* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    233     442
    1     0 S   NP   _N1_     1    28.98858    94.43187   -24.84954
    2     1 S   H    _HN1     2     1.02784   114.38077   -88.47135
    3     1 S   H    _H1_     3     1.02953    80.97092    17.67915
    4     1 S   H    _H2_     4     1.02832    26.30250  -169.48034
    5     1 S   CT   _CA1     5     1.50113   124.84473   126.32314
    6     5 S   HC   _HA1     6     1.09573   105.21074    84.44886
    7     5 S   CO3  _C1_     7     1.53794   112.41738   -35.80582
    8     7 S   O2Z  _O11     8     1.26374   114.99800   -43.21837
    9     7 S   O2Z  _O12     9     1.26238   114.94649   135.92214
   10     5 S   CT   _CB1    10     1.53089   107.43235  -157.56263
   11    10 S   HC   HB11    11     1.09832   109.39590   -49.76602
   12    10 S   HC   HB12    12     1.09818   110.44027    66.84357
   13    10 S   CT   _CG1    13     1.52995   112.59864  -170.75486
   14    13 S   HC   HG11    14     1.09587   110.58771   -64.84544
   15    13 S   HC   HG12    15     1.09667   109.83938    54.39088
   16    13 S   C    _CD1    16     1.51792   112.25391   174.84953
   17    16 S   O    _OE1    17     1.22740   123.28026     5.14022
   18    16 S   N    _N2_    18     1.38645   111.65889  -175.09555
   19    18 S   H    _HN2    19     1.01591   119.02491     1.12152
   20    18 S   CT1  _CA2    20     1.46101   123.32771   178.34886
   21    20 S   HC   _HA2    21     1.09578   109.28321    -4.11599
   22    20 S   C    _C2_    22     1.53467   108.61261  -119.14660
   23    22 S   O    _O2_    23     1.23034   122.30575  -148.72768
   24    20 S   CT   _CB2    32     1.53287   111.75430   118.31041
   25    24 S   HC   HB21    33     1.09648   109.67934    61.89831
   26    24 S   HC   HB22    34     1.09517   110.93936   179.30620
   27    22 S   N    _N3_    24     1.38353   113.57303    38.81153
   28    27 S   H    _HN3    25     1.01615   119.51829    -3.66922
   29    24 S   S    _SG2    35     1.82829   114.37995   -57.85307
   30    27 S   CT   _CA3    26     1.45282   123.17485   176.95194
   31    30 S   HC   HA31    27     1.09551   107.54537   -63.55842
   32    30 S   HC   HA32    28     1.09557   107.93650    52.86328
   33    29 S   CT   _C21    36     1.82726    99.88254   -68.11908
   34    33 S   HC   _H3_    37     1.09400   108.80768    62.48820
   35    33 S   HC   _H4_    38     1.09498   107.89532   -54.12405
   36    30 S   CO3  _C3_    29     1.52948   114.09909   174.83624
   37    36 S   O2Z  _O31    30     1.26374   116.05956    -0.49496
   38    36 S   O2Z  _O32    31     1.26429   114.41729   179.55854
   39    33 S   CT   _C22    39     1.53705   113.62385  -176.25508
   40    39 S   HC   _H47    40     1.09886   107.89208   178.57962
   41    39 S   CO4  _C12    41     1.52205   112.02217    62.15267
   42    41 S   O    _O22    42     1.22353   124.93384  -118.04333
   43    39 S   CT   _C20    78     1.53020   112.88472   -64.23068
   44    43 S   HC   _H42    79     1.09481   112.29036    67.52919
   45    43 S   HC   _H43    80     1.09592   110.38461  -173.17346
   46    43 S   HC   _H44    81     1.09501   110.87577   -53.78856
   47    41 S   OS   _O25    43     1.36525   109.46060    62.93893
   48    47 S   CT   _C16    44     1.45494   117.87322  -178.84140
   49    48 S   HC   _H35    45     1.09790   109.33951    29.19625
   50    48 S   CT   _C13    46     1.55075   106.08421   -87.97478
   51    50 S   HC   _H31    47     1.09891   107.62937   -49.98553
   52    50 S   HC   _H32    48     1.09907   108.86642    60.55028
   53    48 S   CT   _C15    60     1.55909   107.37276   145.69167
   54    53 S   HC   _H34    61     1.09518   108.83833  -167.66826
   55    50 S   CT   _C17    49     1.54208   118.19310  -174.99375
   56    53 S   CM   _C8_    62     1.49414   113.17068   -49.29295
