* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    160    238     469
    1     0 S   NP   _N1_     1    29.22716    95.03034   -25.89515
    2     1 S   H    _HN1     2     1.02827    28.74675  -162.58466
    3     1 S   H    _H1_     3     1.02792   121.78384   -94.81884
    4     1 S   H    _H2_     4     1.02948    78.59140     9.84421
    5     1 S   CT   _CA1     5     1.50120   118.93959   117.00484
    6     5 S   HC   _HA1     6     1.09574   105.17423    89.74790
    7     5 S   CO3  _C1_     7     1.53778   112.45050   -30.46561
    8     7 S   O2Z  _O11     8     1.26375   115.00875   -42.90963
    9     7 S   O2Z  _O12     9     1.26238   114.94263   136.13444
   10     5 S   CT   _CB1    10     1.53065   107.40695  -152.28998
   11    10 S   HC   HB11    11     1.09838   109.34550   -49.56691
   12    10 S   HC   HB12    12     1.09811   110.47015    67.03405
   13    10 S   CT   _CG1    13     1.53004   112.61983  -170.51701
   14    13 S   HC   HG11    14     1.09576   110.68364   -66.59931
   15    13 S   HC   HG12    15     1.09671   109.73648    52.63944
   16    13 S   C    _CD1    16     1.51810   112.09979   173.10400
   17    16 S   O    _OE1    17     1.22747   123.22026     9.85694
   18    16 S   N    _N2_    18     1.38642   111.74836  -170.13799
   19    18 S   H    _HN2    19     1.01569   119.02920     1.23511
   20    18 S   CT1  _CA2    20     1.46226   123.42599   177.21765
   21    20 S   HC   _HA2    21     1.09748   109.24499     7.15607
   22    20 S   C    _C2_    22     1.53696   109.07764  -108.32412
   23    22 S   O    _O2_    23     1.23091   122.22894  -150.58945
   24    20 S   CT   _CB2    32     1.53435   111.59377   129.05545
   25    24 S   HC   HB21    33     1.09551   109.76513    56.21855
   26    24 S   HC   HB22    34     1.09209   109.65476   174.90369
   27    22 S   N    _N3_    24     1.38312   113.92269    36.98580
   28    27 S   H    _HN3    25     1.01544   119.59388    -3.33043
   29    24 S   S    _SG2    35     1.83271   111.07415   -64.67218
   30    27 S   CT   _CA3    26     1.45276   123.26755   177.12690
   31    30 S   HC   HA31    27     1.09550   107.52548   -64.49869
   32    30 S   HC   HA32    28     1.09558   107.97848    51.95154
   33    29 S   CT   _C15    36     1.86648   101.99168  -172.99789
   34    33 S   OM   _O35    37     1.32386   108.54944   -57.68117
   35    30 S   CO3  _C3_    29     1.52972   114.05686   173.95668
   36    35 S   O2Z  _O31    30     1.26380   116.08217    -0.00000
   37    35 S   O2Z  _O32    31     1.26427   114.41384  -180.00000
   38    33 S   CT   _C14    38     1.55643   106.21528  -173.24422
   39    38 S   HC   _H20    39     1.09906   108.89474    62.44036
   40    38 S   HC   _H21    40     1.09823   110.22683   -53.19087
   41    38 S   CT   _C13    41     1.55489   115.04637  -175.13619
   42    41 S   HC   _H4_    42     1.09906   107.77441   -66.58186
   43    41 S   CT   _C12    43     1.53618   110.41396    50.74869
   44    43 S   HC   _H18    44     1.09551   109.92606  -166.75706
   45    43 S   HC   _H19    45     1.09502   111.21170    74.19948
   46    41 S   CT   _C16    70     1.57439   111.86259   175.56451
   47    46 S   HC   _H5_    71     1.09952   107.42731   -61.52471
   48    43 S   CO4  _C11    46     1.51195   113.26339   -47.99100
   49    48 S   O    _O34    47     1.23289   120.79768  -136.02636
   50    46 S   CT   _C17    72     1.54623   111.17220  -179.20919
   51    50 S   HC   _H22    73     1.09495   110.06394    59.57168
   52    50 S   HC   _H23    74     1.09750   109.53670   -57.59269
   53    33 S   CT   _C10    48     1.55495   112.71511    63.70861
   54    53 S   HC   _H3_    49     1.10109   108.91049   -77.49706
   55    50 S   CT   _C18    75     1.52776   114.40356   179.30959
   56    55 S   HC   _H24    76     1.09705   108.41980  -178.71976
   57    55 S   HC   _H25    77     1.09763   109.71115   -63.13375
   58    53 S   CD   _C7_    50     1.54167   115.62032    42.05969
