* LIGAND DATABASE FILE (OPLS2005)
*
001      84    88    162    260     474
    1     0 S   NP   _N1_     1    28.61717    94.22361   -21.56173
    2     1 S   H    _HN1     2     1.02779    91.06668   -79.51200
    3     1 S   H    _H1_     3     1.02958    90.53400    28.83400
    4     1 S   H    _H2_     4     1.02837    29.47945   154.24113
    5     1 S   CT   _CA1     5     1.50129   140.21190   152.61597
    6     5 S   HC   _HA1     6     1.09568   105.24449    60.09880
    7     5 S   CO3  _C1_     7     1.53825   112.31244   -60.17882
    8     7 S   O2Z  _O11     8     1.26378   115.00562   -43.91143
    9     7 S   O2Z  _O12     9     1.26221   114.97040   135.27044
   10     5 S   CT   _CB1    10     1.53103   107.42028   178.09998
   11    10 S   HC   HB11    11     1.09822   109.48199   -49.33466
   12    10 S   HC   HB12    12     1.09819   110.36752    67.26625
   13    10 S   CT   _CG1    13     1.52996   112.63295  -170.37445
   14    13 S   HC   HG11    14     1.09517   110.45556   -60.92484
   15    13 S   HC   HG12    15     1.09644   110.01237    58.14602
   16    13 S   C    _CD1    16     1.51836   112.26980   178.38033
   17    16 S   O    _OE1    17     1.22722   123.23778    -6.65591
   18    16 S   N    _N2_    18     1.38578   111.67028   173.92591
   19    18 S   H    _HN2    19     1.01623   118.91649     0.21580
   20    18 S   CT1  _CA2    20     1.46269   123.52974   179.97202
   21    20 S   HC   _HA2    21     1.09726   109.48074    -7.65924
   22    20 S   C    _C2_    22     1.53445   108.39633  -123.36748
   23    22 S   O    _O2_    23     1.23025   122.17977  -145.98811
   24    20 S   CT   _CB2    32     1.53378   111.16478   114.48128
   25    24 S   HC   HB21    33     1.09408   109.34914    55.11102
   26    24 S   HC   HB22    34     1.09502   110.80774   173.61927
   27    22 S   N    _N3_    24     1.38488   113.45064    41.39680
   28    27 S   H    _HN3    25     1.01516   118.91667    -0.77278
   29    24 S   S    _SG2    35     1.82761   111.48492   -66.98301
   30    27 S   CT   _CA3    26     1.45459   123.54099   175.13997
   31    30 S   HC   HA31    27     1.09517   109.33926    22.28914
   32    30 S   HC   HA32    28     1.09499   107.09269   139.30866
   33    29 S   CT   _C22    36     1.83521    99.97852   157.04874
   34    33 S   HC   _H3_    37     1.09797   105.21007    51.81066
   35    30 S   CO3  _C3_    29     1.52921   113.05953  -101.26202
   36    35 S   O2Z  _O31    30     1.26405   115.38959   -44.69261
   37    35 S   O2Z  _O32    31     1.26353   114.99502   136.22715
   38    33 S   CT   _C21    38     1.54515   115.49399   -68.94737
   39    38 S   HC   _H42    39     1.09831   106.72700    79.43634
   40    38 S   CT   _C19    40     1.55540   112.86493  -160.30261
   41    40 S   HC   _H40    41     1.09914   110.00859   100.00746
   42    38 S   CO4  _C14    78     1.52421   113.45162   -36.10905
   43    42 S   O    _O24    79     1.22561   122.99924   120.00855
   44    40 S   CM   _C13    42     1.51465   112.08057   -17.38007
   45    40 S   CT   _C16    68     1.55015   109.75114  -142.74071
   46    45 S   HC   _H35    69     1.09984   109.66430    47.41821
   47    45 S   HC   _H36    70     1.09753   109.20790   -68.81855
   48    42 S   OS   _O26    80     1.36278   111.26024   -60.09492
   49    44 S   CM   _C12    43     1.34334   120.29950  -137.38399
   50    49 S   HC   _H32    44     1.08508   121.35445   178.15072
   51    44 S   CT   _C20    71     1.51057   117.32998    42.81663
   52    51 S   HC   _H41    72     1.09741   109.83896  -130.88889
   53    48 S   CT   _C24    81     1.43041   115.55205   179.07783
   54    53 S   HC   _H47    82     1.09321   108.09144   171.22108
   55    53 S   HC   _H48    83     1.09431   110.91292    52.30994