   57    55 S   CO4  _C9_    50     1.51455   110.63792   149.53096
   58    57 S   O    _O20    51     1.22050   126.28526    84.15551
   59    56 S   CO4  _C10    63     1.47016   110.26143   115.75714
   60    59 S   O    _O21    64     1.21770   126.88381  -175.68498
   61    56 S   CM   _C11    66     1.33641   127.93275   -65.06047
   62    61 S   HC   _H29    67     1.08494   120.83877     0.46939
   63    61 S   HC   _H30    68     1.08520   121.79839  -179.64392
   64    55 S   CT   _C19    74     1.51730   113.64743   -81.93413
   65    64 S   HC   _H39    75     1.09531   110.88735    61.88895
   66    64 S   HC   _H40    76     1.09475   111.55117   -59.44897
   67    64 S   HC   _H41    77     1.09616   110.95074  -179.73312
   68    57 S   CM   _C4_    52     1.46509   110.04988   -91.99521
   69    68 S   HC   _H27    53     1.07336   127.40200   159.84288
   70    80 S   OS   _O24    65     1.44567   107.94617   169.20298
   71    68 S   CM   _C7_    54     1.33011   100.36060   -10.32053
   72    71 S   CM   _C6_    55     1.44257   128.17358   165.47912
   73    55 S   OS   _O23    73     1.43239   110.08639    40.80760
   74    72 S   CM   _C5_    56     1.35164   120.87370  -113.67514
   75    74 S   HC   _H28    57     1.08896   118.10617  -178.71793
   76    72 S   CT   _C18    69     1.50013   116.59285    67.33929
   77    76 S   HC   _H36    70     1.09528   110.78257   -63.02767
   78    76 S   HC   _H37    71     1.09539   111.90470   177.05270
   79    76 S   HC   _H38    72     1.09547   110.58182    57.29934
   80    74 S   CT   _C14    58     1.52059   126.02420     4.73330
   81    80 S   HC   _H33    59     1.09457   108.21720    55.98453
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  17
   8  16   6   5  14   7  11   9  10   5   8   3   4   1   1   6
   3   2   1   6   3   5   9   9   2   7   3   4   2   1   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    80    53    54    56  
   49    50    51    52    55    57    74    80    81    53    54    56    59    70    61    73    64  
   50    51    52    55    80    53    54    56  
   51    52    55    57    58    68    71    80    53    54    56    73    64    65    66    67  
   52    55    57    53    73    64  
   55    57    53    73    64  
   54    56    59    60    70    61    62    63    55    72    74    75    80    81  
   56    59    70    61    74    80    81  
   57    58    68    69    71    72    73    64    65    66    67  
   59    60    70    61    62    63    74    80    81  
   58    68    69    71    72    73    64    65    66    67  
   68    69    71    73    64  
   60    70    61    62    63    74    80    81  
   70    61    80  
   62    63    70    80  
   63  
    0  
   65    66    67    68    71    73  
   66    67    73  
   67    73  
   73  
   69    71    72    74    76    73  
   71    72    73  
   72    74    75    80    81  
   72    74    75    80    76    77    78    79    73  
   74    75    80    81    76    77    78    79    73  
   74    76  
   75    80    81    76    77    78    79  
   80    81    76  
   77    78    79    80  
   78    79  
   79  
    0  
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    57   317.000  1.522
   55    73   320.000  1.410
   55    64   268.000  1.529
   57    58   570.000  1.229
   57    68   320.000  1.462
   68    69   340.000  1.080
   68    71   549.000  1.340
   71    72   380.000  1.444
   71    73   440.000  1.360
   72    74   549.000  1.340
   72    76   317.000  1.510
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    53   268.000  1.529
   80    70   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    70   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    53    80    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    63.00000  111.10000
   50    55    73    50.00000  109.50000
   50    55    64    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    57    58    80.00000  120.40000
