* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    233     442
    1     0 S   NP   _N1_     1    29.03862    92.60679   -21.41630
    2     1 S   H    _HN1     2     1.02771    90.95610   -75.19832
    3     1 S   H    _H1_     3     1.03485   101.93981    31.99243
    4     1 S   H    _H2_     4     1.02750    20.50871   138.06797
    5     1 S   CT   _CA1     5     1.49783   130.32239   163.94817
    6     5 S   HC   _HA1     6     1.09595   105.07678    54.68953
    7     5 S   CO3  _C1_     7     1.53767   112.85492   -65.17541
    8     7 S   O2Z  _O11     8     1.26266   115.35937   -45.92353
    9     7 S   O2Z  _O12     9     1.26329   114.79055   133.44734
   10     5 S   CT   _CB1    10     1.53030   107.43899   172.30790
   11    10 S   HC   HB11    11     1.09825   109.27738   -50.72946
   12    10 S   HC   HB12    12     1.09845   110.47103    65.77749
   13    10 S   CT   _CG1    13     1.53066   112.62119  -172.02191
   14    13 S   HC   HG11    14     1.09588   110.20774   -62.57176
   15    13 S   HC   HG12    15     1.09607   110.34203    56.75094
   16    13 S   C    _CD1    16     1.51617   111.83203   176.72159
   17    16 S   O    _OE1    17     1.22706   123.09047   -16.29641
   18    16 S   N    _N2_    18     1.38524   112.23907   164.35551
   19    18 S   H    _HN2    19     1.01581   119.35318     1.89599
   20    18 S   CT1  _CA2    20     1.46103   122.67771  -175.69411
   21    20 S   HC   _HA2    21     1.09617   109.15061   -15.72574
   22    20 S   C    _C2_    22     1.53288   108.82640  -131.19062
   23    22 S   O    _O2_    23     1.23009   122.19332  -147.04874
   24    20 S   CT   _CB2    32     1.53436   111.55502   106.16394
   25    24 S   HC   HB21    33     1.09657   109.50442    62.74757
   26    24 S   HC   HB22    34     1.09561   111.09439  -179.80719
   27    22 S   N    _N3_    24     1.38499   113.31594    40.58406
   28    27 S   H    _HN3    25     1.01530   118.90832    -0.84604
   29    24 S   S    _SG2    35     1.82790   114.16552   -56.56908
   30    27 S   CT   _CA3    26     1.45432   123.34472   174.41279
   31    30 S   HC   HA31    27     1.09532   109.05885    27.36771
   32    30 S   HC   HA32    28     1.09486   107.15620   144.40956
   33    29 S   CT   _C20    36     1.82267   100.01873   -74.51769
   34    33 S   HC   _H16    37     1.09537   107.26489   -63.75456
   35    33 S   HC   _H17    38     1.09332   110.10810    52.94746
   36    30 S   CO3  _C3_    29     1.52971   113.31694   -95.92561
   37    36 S   O2Z  _O31    30     1.26391   115.55551   -39.74162
   38    36 S   O2Z  _O32    31     1.26376   114.87283   141.18689
   39    33 S   CT   _C18    39     1.53425   110.42192   175.46819
   40    39 S   HC   _H6_    40     1.09559   111.10481    42.88963
   41    39 S   CO4  _C19    41     1.50164   108.76567   158.57356
   42    41 S   O    _O37    42     1.22254   125.09003   -64.95023
   43    41 S   OS   _O38    43     1.35306   111.01254   114.40311
   44    43 S   CT   _C16    44     1.43529   111.76880    -1.33222
   45    44 S   HC   _H4_    45     1.09252   104.96511   129.75949
   46    44 S   CT   _C15    46     1.54694   107.43181  -112.35246
   47    46 S   HC   _H14    47     1.09832   109.38718   -41.69385
   48    46 S   HC   _H15    48     1.09760   108.05924    72.08569
   49    39 S   CT   _C17    60     1.54762   114.43290   -85.20653
   50    49 S   HC   _H5_    61     1.09463   108.75467    14.10173
   51    46 S   CT   _C14    49     1.54094   114.81599  -165.37937
   52    51 S   CO4  _C13    50     1.50974   111.42031    76.29154
   53    52 S   O    _O35    51     1.22078   126.39435    76.42919
   54    51 S   CT   _C21    78     1.52159   112.87333  -158.82508
   55    54 S   HC   _H18    79     1.09408   111.11895    61.26261
   56    54 S   HC   _H19    80     1.09503   111.50823   -59.84049
   57    54 S   HC   _H20    81     1.09625   110.97180   179.68472
