* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    154    230     452
    1     0 S   NP   _N1_     1    29.13388    94.75339   -24.42238
    2     1 S   H    _HN1     2     1.02785   110.57054   -99.67098
    3     1 S   H    _H1_     3     1.02947    81.69259     6.91072
    4     1 S   H    _H2_     4     1.02831    26.33488   171.43565
    5     1 S   CT   _CA1     5     1.50103   128.16773   116.41019
    6     5 S   HC   _HA1     6     1.09572   105.20596    82.09003
    7     5 S   CO3  _C1_     7     1.53789   112.42466   -38.17484
    8     7 S   O2Z  _O11     8     1.26373   115.00135   -43.52944
    9     7 S   O2Z  _O12     9     1.26234   114.94541   135.62380
   10     5 S   CT   _CB1    10     1.53090   107.44781  -159.91555
   11    10 S   HC   HB11    11     1.09832   109.40627   -49.70818
   12    10 S   HC   HB12    12     1.09814   110.45615    66.91608
   13    10 S   CT   _CG1    13     1.52996   112.56187  -170.67178
   14    13 S   HC   HG11    14     1.09584   110.62199   -65.10170
   15    13 S   HC   HG12    15     1.09669   109.79235    54.12065
   16    13 S   C    _CD1    16     1.51794   112.24277   174.60653
   17    16 S   O    _OE1    17     1.22733   123.25283     6.73872
   18    16 S   N    _N2_    18     1.38660   111.64632  -173.49193
   19    18 S   H    _HN2    19     1.01588   118.99132     1.35176
   20    18 S   CT1  _CA2    20     1.46110   123.37859   177.89690
   21    20 S   HC   _HA2    21     1.09572   109.26500    -0.78684
   22    20 S   C    _C2_    22     1.53516   108.79931  -115.81171
   23    22 S   O    _O2_    23     1.23056   122.22325  -149.60302
   24    20 S   CT   _CB2    32     1.53322   111.67662   121.69145
   25    24 S   HC   HB21    33     1.09651   109.66130    60.94316
   26    24 S   HC   HB22    34     1.09562   111.05071   178.44430
   27    22 S   N    _N3_    24     1.38321   113.69041    37.97000
   28    27 S   H    _HN3    25     1.01600   119.54399    -3.62742
   29    24 S   S    _SG2    35     1.82842   114.24622   -58.79838
   30    27 S   CT   _CA3    26     1.45282   123.20928   176.96662
   31    30 S   HC   HA31    27     1.09550   107.53379   -63.93774
   32    30 S   HC   HA32    28     1.09557   107.95703    52.49301
   33    29 S   CT   _C20    36     1.82815    99.74026   -69.49751
   34    33 S   HC   _H25    37     1.09534   108.57473   -54.95026
   35    33 S   HC   _H26    38     1.09014   107.32595    62.13150
   36    30 S   CO3  _C3_    29     1.52956   114.08287   174.47487
   37    36 S   O2Z  _O31    30     1.26375   116.06295    -0.56786
   38    36 S   O2Z  _O32    31     1.26427   114.41398   179.49063
   39    33 S   CT   _C19    39     1.53122   111.06252  -176.95760
   40    39 S   HC   _H7_    40     1.09724   111.84295   -40.47137
   41    39 S   CO4  _C18    41     1.51225   112.17985    80.82085
   42    41 S   O    _O36    42     1.22112   126.39666   -42.74058
   43    41 S   OS   _O35    43     1.36461   110.01571   138.46921
   44    43 S   CT   _C8_    44     1.43741   110.69451     2.23843
   45    44 S   HC   _H6_    45     1.09486   106.51425  -139.23695
   46    44 S   CT   _C9_    46     1.52715   108.75023   102.53607
   47    46 S   HC   _H11    47     1.09996   106.06479    44.71834
   48    46 S   HC   _H12    48     1.09768   111.03992   -68.16433
   49    39 S   CT   _C7_    55     1.53974   112.98657  -165.21228
   50    49 S   HC   _H5_    56     1.10012   107.34174   -35.25295
   51    46 S   CM   _C10    49     1.51883   117.22048   165.47153
   52    51 S   CM   _C11    50     1.35845   126.30407    31.91805
   53    51 S   CT   _C17    79     1.51680   110.69781  -148.61825
   54    53 S   HC   _H22    80     1.09620   109.88593   -47.21949
   55    53 S   HC   _H23    81     1.09139   114.43180  -166.23613
   56    53 S   HC   _H24    82     1.09503   109.97444    71.93606
   57    52 S   CT   _C5_    51     1.53382   125.94562     5.62378
   58    57 S   HC   _H3_    52     1.10036   105.98552   141.34880