   55    57    68    65.00000  118.62400
   55    73    71    90.00000  111.18400
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   57    68    69    40.00000  117.72500
   57    68    71    65.00000  118.96000
   68    57    58    80.00000  123.72100
   68    71    72    70.00000  123.01800
   68    71    73    80.00000  120.01400
   71    68    69    35.00000  120.00000
   71    72    74    70.00000  123.01800
   71    72    76    70.00000  124.00000
   72    74    75    35.00000  120.00000
   72    74    80    70.00000  124.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    53    70.00000  112.02700
   74    80    70    85.00000  110.90400
   80    74    75    35.00000  117.00000
   80    53    54    37.50000  110.70000
   80    53    56    70.00000  112.02700
   80    70    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    80    81    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    70    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   70    80    81    35.00000  109.50000
   70    80    53    50.00000  109.50000
   70    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   76    72    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   73    55    57    90.00000  108.74100
   73    71    72    80.00000  120.01400
   64    55    57    63.00000  111.10000
   64    55    73    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55   0.62750  1.0 1.0
   47    48    50    55  -0.30950 -1.0 2.0
   47    48    50    55   0.27300  1.0 3.0
   47    48    53    80   0.62750  1.0 1.0
   47    48    53    80  -0.30950 -1.0 2.0
   47    48    53    80   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57  -0.95700  1.0 1.0
   48    50    55    57  -0.18200 -1.0 2.0
   48    50    55    57   0.29450  1.0 3.0
   48    50    55    73   0.62750  1.0 1.0
   48    50    55    73  -0.30950 -1.0 2.0
   48    50    55    73   0.27300  1.0 3.0
   48    50    55    64   0.56750  1.0 1.0
   48    50    55    64  -0.07550 -1.0 2.0
   48    50    55    64   0.20000  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    80   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    80   0.56750  1.0 1.0
   50    48    53    80  -0.07550 -1.0 2.0
   50    48    53    80   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.30150 -1.0 2.0
   50    55    57    68   0.65300  1.0 1.0
   50    55    57    68  -0.03850 -1.0 2.0
   50    55    57    68   0.33900  1.0 3.0
   50    55    73    71  -0.46850  1.0 1.0
   50    55    73    71   0.09300 -1.0 2.0
   50    55    73    71  -0.12850  1.0 3.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    66   0.15000  1.0 3.0
   50    55    64    67   0.15000  1.0 3.0
   51    50    55    57  -0.11250  1.0 3.0
   51    50    55    73   0.23400  1.0 3.0
   51    50    55    64   0.15000  1.0 3.0
   52    50    55    57  -0.11250  1.0 3.0
   52    50    55    73   0.23400  1.0 3.0
   52    50    55    64   0.15000  1.0 3.0
   55    57    68    69   0.04550  1.0 1.0
   55    57    68    69   0.83000 -1.0 2.0
   55    57    68    69  -0.04000  1.0 3.0
   55    57   -68    71  -0.33500  1.0 1.0
   55    57   -68    71   1.06600 -1.0 2.0
   55    57   -68    71  -0.14000  1.0 3.0
   57    55   -73    71  -0.48150  1.0 1.0
   57    55   -73    71   0.09250 -1.0 2.0
   57    55   -73    71  -0.12850  1.0 3.0
   57    55    64    65  -0.11250  1.0 3.0
   57    55    64    66  -0.11250  1.0 3.0
   57    55    64    67  -0.11250  1.0 3.0
   57    68    71    72   7.00000 -1.0 2.0
   57    68   -71    73   7.00000 -1.0 2.0
   58    57    68    69   0.00000  1.0 1.0
   58    57    68    71   1.00000 -1.0 2.0
   68    71    72    74   0.28850  1.0 1.0
   68    71    72    74   2.61350 -1.0 2.0
   68    71    72    74   0.78400  1.0 3.0
   68    71    72    76  -0.18600  1.0 3.0
   68    71   -73    55  -2.26850  1.0 1.0
   68    71   -73    55   3.39050 -1.0 2.0