   56    53 S   HC   _H49    84     1.09319   109.66254   -70.43673
   57    49 S   NE   _N23    45     1.38222   124.71414    -3.91512
   58    33 S   OS   _O25    73     1.43002   110.11968   167.59536
   59    51 S   CT   _C23    74     1.52525   111.94471   107.81809
   60    59 S   HC   _H44    75     1.09630   111.03043   -60.42614
   61    59 S   HC   _H45    76     1.09573   110.30327  -178.31136
   62    59 S   HC   _H46    77     1.09452   111.89728    61.02510
   63    57 S   CT   _C17    46     1.47655   122.37268  -178.11664
   64    63 S   HC   _H37    47     1.09753   108.51762   101.22970
   65    63 S   HC   _H38    48     1.09669   110.97173   -16.17580
   66    63 S   CT   _C15    49     1.54258   111.48331  -137.35479
   67    66 S   HC   _H33    50     1.09539   109.51688  -172.03250
   68    66 S   HC   _H34    51     1.09686   109.54354    69.98908
   69    66 S   C5B  _C9_    52     1.48884   110.50027   -49.76981
   70    69 S   C56B _C8_    53     1.42077   131.41332  -155.61330
   71    69 S   C5A  _C11    65     1.37799   120.98680    24.70768
   72    70 S   CA   _C6_    54     1.40924   134.47428    -0.24866
   73    72 S   HA   _H30    55     1.08617   120.73330    -0.14402
   74    57 S   CT   _C18    66     1.48991   119.39522   -10.39215
   75    74 S   HC   _H39    67     1.09845   107.93741   -78.86821
   76    72 S   CA   _C4_    56     1.39952   119.29177   179.88297
   77    76 S   HA   _H28    57     1.08688   119.52088   179.97202
   78    76 S   CA   _C5_    58     1.39323   120.76643    -0.03956
   79    78 S   HA   _H29    59     1.08716   119.55395  -180.00000
   80    78 S   CA   _C7_    60     1.39782   121.04922    -0.02798
   81    80 S   HA   _H31    61     1.08494   120.90358  -179.95577
   82    70 S   C56A _C10    62     1.39978   106.81851   179.59749
   83    82 S   NA   _N22    63     1.37956   107.49808    -0.01978
   84    83 S   H    _H50    64     1.01088   124.81120  -179.67016
  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   8   5   4   3
  14   6   2   1   1  15   8  18   8   9   2  15  11   5   4   4
  13   4   7   5   3   2   1   1  11   4   3   2   1   1  10   6
   5   9   4   3  11  12   7   8   4   4   1   6   3   5   3   4
   2   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    51    52    58    59    42    43    48  
   38    39    40    51    58    42  
   36    37  
   37  
    0  
   39    40    41    44    49    74    45    46    47    51    58    42    43    48    53  
   40    41    44    45    58    42    43    48  
   41    44    49    50    57    71    74    75    45    46    47    51    52    58    59    42    43    48  
   44    49    74    45    46    47    51    42  
   43    48    53    54    55    56    44    45    58  
   48    53  
   49    50    57    63    74    45    46    47    51    52    58    59    60    61    62  
   46    47    51    49    57    63    69    71    74    75    83  
   47    57    71    74    75  
   57    71    74    75  
   53    54    55    56  
   50    57    63    64    65    66    71    74    75    51    52    58    59  
   57    63    74    51  
   52    58    59    60    61    62    57  
   58    59    60    61    62  
   54    55    56  
   55    56  
   56  
    0  
   63    64    65    66    67    68    69    83    71    74    75  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    74    75  
   65    66    67    68    69    74  
   66    67    68    69    74  
   67    68    69    70    72    82    83    71    74  
   68    69    70    71  
   69    70    71  
   70    72    73    76    80    82    83    84    71    74    75  
   72    73    76    77    78    80    81    82    83    84    71    74  
   74    75    72    80    82    83    84  
   73    76    77    78    79    80    82    83  
   76    77    78    82  