   59    52 S   CT   _C12    63     1.52869   121.52781  -176.80426
   60    59 S   HC   _H13    64     1.09648   109.85868   147.81605
   61    59 S   HC   _H14    65     1.09621   110.80748    33.42319
   62    57 S   CT   _C6_    53     1.54606   115.56598    26.26997
   63    62 S   HC   _H4_    54     1.09750   109.17919    45.63045
   64    57 S   CT   _C4_    59     1.53775   112.04083  -104.70811
   65    64 S   HC   _H8_    60     1.09308   112.38468    58.22160
   66    64 S   HC   _H9_    61     1.09496   111.27120   -61.77563
   67    64 S   HC   _H10    62     1.09519   111.02810   179.30733
   68    59 S   CT   _C13    66     1.53053   112.31862   -90.55151
   69    68 S   HC   _H15    67     1.09720   110.69158   -59.60892
   70    68 S   HC   _H16    68     1.09717   110.80996    57.09106
   71    62 S   OH   _O37    57     1.43130   108.40038   160.67618
   72    71 S   HO   _H27    58     0.97259   107.85511   -65.62934
   73    68 S   CT   _C14    69     1.52471   111.44308   178.82164
   74    73 S   HC   _H17    70     1.09609   110.29970    60.53998
   75    73 S   HC   _H18    71     1.09611   110.27789   -60.62548
   76    73 S   OS   _O33    72     1.43640   108.13298   179.96574
   77    76 S   CO4  _C15    73     1.36293   115.38952   179.85873
   78    77 S   O    _O34    74     1.22338   126.24606     0.03956
   79    77 S   CT   _C16    75     1.49842   109.60691  -179.96044
   80    79 S   HC   _H19    76     1.09290   109.83783   -60.95093
   81    79 S   HC   _H20    77     1.09381   109.35687  -179.98022
   82    79 S   HC   _H21    78     1.09290   109.83612    60.97015
  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  13   7  13   5   4
  10   4  13  20   5   2   1   1  13   8  11   5   4   7   3   4
   2   1   1   7   5   4   1   1   6   3   2   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    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    62    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    57    62    63    49    50    71  
   41    42    43    44    62    49    50  
   42    43    44    45    46    62    49    50  
   43    44    49  
   44    45    46    47    48    51    62    49    50  
   45    46    47    48    51    52    57    62    63    49    50    71    53  
   46    47    48    51    62    49    50  
   47    48    51    52    57    62    49    50    59    53    54    55    56  
   48    51    52    49    53  
   51    52    49    53  
   50    71    72    64    51    52    57    58    62    63  
   71    57    62    63  
   52    57    58    62    64    59    60    61    68    53    54    55    56  
   57    58    62    63    71    64    65    66    67    59    60    61    68    69    70    73    53    54    55    56  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    62    63    71    72    64    65    66    67    59    60    61    68  
   62    63    71    64    65    66    67    59  
   60    61    68    69    70    73    74    75    76    62    64  
   61    68    69    70    73  
   68    69    70    73  
   63    71    72    64    65    66    67  
   71    72    64  
   65    66    67    71  
   66    67  
   67  
    0  
   69    70    73    74    75    76    77  
   70    73    74    75    76  
   73    74    75    76  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77  
   77    78    79    80    81    82  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   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    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   317.000  1.510
   51    52   549.000  1.340
   51    53   317.000  1.510
   52    57   317.000  1.510
   52    59   317.000  1.510
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    64   268.000  1.529
   62    63   340.000  1.090
   62    49   268.000  1.529
   62    71   320.000  1.410
   49    50   340.000  1.090
   71    72   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   320.000  1.410
   76    77   214.000  1.327
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    62    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    70.00000  112.02700