   59    55 S   CT   _C19    78     1.51777   113.33004    60.72708
   60    59 S   HC   _H26    79     1.09503   111.09757    58.89206
   61    59 S   HC   _H27    80     1.09458   109.90347   177.71973
   62    58 S   CT   _C6_    51     1.52445   117.36632  -129.00373
   63    62 S   HC   _H11    52     1.09474   109.26005    29.15999
   64    62 S   HC   _H12    53     1.09535   109.72485   145.31704
   65    58 S   NI   _N4_    61     1.29969   118.85614    54.23785
   66    59 S   S    _S1_    81     1.80722   110.63755   -62.70346
   67    62 S   CT   _C5_    54     1.52540   110.66158   -91.99107
   68    67 S   HC   _H9_    55     1.09618   110.29333   -56.62229
   69    67 S   HC   _H10    56     1.09578   109.96197    60.64213
   70    65 S   OS   _O33    62     1.39856   111.88811   178.15178
   71    46 S   CT   _C20    82     1.54192   111.29406    56.64105
   72    71 S   HC   _H28    83     1.09229   110.93659   -60.17776
   73    71 S   HC   _H29    84     1.09557   110.71661    59.05685
   74    67 S   CT   _C4_    57     1.51976   111.44534  -178.16634
   75    74 S   HC   _H6_    58     1.09469   110.99733   -59.99113
   76    74 S   HC   _H7_    59     1.09448   110.26728  -179.73459
   77    74 S   HC   _H8_    60     1.09469   110.98445    60.53905
   78    70 S   CT   _C8_    63     1.42354   108.11974   179.27774
   79    78 S   HC   _H13    64     1.09580   109.58984   -60.11487
   80    78 S   HC   _H14    65     1.09582   109.60338    59.64316
   81    78 S   CT   _C9_    66     1.51517   108.47265   179.75934
   82    81 S   HC   _H15    67     1.09506   110.60790   -59.10409
   83    81 S   HC   _H16    68     1.09504   110.61216    59.13409
   84    81 S   HC   _H17    69     1.09354   110.91876  -179.98022
  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  10   5   4   3
  15   8   2   1   1  15   6   5  17   8  11   5   4  13   8   6
   3  12   6   5   8   3   7   5   4  10   6   3   2  11   6   5
   6   3   6   5   4   7   2   1   1   3   2   1   1   6   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    53    54    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    53    54    58    62    65    46  
   38    39    40    41    48    53    54    58  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    53    54    58    46    47    50    71  
   40    41    42    43    53    46  
   41    42    43    53    46  
   42    43    44    45    48    49    53    46    47    50    51    52    55    66    71    72    73  
   43    44    45    48    46    47    50    71  
   44    45    48    49    53    54    58    46    47    50    71  
   45    48    49    53    46  
   48    49    53    46  
   47    50    51    52    55    56    57    59    66    71    72    73    48  
   50    51    52    55    66    71    72    73  
   49    53    54    58    62    65  
   53    54    58  
   51    52    55    56    57    59    60    61    66    71    72    73  
   52    55    56    57    59    71  
   55    56    57    59    71  
   54    58    62    63    64    67    65    70  
   58    62    65  
   56    57    59    60    61    66    71  
   57    59    60    61    66  
   59    60    61    66  
   62    63    64    67    68    69    74    65    70    78  
   60    61    66    71    72    73  
   61    66    71  
   66    71  
   63    64    67    68    69    74    75    76    77    65    70  
   64    67    68    69    74    65  
   67    68    69    74    65  
   70    78    79    80    81    67  
   71    72    73  
   68    69    74    75    76    77  
   69    74    75    76    77  
   74    75    76    77  
   78    79    80    81    82    83    84  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660   0.047500   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   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   66   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    54   340.000  1.090
   53    58   270.000  1.508
   58    62   270.000  1.508
   58    65   500.000  1.261
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    70   320.000  1.394