   75    82    83    84  
   83  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83    84  
   82    83  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.318900   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.2500   0.1700  -0.488600   1.9050   1.6860   0.051222218  -2.220205820
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.290300   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   84   0.5000   0.0300   0.357700   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    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   268.000  1.529
   33    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.510
   40    45   268.000  1.529
   44    49   549.000  1.340
   44    51   317.000  1.510
   49    50   340.000  1.080
   49    57   425.000  1.378
   57    63   382.000  1.448
   57    74   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   295.000  1.494
   69    70   380.000  1.440
   69    71   520.000  1.370
   70    72   469.000  1.404
   70    82   447.000  1.419
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   428.000  1.380
   83    84   434.000  1.010
   83    71   427.000  1.381
   71    74   295.000  1.489
   74    75   340.000  1.090
   74    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   570.000  1.229
   42    48   214.000  1.327
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  111.63000
   29    33    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    58    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    70.00000  112.02700
   38    40    45    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    48    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    49    70.00000  124.00000
   40    44    51    65.00000  117.92700
   40    45    74    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    57    70.00000  124.03900
   44    51    52    35.00000  109.50000
   44    51    58    85.00000  110.90400
   44    51    59    70.00000  112.02700
   49    57    63    50.00000  121.00000
   49    57    74    50.00000  121.00000
   57    49    50    50.00000  112.30800
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    66    80.00000  111.61500
   57    74    71    75.00000  112.06000
   57    74    75    35.00000  109.50000
   57    74    45    80.00000  111.61500
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    70.00000  112.62400
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    55.00000  128.73000
   66    69    71    55.00000  127.77900
   68    66    67    33.00000  107.80000
   69    66    67    45.00000  111.11700
   69    66    68    45.00000  111.11700
   69    70    72    50.00000  134.85500
   69    70    82    80.00000  107.43600
   69    71    83    70.00000  106.30000
   69    71    74    55.00000  130.44200
   70    72    73    35.00000  120.00000
   70    72    76    63.00000  120.00000
   70    82    80    85.00000  122.70000
   70    82    83    70.00000  104.40000
   72    76    77    35.00000  120.00000
   72    76    78    63.00000  120.00000
   76    72    73    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    85.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    70.00000  132.80000
   82    70    72    85.00000  116.20000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  123.10000
   82    83    71    90.00000  107.14200
   83    71    74    65.00000  122.56900
   71    69    70    80.00000  105.82900
   71    83    84    35.00000  120.00000
   71    74    75    45.00000  110.47400
   71    74    45    70.00000  113.44400
   74    57    63    50.00000  115.00000
   74    45    46    37.50000  110.70000
   74    45    47    37.50000  110.70000
   45    40    41    37.50000  110.70000
   45    40    44    70.00000  112.02700
   45    74    75    37.50000  110.70000
   47    45    46    33.00000  107.80000