   44    49    62    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  124.00000
   46    51    53    65.00000  117.92700
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    57    70.00000  124.00000
   51    52    59    70.00000  124.00000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    62    70.00000  112.02700
   52    57    64    70.00000  112.02700
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    68    70.00000  112.02700
   57    62    63    37.50000  110.70000
   57    62    49    58.35000  112.70000
   57    62    71    50.00000  109.50000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   62    57    58    37.50000  110.70000
   62    49    50    37.50000  110.70000
   62    71    72    55.00000  108.50000
   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    62    63    37.50000  110.70000
   71    62    63    35.00000  109.50000
   71    62    49    50.00000  109.50000
   64    57    58    37.50000  110.70000
   64    57    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   59    52    57    65.00000  117.92700
   59    68    69    37.50000  110.70000
   59    68    70    37.50000  110.70000
   59    68    73    58.35000  112.70000
   61    59    60    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    61    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    50.00000  109.50000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    76    77    83.00000  116.90000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    83.00000  123.40000
   76    77    79    81.00000  111.40000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    35.00000  109.50000
   79    77    78    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   53    51    52    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    62   0.56750  1.0 1.0
   33    39    49    62  -0.07550 -1.0 2.0
   33    39    49    62   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    62   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    62  -0.95700  1.0 1.0
   41    39    49    62  -0.18200 -1.0 2.0
   41    39    49    62   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   0.61850  1.0 1.0
   43    44    46    51  -0.22750 -1.0 2.0
   43    44    46    51   0.15300  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    62   0.62750  1.0 1.0
   43    44    49    62  -0.30950 -1.0 2.0
   43    44    49    62   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.09850  1.0 1.0
   44    46    51    52   0.15250 -1.0 2.0
   44    46    51    52  -0.50650  1.0 3.0
   44    46    51    53   0.46850  1.0 1.0
   44    46    51    53   0.08550 -1.0 2.0
   44    46    51    53   0.09800  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    62   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    62   0.56750  1.0 1.0
   46    44    49    62  -0.07550 -1.0 2.0
   46    44    49    62   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    57   7.00000 -1.0 2.0
   46    51    52    59   7.00000 -1.0 2.0
   46    51    53    54   0.34800  1.0 3.0
   46    51    53    55   0.34800  1.0 3.0
   46    51    53    56   0.34800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.34800  1.0 3.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    53   0.34800  1.0 3.0
   51    52    57    58   0.00000  1.0 1.0
   51    52    57    62   0.09850  1.0 1.0
   51    52    57    62   0.15250 -1.0 2.0
   51    52    57    62  -0.50650  1.0 3.0
   51    52    57    64   0.09850  1.0 1.0
   51    52    57    64   0.15250 -1.0 2.0
   51    52    57    64  -0.50650  1.0 3.0
   51    52    59    60   0.00000  1.0 1.0
   51    52    59    61   0.00000  1.0 1.0
   51    52    59    68   0.09850  1.0 1.0
   51    52    59    68   0.15250 -1.0 2.0
   51    52    59    68  -0.50650  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.00000  1.0 1.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    49   0.34400  1.0 1.0
   52    57    62    49   0.09450 -1.0 2.0