   58    52 S   CM   _C12    52     1.45517   110.04750  -100.54728
   59    58 S   HC   _H13    53     1.07377   127.06352   164.62650
   60    58 S   CM   _C11    54     1.33273   101.18138    -5.89329
   61    60 S   CM   _C10    55     1.44468   125.46169   166.70964
   62    51 S   OS   _O36    77     1.43574   109.85846   -35.64477
   63    61 S   CM   _C9_    56     1.35268   123.32000  -115.97500
   64    63 S   HC   _H12    57     1.09416   113.91359   175.14946
   65    61 S   CT   _C22    73     1.54178   116.32604    57.60521
   66    65 S   OM   _O39    74     1.32437   107.01181    79.54969
   67    65 S   HC   _H21    75     1.10211   106.34037   -48.23905
   68    65 S   HC   _H22    76     1.10290   106.67731  -153.59299
   69    63 S   CT   _C8_    58     1.52215   136.24961    -4.59738
   70    69 S   HC   _H3_    59     1.09768   106.69270   112.47527
   71    69 S   OS   _O34    62     1.46240   103.06164  -131.85198
   72    71 S   CO4  _C7_    63     1.35839   119.11241  -104.97902
   73    72 S   O    _O33    64     1.22179   126.51740    -4.15336
   74    72 S   CM   _C5_    65     1.48708   109.00990   175.75956
   75    74 S   CM   _C6_    66     1.34075   117.26859   156.68258
   76    75 S   HC   _H10    67     1.08538   120.92099   179.08785
   77    75 S   HC   _H11    68     1.08538   122.28299    -1.21321
   78    74 S   CT   _C4_    69     1.49736   119.61284   -25.15175
   79    78 S   HC   _H7_    70     1.09477   110.17336   -54.03825
   80    78 S   HC   _H8_    71     1.09426   111.08783    66.33834
   81    78 S   HC   _H9_    72     1.09524   111.82984  -173.48494
  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  13   7   8   3   9  14   7  15   6   5
   9   4  11  10   5   6   3   2   1   6   3   9  10   2   9   4
   4   2   1   1   5   2   5   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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    69    70    49    50    71  
   41    42    43    44    69    49    50  
   42    43    44    45    46    69    49    50  
   43    44    49  
   44    45    46    47    48    51    69    49    50  
   45    46    47    48    51    52    63    69    70    49    50    71    62    54  
   46    47    48    51    69    49    50  
   47    48    51    52    53    58    60    69    49    50    62    54    55    56    57  
   48    51    52    49    62    54  
   51    52    49    62    54  
   50    71    72    51    61    63    64    69    70  
   71    63    69    70  
   52    53    58    59    60    61    62    54    55    56    57  
   53    58    59    60    61    62    54    55    56    57  
   58    59    60    62    54  
   55    56    57    58    60    62  
   56    57    62  
   57    62  
   62  
   59    60    61    63    65    62  
   60    61    62  
   61    63    64    69    65    66    67    68    62  
   63    64    69    70    71    65    66    67    68    62  
   63    65  
   64    69    70    71    72    65    66    67    68  
   69    70    71    65  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72  
   72    73    74    75    78  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   67   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   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    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   317.000  1.522
   51    62   320.000  1.410
   51    54   268.000  1.529
   52    53   570.000  1.229
   52    58   320.000  1.462
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   380.000  1.444
   60    62   440.000  1.360
   61    63   549.000  1.340
   61    65   317.000  1.510
   63    64   340.000  1.080
   63    69   317.000  1.510
   69    70   340.000  1.090
   69    49   268.000  1.529
   69    71   320.000  1.410
   49    50   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   65    66   570.000  1.307
   65    67   340.000  1.090
