* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    153    232     445
    1     0 S   NP   _N1_     1    29.17555    98.77459   -21.73382
    2     1 S   H    _HN1     2     1.03121    49.13424   153.09762
    3     1 S   H    _H1_     3     1.02720    88.60749   -91.16671
    4     1 S   H    _H2_     4     1.02918    71.06906    19.01095
    5     1 S   CT   _CA1     5     1.49939   155.83532   117.19152
    6     5 S   HC   _HA1     6     1.09566   105.40721    91.66306
    7     5 S   CO3  _C1_     7     1.53721   112.00972   -28.63911
    8     7 S   O2Z  _O11     8     1.26339   114.93335   -51.55799
    9     7 S   O2Z  _O12     9     1.26260   114.85835   128.01814
   10     5 S   CT   _CB1    10     1.53087   107.50435  -150.21155
   11    10 S   HC   HB11    11     1.09822   109.53769   -51.76714
   12    10 S   HC   HB12    12     1.09828   110.31024    64.73732
   13    10 S   CT   _CG1    13     1.53036   112.61898  -172.91906
   14    13 S   HC   HG11    14     1.09602   110.51124   -58.40857
   15    13 S   HC   HG12    15     1.09628   110.03860    60.82650
   16    13 S   C    _CD1    16     1.51784   112.18245  -178.58004
   17    16 S   O    _OE1    17     1.22728   123.24305    -4.57667
   18    16 S   N    _N2_    18     1.38654   111.70072   175.37225
   19    18 S   H    _HN2    19     1.01575   119.08492     3.02556
   20    18 S   CT1  _CA2    20     1.46198   123.27611  -177.62710
   21    20 S   HC   _HA2    21     1.09730   109.33755    -3.15517
   22    20 S   C    _C2_    22     1.53433   108.79610  -118.97625
   23    22 S   O    _O2_    23     1.23039   122.08195  -146.37017
   24    20 S   CT   _CB2    32     1.53439   111.49112   118.49431
   25    24 S   HC   HB21    33     1.09606   110.02616    59.01752
   26    24 S   HC   HB22    34     1.09532   110.25249   178.04906
   27    22 S   N    _N3_    24     1.38457   113.55957    40.97738
   28    27 S   H    _HN3    25     1.01507   118.96546    -0.64710
   29    24 S   S    _SG2    35     1.82602   111.90004   -61.67685
   30    27 S   CT   _CA3    26     1.45469   123.56137   175.26923
   31    30 S   HC   HA31    27     1.09512   109.40906    21.12137
   32    30 S   HC   HA32    28     1.09501   107.08011   138.13801
   33    29 S   CT   _C24    36     1.82525    98.84744   179.15512
   34    33 S   HC   _H3_    37     1.09503   107.68948    70.68330
   35    33 S   HC   _H4_    38     1.09557   108.82110   -46.54314
   36    30 S   CO3  _C3_    29     1.52910   112.98792  -102.48280
   37    36 S   O2Z  _O31    30     1.26410   115.34318   -46.01580
   38    36 S   O2Z  _O32    31     1.26346   115.02332   134.89098
   39    33 S   CT   _C25    39     1.53278   111.15187  -168.34310
   40    39 S   HC   _H53    40     1.09766   110.44546   -49.91269
   41    39 S   CO4  _C19    41     1.52133   110.29040    71.22884
   42    41 S   O    _O25    42     1.22515   124.25674    68.50662
   43    39 S   CT   _C21    84     1.52859   110.75778  -168.53626
   44    43 S   HC   _H42    85     1.09574   111.51862   -57.81822
   45    43 S   HC   _H43    86     1.09498   110.78249    62.55810
   46    43 S   HC   _H44    87     1.09557   110.78024  -177.56048
   47    41 S   OS   _O27    43     1.39151   109.13907  -110.87489
   48    47 S   CA   _C15    44     1.39564   112.82738   176.44686
   49    48 S   CA   _C10    45     1.39014   119.63289   -84.10575
   50    49 S   HA   _H35    46     1.08558   120.96911     1.38013
   51    49 S   CA   _C6_    47     1.39507   119.02329  -178.73051
   52    51 S   HA   _H31    48     1.08745   118.21255  -179.57387
   53    51 S   CA   _C13    49     1.41170   121.56242     0.87804
   54    53 S   CA   _C7_    50     1.40726   117.67948     0.00000
   55    54 S   HA   _H32    51     1.08582   121.42202   179.70792
   56    53 S   CT   _C26    54     1.54622   119.38335   179.96044
   57    48 S   CA   _C11    52     1.39056   119.13876    98.70589
   58    57 S   HA   _H36    53     1.08585   120.64895    -1.64330
   59    56 S   CA   _C12    55     1.54707   110.86709   -59.39606
   60    56 S   CT   _C22    76     1.55338   106.72840    64.98615
   61    60 S   HC   _H45    77     1.09743   111.02219    55.81958
   62    60 S   HC   _H46    78     1.09677   111.58975   175.16349
   63    60 S   HC   _H47    79     1.09619   112.55486   -64.07591
   64    56 S   CT   _C23    80     1.55315   113.66481  -179.39284
   65    64 S   HC   _H48    81     1.09677   111.54934   -61.19561
   66    64 S   HC   _H49    82     1.09627   112.53351    59.64732
   67    64 S   HC   _H50    83     1.09745   111.03774   179.38962
   68    59 S   CA   _C4_    56     1.41245   119.55191   -56.95209
   69    68 S   HA   _H29    57     1.08782   120.32894     1.10110
   70    68 S   CA   _C8_    58     1.39628   121.46621  -178.44631
   71    70 S   HA   _H33    59     1.08556   120.00883   179.05353
   72    70 S   CA   _C14    60     1.38961   119.18904    -0.62963