   51    44    49    70.00000  124.00000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    48    53    83.00000  116.90000
   48    42    43    83.00000  123.40000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.34400  1.0 1.0
   33    38    40    44   0.09450 -1.0 2.0
   33    38    40    44   0.11100  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51   0.06250  1.0 1.0
   38    33    58    51  -0.01100 -1.0 2.0
   38    33    58    51   0.28050  1.0 3.0
   38    40    44    49   0.09850  1.0 1.0
   38    40    44    49   0.15250 -1.0 2.0
   38    40    44    49  -0.50650  1.0 3.0
   38    40   -44    51   0.46850  1.0 1.0
   38    40   -44    51   0.08550 -1.0 2.0
   38    40   -44    51   0.09800  1.0 3.0
   38    40    45    74   0.56750  1.0 1.0
   38    40    45    74  -0.07550 -1.0 2.0
   38    40    45    74   0.20000  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    42    48    53   1.63150  1.0 1.0
   38    42    48    53   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    48   0.36750  1.0 3.0
   40    44    49    50   7.00000 -1.0 2.0
   40    44    49    57   7.00000 -1.0 2.0
   40    44    51    52   0.34800  1.0 3.0
   40    44    51    58   0.09700  1.0 1.0
   40    44    51    58   0.15600 -1.0 2.0
   40    44    51    58  -0.50800  1.0 3.0
   40    44    51    59   0.46850  1.0 1.0
   40    44    51    59   0.08550 -1.0 2.0
   40    44    51    59   0.09800  1.0 3.0
   41    40    44    49   0.00000  1.0 1.0
   41    40    44    51   0.34800  1.0 3.0
   41    40    45    74   0.15000  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   44    40    45    74   0.34400  1.0 1.0
   44    40    45    74   0.09450 -1.0 2.0
   44    40    45    74   0.11100  1.0 3.0
   44    40    45    46   0.15000  1.0 3.0
   44    40    45    47   0.15000  1.0 3.0
   44    49    57    63  -0.54700  1.0 1.0
   44    49    57    63   1.23000 -1.0 2.0
   44    49   -57    74  -0.54700  1.0 1.0
   44    49   -57    74   1.23000 -1.0 2.0
   44    51   -58    33  -0.77900  1.0 1.0
   44    51   -58    33  -0.36900 -1.0 2.0
   44    51   -58    33   0.40400  1.0 3.0
   44    51    59    60   0.15000  1.0 3.0
   44    51    59    61   0.15000  1.0 3.0
   44    51    59    62   0.15000  1.0 3.0
   49    44    51    52   0.00000  1.0 1.0
   49    44    51    58   0.39000  1.0 1.0
   49    44    51    58  -0.05800 -1.0 2.0
   49    44    51    58  -0.55150  1.0 3.0
   49    44    51    59   0.09850  1.0 1.0
   49    44    51    59   0.15250 -1.0 2.0
   49    44    51    59  -0.50650  1.0 3.0
   49    57    63    64   0.00000  1.0 1.0
   49    57    63    65   0.00000  1.0 1.0
   49    57    63    66   0.25450  1.0 1.0
   49    57    63    66  -0.61700 -1.0 2.0
   49    57    63    66  -0.23550  1.0 3.0
   49    57    74    71  -0.12500  1.0 1.0
   49    57    74    71  -0.12500 -1.0 2.0
   49    57    74    71   0.25000  1.0 3.0
   49    57    74    75   0.00000  1.0 1.0
   49    57    74    45   0.25450  1.0 1.0
   49    57    74    45  -0.61700 -1.0 2.0
   49    57    74    45  -0.23550  1.0 3.0
   50    49    57    63   0.00000  1.0 1.0
   50    49    57    74   0.00000  1.0 1.0
   57    63    66    67   0.22950  1.0 3.0
   57    63    66    68   0.22950  1.0 3.0
   57    63    66    69   0.08550  1.0 1.0
   57    63    66    69   1.07500 -1.0 2.0
   57    63    66    69  -0.10950  1.0 3.0
   57    74   -45    40   1.26750  1.0 1.0
   57    74   -45    40  -0.00950 -1.0 2.0
   57    74   -45    40   0.30600  1.0 3.0
   57    74    45    46   0.22950  1.0 3.0
   57    74    45    47   0.22950  1.0 3.0
   63    57    74    71   0.00000  1.0 1.0
   63    57    74    75   0.00000  1.0 1.0
   63    57    74    45   0.00000  1.0 1.0
   63    66    69    70   0.04150 -1.0 2.0