   70    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    71   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   222.000  1.810
   66    71   222.000  1.810
   71    72   340.000  1.090
   71    73   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    48    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    58    70.00000  111.76100
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    63.00000  111.10000
   41    46    47    37.50000  110.70000
   41    46    50    58.35000  112.70000
   41    46    71    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    48    49    80.00000  120.40000
   43    48    53    70.00000  116.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    54    35.00000  109.50000
   48    53    58    70.00000  109.29000
   53    33    34    50.00000  109.50000
   53    33    38    58.35000  112.70000
   53    48    49    80.00000  120.40000
   53    58    62    65.00000  114.98000
   53    58    65    65.00000  122.10100
   58    53    54    45.00000  109.49600
   58    62    63    45.00000  109.49600
   58    62    64    45.00000  109.49600
   58    62    67    70.00000  111.76100
   58    65    70   100.00000  109.52600
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    58    62    65.00000  122.10100
   65    70    78   110.00000  106.71400
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    50.00000  109.50000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    55    58.35000  112.70000
   46    71    66    75.00000  111.63000
   46    71    72    37.50000  110.70000
   46    71    73    37.50000  110.70000
   50    46    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    59    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    66    75.00000  111.63000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    66    71    62.00000   98.90000
   61    59    60    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    61    35.00000  109.50000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   71    46    47    37.50000  110.70000
   71    46    50    58.35000  112.70000
   73    71    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    53    58    62   0.46850  1.0 1.0
   33    53    58    62   0.08550 -1.0 2.0
   33    53    58    62   0.09800  1.0 3.0
   33    53    58    65   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    53    48  -0.09450  1.0 1.0
   34    33    53    48  -1.12950 -1.0 2.0
   34    33    53    48   0.54000  1.0 3.0
   34    33    53    54   0.23400  1.0 3.0
   34    33    53    58   0.61850  1.0 1.0
   34    33    53    58  -0.22750 -1.0 2.0
   34    33    53    58   0.15300  1.0 3.0
   38    33    53    48  -0.95700  1.0 1.0
   38    33    53    48  -0.18200 -1.0 2.0
   38    33    53    48   0.29450  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    58   0.34400  1.0 1.0
   38    33    53    58   0.09450 -1.0 2.0
   38    33    53    58   0.11100  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48  -0.95700  1.0 1.0
   38    41   -43    48  -0.18200 -1.0 2.0
   38    41   -43    48   0.29450  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    50   0.56750  1.0 1.0
   38    41    46    50  -0.07550 -1.0 2.0
   38    41    46    50   0.20000  1.0 3.0
   38    41    46    71   0.56750  1.0 1.0
   38    41    46    71  -0.07550 -1.0 2.0
   38    41    46    71   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    48    49   0.30150 -1.0 2.0
   41    43    48    53   0.60050  1.0 1.0
   41    43    48    53   0.05600 -1.0 2.0
   41    43    48    53   0.26150  1.0 3.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    55   0.56750  1.0 1.0
   41    46    50    55  -0.07550 -1.0 2.0
   41    46    50    55   0.20000  1.0 3.0
   41    46    71    66   0.44750  1.0 1.0
   41    46    71    66  -0.17800 -1.0 2.0
   41    46    71    66   0.20200  1.0 3.0
   41    46    71    72   0.15000  1.0 3.0