   69    68    71    72   7.00000 -1.0 2.0
   69    68    71    73   7.00000 -1.0 2.0
   71    72    74    75   7.00000 -1.0 2.0
   71    72    74    80   7.00000 -1.0 2.0
   71    72    76    77   0.00000  1.0 1.0
   71    72    76    78   0.00000  1.0 1.0
   71    72    76    79   0.00000  1.0 1.0
   72    71    73    55  -2.26850  1.0 1.0
   72    71    73    55   3.39050 -1.0 2.0
   72    74    80    81   0.00000  1.0 1.0
   72    74    80    53   0.09850  1.0 1.0
   72    74    80    53   0.15250 -1.0 2.0
   72    74    80    53  -0.50650  1.0 3.0
   72    74    80    70   0.39000  1.0 1.0
   72    74    80    70  -0.05800 -1.0 2.0
   72    74    80    70  -0.55150  1.0 3.0
   74    72    76    77   0.00000  1.0 1.0
   74    72    76    78   0.00000  1.0 1.0
   74    72    76    79   0.00000  1.0 1.0
   74    80    53    48   0.34400  1.0 1.0
   74    80    53    48   0.09450 -1.0 2.0
   74    80    53    48   0.11100  1.0 3.0
   74    80    53    54   0.15000  1.0 3.0
   74    80    53    56   0.31000  1.0 1.0
   74    80    53    56   0.14700 -1.0 2.0
   74    80    53    56   0.07550  1.0 3.0
   74    80    70    59  -0.82050  1.0 1.0
   74    80    70    59   0.00600 -1.0 2.0
   74    80    70    59   0.04400  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    53   0.00000  1.0 1.0
   75    74    80    70   0.00000  1.0 1.0
   80    53   -56    59   0.09700  1.0 1.0
   80    53   -56    59   0.15600 -1.0 2.0
   80    53   -56    59  -0.50800  1.0 3.0
   80    53    56    61   0.09850  1.0 1.0
   80    53    56    61   0.15250 -1.0 2.0
   80    53    56    61  -0.50650  1.0 3.0
   81    80    53    48   0.15000  1.0 3.0
   81    80    53    54   0.15000  1.0 3.0
   81    80    53    56   0.15000  1.0 3.0
   81    80    70    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.56750  1.0 1.0
   53    48    50    55  -0.07550 -1.0 2.0
   53    48    50    55   0.20000  1.0 3.0
   53    80   -70    59  -0.25900  1.0 1.0
   53    80   -70    59  -0.47000 -1.0 2.0
   53    80   -70    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    70  -0.15000  1.0 1.0
   53    56   -59    70   0.89550 -1.0 2.0
   53    56   -59    70  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -70    80   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    70    80   3.00000 -1.0 2.0
   70    80    53    48   0.62750  1.0 1.0
   70    80    53    48  -0.30950 -1.0 2.0
   70    80    53    48   0.27300  1.0 3.0
   70    80    53    54   0.23400  1.0 3.0
   70    80   -53    56   0.61850  1.0 1.0
   70    80   -53    56  -0.22750 -1.0 2.0
   70    80   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    70  -0.56150  1.0 1.0
   61    56    59    70   2.19150 -1.0 2.0
   76    72    74    75   7.00000 -1.0 2.0
   76    72    74    80   7.00000 -1.0 2.0
   73    55    57    58   0.30150 -1.0 2.0
   73    55   -57    68   0.65300  1.0 1.0
   73    55   -57    68  -0.03850 -1.0 2.0
   73    55   -57    68   0.33900  1.0 3.0
   73    55    64    65   0.23400  1.0 3.0
   73    55    64    66   0.23400  1.0 3.0
   73    55    64    67   0.23400  1.0 3.0
   73    71    72    74  -0.51250  1.0 1.0
   73    71    72    74   1.23350 -1.0 2.0
   73    71    72    76   1.08500 -1.0 2.0
   64    55    57    58   0.30150 -1.0 2.0
   64    55    57    68   0.65300  1.0 1.0
   64    55    57    68  -0.03850 -1.0 2.0
   64    55    57    68   0.33900  1.0 3.0
   64    55    73    71  -0.46850  1.0 1.0
   64    55    73    71   0.09300 -1.0 2.0
   64    55    73    71  -0.12850  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   55    68    57    58  10.50000 -1.0 2.0
   57    69    68    71   1.10000 -1.0 2.0
   72    73    71    68   1.10000 -1.0 2.0
   71    76    72    74   1.10000 -1.0 2.0
   80    75    74    72   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    70    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