   63    66   -69    71   0.04150 -1.0 2.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.43200  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.43200  1.0 3.0
   66    69    70    72   3.62500 -1.0 2.0
   66    69    70    82   3.62500 -1.0 2.0
   66    69    71    83   3.62500 -1.0 2.0
   66    69    71    74   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    76   3.62500 -1.0 2.0
   69    70    82    80   3.00000 -1.0 2.0
   69    70   -82    83   3.00000 -1.0 2.0
   69    71   -74    57  -0.06000  1.0 1.0
   69    71   -74    57   0.30500 -1.0 2.0
   69    71   -74    57   0.09200  1.0 3.0
   69    71    74    75   0.00000  1.0 1.0
   69    71    74    45   0.04150 -1.0 2.0
   70    69   -71    83   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   70    72    76    77   3.62500 -1.0 2.0
   70    72    76    78   3.62500 -1.0 2.0
   70    82    83    84   1.52500 -1.0 2.0
   70    82   -83    71   3.62500 -1.0 2.0
   72    70    82    80   3.00000 -1.0 2.0
   72    70    82    83   3.00000 -1.0 2.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76   -78    80   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -82    70   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    83    84   1.52500 -1.0 2.0
   80    82    83    71   3.62500 -1.0 2.0
   81    80    82    70   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    70    72    73   3.50000 -1.0 2.0
   82    70   -72    76   3.50000 -1.0 2.0
   82    83   -71    69   3.62500 -1.0 2.0
   82    83    71    74   3.62500 -1.0 2.0
   83    71    74    57   0.04300 -1.0 2.0
   83    71    74    75   0.00000  1.0 1.0
   83    71    74    45   0.39850  1.0 1.0
   83    71    74    45   0.06450 -1.0 2.0
   83    71    74    45   0.32400  1.0 3.0
   84    83    71    69   1.40000 -1.0 2.0
   84    83    71    74   2.00000 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69   -70    82   3.50000 -1.0 2.0
   71    74    45    40  -0.03700  1.0 1.0
   71    74    45    40   0.37200 -1.0 2.0
   71    74    45    40  -0.47300  1.0 3.0
   71    74    45    46   0.43200  1.0 3.0
   71    74    45    47   0.43200  1.0 3.0
   74    57    63    64   0.00000  1.0 1.0
   74    57    63    65   0.00000  1.0 1.0
   74    57   -63    66   0.00000  1.0 1.0
   75    74    45    40   0.15000  1.0 3.0
   75    74    45    46   0.15000  1.0 3.0
   75    74    45    47   0.15000  1.0 3.0
   45    40   -44    49   0.09850  1.0 1.0
   45    40   -44    49   0.15250 -1.0 2.0
   45    40   -44    49  -0.50650  1.0 3.0
   45    40    44    51   0.46850  1.0 1.0
   45    40    44    51   0.08550 -1.0 2.0
   45    40    44    51   0.09800  1.0 3.0
   51    44    49    50   7.00000 -1.0 2.0
   51    44    49    57   7.00000 -1.0 2.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42  -0.09450  1.0 1.0
   58    33    38    42  -1.12950 -1.0 2.0
   58    33    38    42   0.54000  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.98800  1.0 1.0
   42    38    40    44   0.48800 -1.0 2.0
   42    38    40    44   0.76800  1.0 3.0
   42    38    40    45  -0.95700  1.0 1.0
   42    38    40    45  -0.18200 -1.0 2.0
   42    38    40    45   0.29450  1.0 3.0
   42    48    53    54   0.08050  1.0 3.0
   42    48    53    55   0.08050  1.0 3.0
   42    48    53    56   0.08050  1.0 3.0
   43    42    48    53   3.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   40    51    44    49   1.10000 -1.0 2.0
   57    50    49    44   1.10000 -1.0 2.0
   74    49    57    63   1.00000 -1.0 2.0
   70    71    69    66   4.00000 -1.0 2.0
   72    82    70    69   4.00000 -1.0 2.0
   76    73    72    70   1.10000 -1.0 2.0
   78    77    76    72   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    83    82    70   4.00000 -1.0 2.0
   84    82    83    71   1.00000 -1.0 2.0
   83    74    71    69   4.00000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
END