   41    46    71    73   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48  -0.11250  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   42    41    46    71   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   43    41    46    71   0.56750  1.0 1.0
   43    41    46    71  -0.07550 -1.0 2.0
   43    41    46    71   0.20000  1.0 3.0
   43    48   -53    33   0.60050  1.0 1.0
   43    48   -53    33   0.05600 -1.0 2.0
   43    48   -53    33   0.26150  1.0 3.0
   43    48    53    54   0.00000  1.0 1.0
   43    48    53    58   0.65300  1.0 1.0
   43    48    53    58  -0.03850 -1.0 2.0
   43    48    53    58   0.33900  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    58    62   0.17250  1.0 1.0
   48    53    58    62  -0.04100 -1.0 2.0
   48    53    58    62  -0.33850  1.0 3.0
   48    53    58    65   0.00000  1.0 1.0
   49    48    53    33   0.30150 -1.0 2.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    58   0.30150 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    58    62    63   0.00000  1.0 1.0
   53    58    62    64   0.00000  1.0 1.0
   53    58    62    67   0.46850  1.0 1.0
   53    58    62    67   0.08550 -1.0 2.0
   53    58    62    67   0.09800  1.0 3.0
   53    58    65    70   6.00000 -1.0 2.0
   54    53    58    62   0.00000  1.0 1.0
   54    53    58    65   0.00000  1.0 1.0
   58    62    67    68   0.15000  1.0 3.0
   58    62    67    69   0.15000  1.0 3.0
   58    62    67    74   0.34400  1.0 1.0
   58    62    67    74   0.09450 -1.0 2.0
   58    62    67    74   0.11100  1.0 3.0
   58    65    70    78   1.50000 -1.0 2.0
   62    58    65    70   6.00000 -1.0 2.0
   62    67    74    75   0.15000  1.0 3.0
   62    67    74    76   0.15000  1.0 3.0
   62    67    74    77   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    74   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    74   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   65    58    62    63   0.00000  1.0 1.0
   65    58    62    64   0.00000  1.0 1.0
   65    58    62    67   0.00000  1.0 1.0
   65    70    78    79   0.37500  1.0 3.0
   65    70    78    80   0.37500  1.0 3.0
   65    70    78    81   0.37500  1.0 3.0
   70    78    81    82   0.23400  1.0 3.0
   70    78    81    83   0.23400  1.0 3.0
   70    78    81    84   0.23400  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    48  -0.95700  1.0 1.0
   46    41    43    48  -0.18200 -1.0 2.0
   46    41    43    48   0.29450  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    59   0.56750  1.0 1.0
   46    50    55    59  -0.07550 -1.0 2.0
   46    50    55    59   0.20000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    55   0.15000  1.0 3.0
   47    46    71    66   0.15000  1.0 3.0
   47    46    71    72   0.15000  1.0 3.0
   47    46    71    73   0.15000  1.0 3.0
   50    46    71    66   0.44750  1.0 1.0
   50    46    71    66  -0.17800 -1.0 2.0
   50    46    71    66   0.20200  1.0 3.0
   50    46    71    72   0.15000  1.0 3.0
   50    46    71    73   0.15000  1.0 3.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.15000  1.0 3.0
   50    55   -59    66   0.44750  1.0 1.0
   50    55   -59    66  -0.17800 -1.0 2.0
   50    55   -59    66   0.20200  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    59   0.15000  1.0 3.0
   55    59    66    71   0.01700  1.0 1.0
   55    59    66    71  -0.23550 -1.0 2.0
   55    59    66    71   0.21350  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    66   0.15000  1.0 3.0
   59    66   -71    46   0.01700  1.0 1.0
   59    66   -71    46  -0.23550 -1.0 2.0
   59    66   -71    46   0.21350  1.0 3.0
   59    66    71    72   0.32350  1.0 3.0
   59    66    71    73   0.32350  1.0 3.0
   60    59    66    71   0.32350  1.0 3.0
   61    59    66    71   0.32350  1.0 3.0
   71    46    50    51   0.15000  1.0 3.0
   71    46    50    52   0.15000  1.0 3.0
   71    46   -50    55   0.56750  1.0 1.0
   71    46   -50    55  -0.07550 -1.0 2.0
   71    46   -50    55   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    53    48    49  10.50000 -1.0 2.0
   53    62    58    65  10.50000 -1.0 2.0
END