   73    72 S   CA   _C9_    61     1.39144   121.04664     0.88691
   74    73 S   HA   _H34    62     1.08583   120.78834   178.59000
   75    72 S   OS   _O26    65     1.40015   118.24622   176.05394
   76    59 S   CA   _C5_    63     1.40739   122.78784   124.27641
   77    76 S   HA   _H30    64     1.08583   121.40450    -1.02221
   78    75 S   CO4  _C18    66     1.38496   115.30010   112.02373
   79    78 S   O    _O24    67     1.22453   126.60097    -2.00154
   80    78 S   CM   _C17    68     1.49336   110.97500   178.64174
   81    80 S   CM   _C16    69     1.34169   122.24786    -1.46954
   82    81 S   HC   _H37    70     1.08600   120.73707  -179.95154
   83    81 S   HC   _H38    71     1.08447   123.18796    -0.01978
   84    80 S   CT   _C20    72     1.50010   115.84640   178.61055
   85    84 S   HC   _H39    73     1.09513   110.43545   -59.88801
   86    84 S   HC   _H40    74     1.09524   112.07489  -179.83214
   87    84 S   HC   _H41    75     1.09506   110.45025    60.20326
  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
  11   5   4   2   1   1   9   7   9   3   4   2   1   1   7   9
   8   4   9   3  16   7   3  16   1   1  17   9   3   2   1   5
   2   1   1   8   4   7   3   8   5   3   6   1   1   9   3   7
   6   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    57    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    54    57    58  
   49    50    51    52    53    54    55    57    58  
   50    51    52    53    54    57    58    56  
   51    52    53    57  
   52    53    54    55    57    56    59    60    64  
   53    54    56  
   54    55    57    58    56    59    68    76    60    61    62    63    64    65    66    67  
   55    57    58    56    59    60    64  
   57    58    56  
   59    68    69    70    73    76    77    60    61    62    63    64    65    66    67    57  
   58  
    0  
   68    69    70    71    72    73    74    76    77    60    61    62    63    64    65    66    67  
   61    62    63    64    65    66    67    68    76  
   62    63    64  
   63    64  
   64  
   65    66    67    68    76  
   66    67  
   67  
    0  
   69    70    71    72    73    76    77    75  
   70    71    72    76  
   71    72    73    74    76    75    78  
   72    73    75  
   73    74    76    77    75    78    79    80  
   74    76    77    75    78  
   76    77    75  
   78    79    80    81    84    76  
   77  
    0  
   79    80    81    82    83    84    85    86    87  
   80    81    84  
   81    82    83    84    85    86    87  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   450.000  1.364
   48    49   469.000  1.400
   48    57   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   56    59   317.000  1.510
   56    60   268.000  1.529
   56    64   268.000  1.529
   59    68   469.000  1.400
   59    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    75   450.000  1.364
   73    74   367.000  1.080
   73    76   469.000  1.400
   76    77   367.000  1.080
   75    78   214.000  1.327
   78    79   570.000  1.229
   78    80   320.000  1.462
   80    81   549.000  1.340
   80    84   317.000  1.510
   81    82   340.000  1.080
   81    83   340.000  1.080
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    85.00000  115.98000
   47    41    42    83.00000  123.40000
   47    48    49    70.00000  120.00000
   47    48    57    70.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    57    54    63.00000  120.00000
   48    57    58    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    56    70.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    70.00000  112.04700
   53    56    60    70.00000  112.17500
   53    56    64    70.00000  112.17500
   54    57    58    35.00000  120.00000
   57    48    49    63.00000  120.00000
   57    54    55    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    68    70.00000  120.00000
   56    59    76    70.00000  120.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   59    68    69    35.00000  120.00000
   59    68    70    63.00000  120.00000
   59    76    73    63.00000  120.00000
   59    76    77    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    75    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    76    63.00000  120.00000
   72    75    78    85.00000  115.98000
   73    76    77    35.00000  120.00000
   76    59    68    63.00000  120.00000
   76    73    74    35.00000  120.00000
   75    72    73    70.00000  120.00000
   75    78    79    83.00000  123.40000
   75    78    80    90.00000  111.29400
   78    80    81    65.00000  118.96000
   78    80    84    65.00000  116.34900
   80    78    79    80.00000  123.72100
   80    81    82    35.00000  120.00000
   80    81    83    35.00000  120.00000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   83    81    82    35.00000  117.00000