   52    57    62    49   0.11100  1.0 3.0
   52    57    62    71   1.05650  1.0 1.0
   52    57    62    71   0.15600 -1.0 2.0
   52    57    62    71   0.53150  1.0 3.0
   52    57    64    65   0.15000  1.0 3.0
   52    57    64    66   0.15000  1.0 3.0
   52    57    64    67   0.15000  1.0 3.0
   52    59    68    69   0.15000  1.0 3.0
   52    59    68    70   0.15000  1.0 3.0
   52    59    68    73   0.34400  1.0 1.0
   52    59    68    73   0.09450 -1.0 2.0
   52    59    68    73   0.11100  1.0 3.0
   57    52    59    60   0.34800  1.0 3.0
   57    52    59    61   0.34800  1.0 3.0
   57    52    59    68   0.46850  1.0 1.0
   57    52    59    68   0.08550 -1.0 2.0
   57    52    59    68   0.09800  1.0 3.0
   57    62    49    39   0.56750  1.0 1.0
   57    62    49    39  -0.07550 -1.0 2.0
   57    62    49    39   0.20000  1.0 3.0
   57    62    49    44   0.56750  1.0 1.0
   57    62    49    44  -0.07550 -1.0 2.0
   57    62    49    44   0.20000  1.0 3.0
   57    62    49    50   0.15000  1.0 3.0
   57    62    71    72  -0.11600  1.0 1.0
   57    62    71    72  -0.09450 -1.0 2.0
   57    62    71    72   0.21250  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    49   0.15000  1.0 3.0
   58    57    62    71   0.23400  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   62    57    64    65   0.15000  1.0 3.0
   62    57    64    66   0.15000  1.0 3.0
   62    57    64    67   0.15000  1.0 3.0
   63    62    49    39   0.15000  1.0 3.0
   63    62    49    44   0.15000  1.0 3.0
   63    62    49    50   0.15000  1.0 3.0
   63    62    71    72   0.19450  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   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   49    62    71    72  -0.11600  1.0 1.0
   49    62    71    72  -0.09450 -1.0 2.0
   49    62    71    72   0.21250  1.0 3.0
   71    62    49    39   0.86500  1.0 1.0
   71    62    49    39  -0.17500 -1.0 2.0
   71    62    49    39   0.20800  1.0 3.0
   71    62    49    44   0.86500  1.0 1.0
   71    62    49    44  -0.17500 -1.0 2.0
   71    62    49    44   0.20800  1.0 3.0
   71    62    49    50   0.23400  1.0 3.0
   64    57    62    63   0.15000  1.0 3.0
   64    57    62    49   0.56750  1.0 1.0
   64    57    62    49  -0.07550 -1.0 2.0
   64    57    62    49   0.20000  1.0 3.0
   64    57    62    71   0.86500  1.0 1.0
   64    57    62    71  -0.17500 -1.0 2.0
   64    57    62    71   0.20800  1.0 3.0
   59    52    57    58   0.34800  1.0 3.0
   59    52    57    62   0.46850  1.0 1.0
   59    52    57    62   0.08550 -1.0 2.0
   59    52    57    62   0.09800  1.0 3.0
   59    52    57    64   0.46850  1.0 1.0
   59    52    57    64   0.08550 -1.0 2.0
   59    52    57    64   0.09800  1.0 3.0
   59    68    73    74   0.15000  1.0 3.0
   59    68    73    75   0.15000  1.0 3.0
   59    68    73    76   0.62750  1.0 1.0
   59    68    73    76  -0.30950 -1.0 2.0
   59    68    73    76   0.27300  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   60    59    68    73   0.15000  1.0 3.0
   61    59    68    69   0.15000  1.0 3.0
   61    59    68    70   0.15000  1.0 3.0
   61    59    68    73   0.15000  1.0 3.0
   68    73    76    77  -0.25900  1.0 1.0
   68    73    76    77  -0.47000 -1.0 2.0
   68    73    76    77   0.11750  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.23400  1.0 3.0
   73    76    77    78   3.00000 -1.0 2.0
   73    76    77    79   1.63150  1.0 1.0
   73    76    77    79   2.92000 -1.0 2.0
   74    73    76    77   0.08050  1.0 3.0
   75    73    76    77   0.08050  1.0 3.0
   76    77    79    80   0.00000  1.0 1.0
   76    77    79    81   0.00000  1.0 1.0
   76    77    79    82   0.00000  1.0 1.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.00000  1.0 1.0
   53    51    52    57   7.00000 -1.0 2.0
   53    51    52    59   7.00000 -1.0 2.0
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
   46    53    51    52   1.10000 -1.0 2.0
   57    59    52    51   1.10000 -1.0 2.0
   76    79    77    78  10.50000 -1.0 2.0
END