   65    68   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    49    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    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    69    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    69    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    63.00000  111.10000
   46    51    62    50.00000  109.50000
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    53    80.00000  120.40000
   51    52    58    65.00000  118.62400
   51    62    60    90.00000  111.18400
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    40.00000  117.72500
   52    58    60    65.00000  118.96000
   58    52    53    80.00000  123.72100
   58    60    61    70.00000  123.01800
   58    60    62    80.00000  120.01400
   60    58    59    35.00000  120.00000
   60    61    63    70.00000  123.01800
   60    61    65    70.00000  124.00000
   61    63    64    35.00000  120.00000
   61    63    69    70.00000  124.00000
   61    65    66    85.00000  110.90400
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    49    70.00000  112.02700
   63    69    71    85.00000  110.90400
   69    63    64    35.00000  117.00000
   69    49    50    37.50000  110.70000
   69    71    72    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    69    70    37.50000  110.70000
   71    69    70    35.00000  109.50000
   71    69    49    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   65    61    63    70.00000  124.00000
   67    65    66    45.00000  125.66300
   68    65    66    45.00000  125.66300
   68    65    67    33.00000  107.80000
   62    51    52    90.00000  108.74100
   62    60    61    80.00000  120.01400
   54    51    52    63.00000  111.10000
   54    51    62    50.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    69   0.56750  1.0 1.0
   33    39    49    69  -0.07550 -1.0 2.0
   33    39    49    69   0.20000  1.0 3.0
   33    39    49    50   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    49   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    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    69   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    69  -0.95700  1.0 1.0
   41    39    49    69  -0.18200 -1.0 2.0
   41    39    49    69   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    69   0.62750  1.0 1.0
   43    44    49    69  -0.30950 -1.0 2.0
   43    44    49    69   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52  -0.95700  1.0 1.0
   44    46    51    52  -0.18200 -1.0 2.0
   44    46    51    52   0.29450  1.0 3.0
   44    46    51    62   0.62750  1.0 1.0
   44    46    51    62  -0.30950 -1.0 2.0
   44    46    51    62   0.27300  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    69   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    69   0.56750  1.0 1.0
   46    44    49    69  -0.07550 -1.0 2.0
   46    44    49    69   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.30150 -1.0 2.0
   46    51    52    58   0.65300  1.0 1.0
   46    51    52    58  -0.03850 -1.0 2.0
   46    51    52    58   0.33900  1.0 3.0
   46    51    62    60  -0.46850  1.0 1.0
   46    51    62    60   0.09300 -1.0 2.0
   46    51    62    60  -0.12850  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    52  -0.11250  1.0 3.0
   47    46    51    62   0.23400  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52  -0.11250  1.0 3.0
   48    46    51    62   0.23400  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    52    58    59   0.04550  1.0 1.0
   51    52    58    59   0.83000 -1.0 2.0
   51    52    58    59  -0.04000  1.0 3.0
   51    52   -58    60  -0.33500  1.0 1.0
   51    52   -58    60   1.06600 -1.0 2.0
   51    52   -58    60  -0.14000  1.0 3.0
   52    51   -62    60  -0.48150  1.0 1.0
   52    51   -62    60   0.09250 -1.0 2.0
   52    51   -62    60  -0.12850  1.0 3.0
   52    51    54    55  -0.11250  1.0 3.0
   52    51    54    56  -0.11250  1.0 3.0