   84    80    81    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   60    56    59    70.00000  112.17500
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    59    70.00000  112.17500
   64    56    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   0.75600  1.0 1.0
   39    41    47    48   1.63000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.01300  1.0 1.0
   41    47    48    49   0.97950 -1.0 2.0
   41    47    48    49  -0.55700  1.0 3.0
   41    47    48    57   0.01300  1.0 1.0
   41    47    48    57   0.97950 -1.0 2.0
   41    47    48    57  -0.55700  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48    49    51   3.62500 -1.0 2.0
   47    48    57    54   3.62500 -1.0 2.0
   47    48    57    58   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   49    48    57    54   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    51    53    56   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    56    59   0.04300 -1.0 2.0
   51    53    56    60   0.04150 -1.0 2.0
   51    53    56    64   0.04150 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -57    48   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    56    59    68   0.04300 -1.0 2.0
   53    56    59    76   0.04300 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    62   0.43200  1.0 3.0
   53    56    60    63   0.43200  1.0 3.0
   53    56    64    65   0.43200  1.0 3.0
   53    56    64    66   0.43200  1.0 3.0
   53    56    64    67   0.43200  1.0 3.0
   54    53    56    59   0.04300 -1.0 2.0
   54    53    56    60   0.04150 -1.0 2.0
   54    53    56    64   0.04150 -1.0 2.0
   55    54    57    48   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    48    49    50   3.62500 -1.0 2.0
   57    48   -49    51   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    68    69   3.62500 -1.0 2.0
   56    59    68    70   3.62500 -1.0 2.0
   56    59    76    73   3.62500 -1.0 2.0
   56    59    76    77   3.62500 -1.0 2.0
   59    56    60    61   0.43200  1.0 3.0
   59    56    60    62   0.43200  1.0 3.0
   59    56    60    63   0.43200  1.0 3.0
   59    56    64    65   0.43200  1.0 3.0
   59    56    64    66   0.43200  1.0 3.0
   59    56    64    67   0.43200  1.0 3.0
   59    68    70    71   3.62500 -1.0 2.0
   59    68    70    72   3.62500 -1.0 2.0
   68    59    76    73   3.62500 -1.0 2.0
   68    59    76    77   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    75   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    75    78   0.01300  1.0 1.0
   70    72    75    78   0.97950 -1.0 2.0
   70    72    75    78  -0.55700  1.0 3.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    75   3.62500 -1.0 2.0
   72    73   -76    59   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    75    78    79   3.00000 -1.0 2.0
   72    75    78    80   2.00000 -1.0 2.0
   73    72    75    78   0.01300  1.0 1.0
   73    72    75    78   0.97950 -1.0 2.0
   73    72    75    78  -0.55700  1.0 3.0
   74    73    76    59   3.62500 -1.0 2.0
   74    73    76    77   3.62500 -1.0 2.0
   76    59    68    69   3.62500 -1.0 2.0
   76    59   -68    70   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    76   3.62500 -1.0 2.0
   75    78    80    81  -0.56150  1.0 1.0
   75    78    80    81   2.19150 -1.0 2.0
   75    78    80    84  -0.15000  1.0 1.0
   75    78    80    84   0.89550 -1.0 2.0
   75    78    80    84  -0.06900  1.0 3.0
   78    80    81    82   7.00000 -1.0 2.0
   78    80    81    83   7.00000 -1.0 2.0
   78    80    84    85   0.15000  1.0 3.0
   78    80    84    86   0.15000  1.0 3.0
   78    80    84    87   0.15000  1.0 3.0
   79    78    80    81   1.00000 -1.0 2.0
   79    78    80    84  -0.64400  1.0 1.0
   79    78    80    84   0.26850 -1.0 2.0
   81    80    84    85   0.00000  1.0 1.0
   81    80    84    86   0.00000  1.0 1.0
   81    80    84    87   0.00000  1.0 1.0
   84    80    81    82   7.00000 -1.0 2.0
   84    80    81    83   7.00000 -1.0 2.0
   60    56    59    68   0.04150 -1.0 2.0
   60    56    59    76   0.04150 -1.0 2.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    67   0.15000  1.0 3.0
   64    56    59    68   0.04150 -1.0 2.0
   64    56    59    76   0.04150 -1.0 2.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   0.15000  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   38    30    36    37  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   49    57    48    47   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   54    58    57    48   1.10000 -1.0 2.0
   68    76    59    56   4.00000 -1.0 2.0
   70    69    68    59   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    75    72    70   4.00000 -1.0 2.0
   76    74    73    72   1.10000 -1.0 2.0
   73    77    76    59   1.10000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   78    84    80    81  15.00000 -1.0 2.0
   82    83    81    80  15.00000 -1.0 2.0
END
