54000  1.0 3.0
   37    41    46    51   3.62500 -1.0 2.0
   37    41   -46    52   3.62500 -1.0 2.0
   37    41    83    73   3.62500 -1.0 2.0
   37    41    83    84   3.62500 -1.0 2.0
   38    37    41    46   1.05000 -1.0 2.0
   38    37    41    83   1.05000 -1.0 2.0
   41    46    51    57   3.62500 -1.0 2.0
   41    46    51    59   3.62500 -1.0 2.0
   41    46    52    53   1.05000 -1.0 2.0
   41    46    52    61   2.26350  1.0 1.0
   41    46    52    61   0.76750 -1.0 2.0
   41    46    52    61   0.22500  1.0 3.0
   41    83    84    85   0.84100 -1.0 2.0
   46    41    83    73   3.62500 -1.0 2.0
   46    41    83    84   3.62500 -1.0 2.0
   46    51    57    58   3.62500 -1.0 2.0
   46    51   -57    73   3.62500 -1.0 2.0
   46    51    59    60   0.84100 -1.0 2.0
   46    52   -61    33   0.05850 -1.0 2.0
   46    52   -61    33   0.17250  1.0 3.0
   46    52    61    62   0.00000  1.0 1.0
   46    52    61    63   0.00000  1.0 1.0
   51    46    52    53   1.05000 -1.0 2.0
   51    46    52    61   2.26350  1.0 1.0
   51    46    52    61   0.76750 -1.0 2.0
   51    46    52    61   0.22500  1.0 3.0
   51    57    73    74   3.62500 -1.0 2.0
   51    57    73    83   3.62500 -1.0 2.0
   57    51    59    60   0.84100 -1.0 2.0
   57    73   -83    41   3.62500 -1.0 2.0
   57    73    83    84   3.62500 -1.0 2.0
   58    57    73    74   3.62500 -1.0 2.0
   58    57    73    83   3.62500 -1.0 2.0
   73    83    84    85   0.84100 -1.0 2.0
   74    73    83    41   3.62500 -1.0 2.0
   74    73    83    84   3.62500 -1.0 2.0
   83    41   -46    51   3.62500 -1.0 2.0
   83    41    46    52   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   59    51    57    73   3.62500 -1.0 2.0
   52    46    51    57   3.62500 -1.0 2.0
   52    46    51    59   3.62500 -1.0 2.0
   53    52    61    33   0.30150 -1.0 2.0
   53    52    61    62   0.00000  1.0 1.0
   53    52    61    63   0.00000  1.0 1.0
   61    33    37    38   0.30150 -1.0 2.0
   61    33   -37    41   0.05850 -1.0 2.0
   61    33   -37    41   0.17250  1.0 3.0
   61    33    39    40   0.15000  1.0 3.0
   61    33    39    42   0.56750  1.0 1.0
   61    33    39    42  -0.07550 -1.0 2.0
   61    33    39    42   0.20000  1.0 3.0
   61    33    39    45   0.62750  1.0 1.0
   61    33    39    45  -0.30950 -1.0 2.0
   61    33    39    45   0.27300  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    61    52  -0.95700  1.0 1.0
   39    33    61    52  -0.18200 -1.0 2.0
   39    33    61    52   0.29450  1.0 3.0
   39    33    61    62   0.15000  1.0 3.0
   39    33    61    63   0.15000  1.0 3.0
   39    42    47    48   0.00000  1.0 1.0
   39    42    47    54   0.09850  1.0 1.0
   39    42    47    54   0.15250 -1.0 2.0
   39    42    47    54  -0.50650  1.0 3.0
   39    45    49    50   3.00000 -1.0 2.0
   39    45    49    55   2.00000 -1.0 2.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    47   0.15000  1.0 3.0
   40    39    45    49   0.08050  1.0 3.0
   42    39    45    49  -0.25900  1.0 1.0
   42    39    45    49  -0.47000 -1.0 2.0
   42    39    45    49   0.11750  1.0 3.0
   42    47    54    64   7.00000 -1.0 2.0
   42    47    54    68   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    54   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    54   0.00000  1.0 1.0
   47    54    64    65   0.00000  1.0 1.0
   47    54    64    66   0.00000  1.0 1.0
   47    54    64    67   0.00000  1.0 1.0
   47    54    68    69   0.00000  1.0 1.0
   47    54    68    70   0.00000  1.0 1.0
   47    54    68    71   0.00000  1.0 1.0
   48    47    54    64   7.00000 -1.0 2.0
   48    47    54    68   7.00000 -1.0 2.0
   64    54    68    69   0.34800  1.0 3.0
   64    54    68    70   0.34800  1.0 3.0
   64    54    68    71   0.34800  1.0 3.0
   68    54    64    65   0.34800  1.0 3.0
   68    54    64    66   0.34800  1.0 3.0
   68    54    64    67   0.34800  1.0 3.0
   45    39    42    43   0.23400  1.0 3.0
   45    39    42    44   0.23400  1.0 3.0
   45    39    42    47   0.61850  1.0 1.0
   45    39    42    47  -0.22750 -1.0 2.0
   45    39    42    47   0.15300  1.0 3.0
   45    49    55    56   1.63100 -1.0 2.0
   45    49    55    72  -0.56150  1.0 1.0
   45    49    55    72   2.19150 -1.0 2.0
   49    55    72    75   7.00000 -1.0 2.0
   49    55    72    79   7.00000 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    72   1.00000 -1.0 2.0
   55    72    75    76   0.00000  1.0 1.0
   55    72    75    77   0.00000  1.0 1.0
   55    72    75    78   0.00000  1.0 1.0
   55    72    79    80   0.00000  1.0 1.0
   55    72    79    81   0.00000  1.0 1.0
   55    72    79    82   0.00000  1.0 1.0
   56    55    72    75   7.00000 -1.0 2.0
   56    55    72    79   7.00000 -1.0 2.0
   75    72    79    80   0.34800  1.0 3.0
   75    72    79    81   0.34800  1.0 3.0
   75    72    79    82   0.34800  1.0 3.0
   79    72    75    76   0.34800  1.0 3.0
   79    72    75    77   0.34800  1.0 3.0
   79    72    75    78   0.34800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   46    83    41    37   4.00000 -1.0 2.0
   51    52    46    41   4.00000 -1.0 2.0
   57    59    51    46   4.00000 -1.0 2.0
   73    58    57    51   1.10000 -1.0 2.0
   83    74    73    57   1.10000 -1.0 2.0
   73    84    83    41   4.00000 -1.0 2.0
   46    61    52    53  10.50000 -1.0 2.0
   42    48    47    54  15.00000 -1.0 2.0
   64    68    54    47  15.00000 -1.0 2.0
   45    55    49    50  10.50000 -1.0 2.0
   49    56    55    72  15.00000 -1.0 2.0
   75    79    72    55  15.00000 -1.0 2.0
END