   52    51    54    57  -0.11250  1.0 3.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58   -60    62   7.00000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   1.00000 -1.0 2.0
   58    60    61    63   0.28850  1.0 1.0
   58    60    61    63   2.61350 -1.0 2.0
   58    60    61    63   0.78400  1.0 3.0
   58    60    61    65  -0.18600  1.0 3.0
   58    60   -62    51  -2.26850  1.0 1.0
   58    60   -62    51   3.39050 -1.0 2.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    61    63    64   7.00000 -1.0 2.0
   60    61    63    69   7.00000 -1.0 2.0
   60    61    65    66   0.39000  1.0 1.0
   60    61    65    66  -0.05800 -1.0 2.0
   60    61    65    66  -0.55150  1.0 3.0
   60    61    65    67   0.00000  1.0 1.0
   60    61    65    68   0.00000  1.0 1.0
   61    60    62    51  -2.26850  1.0 1.0
   61    60    62    51   3.39050 -1.0 2.0
   61    63    69    70   0.00000  1.0 1.0
   61    63    69    49   0.09850  1.0 1.0
   61    63    69    49   0.15250 -1.0 2.0
   61    63    69    49  -0.50650  1.0 3.0
   61    63    69    71   0.39000  1.0 1.0
   61    63    69    71  -0.05800 -1.0 2.0
   61    63    69    71  -0.55150  1.0 3.0
   63    61    65    66   0.39000  1.0 1.0
   63    61    65    66  -0.05800 -1.0 2.0
   63    61    65    66  -0.55150  1.0 3.0
   63    61    65    67   0.00000  1.0 1.0
   63    61    65    68   0.00000  1.0 1.0
   63    69    49    39   0.34400  1.0 1.0
   63    69    49    39   0.09450 -1.0 2.0
   63    69    49    39   0.11100  1.0 3.0
   63    69    49    44   0.34400  1.0 1.0
   63    69    49    44   0.09450 -1.0 2.0
   63    69    49    44   0.11100  1.0 3.0
   63    69    49    50   0.15000  1.0 3.0
   63    69    71    72  -0.82050  1.0 1.0
   63    69    71    72   0.00600 -1.0 2.0
   63    69    71    72   0.04400  1.0 3.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    49   0.00000  1.0 1.0
   64    63    69    71   0.00000  1.0 1.0
   69    71    72    73   3.00000 -1.0 2.0
   69    71    72    74   2.00000 -1.0 2.0
   70    69    49    39   0.15000  1.0 3.0
   70    69    49    44   0.15000  1.0 3.0
   70    69    49    50   0.15000  1.0 3.0
   70    69    71    72   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   49    69    71    72  -0.25900  1.0 1.0
   49    69    71    72  -0.47000 -1.0 2.0
   49    69    71    72   0.11750  1.0 3.0
   71    69    49    39   0.62750  1.0 1.0
   71    69    49    39  -0.30950 -1.0 2.0
   71    69    49    39   0.27300  1.0 3.0
   71    69    49    44   0.62750  1.0 1.0
   71    69    49    44  -0.30950 -1.0 2.0
   71    69    49    44   0.27300  1.0 3.0
   71    69    49    50   0.23400  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    78  -0.15000  1.0 1.0
   71    72    74    78   0.89550 -1.0 2.0
   71    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   65    61    63    64   7.00000 -1.0 2.0
   65    61    63    69   7.00000 -1.0 2.0
   62    51    52    53   0.30150 -1.0 2.0
   62    51   -52    58   0.65300  1.0 1.0
   62    51   -52    58  -0.03850 -1.0 2.0
   62    51   -52    58   0.33900  1.0 3.0
   62    51    54    55   0.23400  1.0 3.0
   62    51    54    56   0.23400  1.0 3.0
   62    51    54    57   0.23400  1.0 3.0
   62    60    61    63  -0.51250  1.0 1.0
   62    60    61    63   1.23350 -1.0 2.0
   62    60    61    65   1.08500 -1.0 2.0
   54    51    52    53   0.30150 -1.0 2.0
   54    51    52    58   0.65300  1.0 1.0
   54    51    52    58  -0.03850 -1.0 2.0
   54    51    52    58   0.33900  1.0 3.0
   54    51    62    60  -0.46850  1.0 1.0
   54    51    62    60   0.09300 -1.0 2.0
   54    51    62    60  -0.12850  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   51    58    52    53  10.50000 -1.0 2.0
   52    59    58    60   1.10000 -1.0 2.0
   61    62    60    58   1.10000 -1.0 2.0
   60    65    61    63   1.10000 -1.0 2.0
   69    64    63    61   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
