* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    160    246     479
    1     0 S   NP   _N1_     1    28.70941    94.57342   -24.34892
    2     1 S   H    _HN1     2     1.02951    84.88328    12.37580
    3     1 S   H    _H1_     3     1.02828    23.89339   170.82099
    4     1 S   H    _H2_     4     1.02784   107.90032   -95.28451
    5     1 S   CT   _CA1     5     1.50110   128.75177   124.51866
    6     5 S   HC   _HA1     6     1.09573   105.20893    77.47786
    7     5 S   CO3  _C1_     7     1.53794   112.44744   -42.77504
    8     7 S   O2Z  _O11     8     1.26372   115.00839   -42.82735
    9     7 S   O2Z  _O12     9     1.26240   114.94758   136.33028
   10     5 S   CT   _CB1    10     1.53082   107.42353  -164.53335
   11    10 S   HC   HB11    11     1.09831   109.39303   -49.78433
   12    10 S   HC   HB12    12     1.09814   110.43442    66.82586
   13    10 S   CT   _CG1    13     1.52984   112.59974  -170.77371
   14    13 S   HC   HG11    14     1.09586   110.59830   -64.92939
   15    13 S   HC   HG12    15     1.09668   109.82411    54.30232
   16    13 S   C    _CD1    16     1.51796   112.26625   174.75559
   17    16 S   O    _OE1    17     1.22725   123.29717     5.05086
   18    16 S   N    _N2_    18     1.38647   111.63183  -175.01300
   19    18 S   H    _HN2    19     1.01577   118.92948     1.99880
   20    18 S   CT1  _CA2    20     1.46217   123.41950   178.18124
   21    20 S   HC   _HA2    21     1.09736   109.40690     2.16718
   22    20 S   C    _C2_    22     1.53541   108.53272  -113.37011
   23    22 S   O    _O2_    23     1.23058   122.29815  -147.19721
   24    20 S   CT   _CB2    32     1.53498   111.51369   124.23315
   25    24 S   HC   HB21    33     1.09374   109.49331    56.83538
   26    24 S   HC   HB22    34     1.09438   109.62958   175.74973
   27    22 S   N    _N3_    24     1.38340   113.68110    40.18659
   28    27 S   H    _HN3    25     1.01590   119.57815    -3.26741
   29    24 S   S    _SG2    35     1.82877   111.09921   -64.85533
   30    27 S   CT   _CA3    26     1.45288   123.19188   177.15126
   31    30 S   HC   HA31    27     1.09549   107.50213   -64.68686
   32    30 S   HC   HA32    28     1.09557   107.98854    51.74571
   33    29 S   CT   _C11    36     1.86495   102.66636   170.51805
   34    30 S   CO3  _C3_    29     1.52956   114.09716   173.74502
   35    34 S   O2Z  _O31    30     1.26374   116.06717    -0.81036
   36    34 S   O2Z  _O32    31     1.26429   114.41093   179.25401
   37    33 S   CT   _C8_    37     1.57663   109.97872   173.43039
   38    37 S   HC   _H4_    38     1.10005   106.86985  -179.84174
   39    33 S   CT   _C12    56     1.54708   107.93505   -67.78697
   40    39 S   HC   _H19    57     1.09519   112.11962    72.39327
   41    39 S   HC   _H20    58     1.09652   110.81307  -168.84832
   42    39 S   HC   _H21    59     1.09540   112.52897   -48.58586
   43    33 S   CT   _C13    60     1.55360   110.78968    50.27107
   44    43 S   HC   _H22    61     1.09602   110.69732   -66.13142
   45    43 S   HC   _H23    62     1.09422   111.78218    53.95977
   46    37 S   CO4  _C9_    39     1.53694   115.35037   -63.88386
   47    46 S   O    _O33    40     1.22850   124.18809     3.02375
   48    43 S   OS1  _O34    63     1.43171   109.66440   175.34621
   49    46 S   CT   _C10    41     1.51492   115.55554  -174.53148
   50    49 S   HC   _H17    42     1.09626   107.60817    65.35219
   51    49 S   HC   _H18    43     1.09565   109.27788  -178.37442
   52    48 S   CO1  _C14    64     1.42951   112.79555  -179.00830
   53    52 S   HC   _H5_    65     1.09678   109.15392   -48.62558
   54    49 S   CT   _C5_    44     1.52827   110.83618   -55.84068
   55    54 S   HC   _H3_    45     1.09773   107.97586   169.55886
   56    52 S   CT   _C15    66     1.53320   108.76727  -166.96145
   57    56 S   HC   _H6_    67     1.09614   111.06633    52.10665
   58    54 S   CT   _C6_    46     1.53450   110.72858    51.70716
   59    58 S   HC   _H13    47     1.09661   110.07498  -176.05315
   60    58 S   HC   _H14    48     1.09782   108.83941    67.68628
   61    54 S   CT   _C4_    52     1.53163   111.32339   -73.37531
   62    61 S   HC   _H10    53     1.09434   112.31910    60.00559
   63    61 S   HC   _H11    54     1.09538   110.46704   -60.18747
   64    61 S   HC   _H12    55     1.09513   110.65033  -179.26299
   65    56 S   CT   _C16    68     1.53121   110.50444   -69.32171
   66    65 S   HC   _H7_    69     1.09706   110.08946    68.48308
   67    56 S   OH5  _O39    84     1.42959   109.33853   170.42000
   68    67 S   HO   _H29    85     0.97242   107.75189   -60.13902
   69    37 S   CT   _C7_    49     1.54504   115.08452    62.03409
   70    69 S   HC   _H15    50     1.09491   110.45044    56.56403
   71    69 S   HC   _H16    51     1.09518   110.97712   -61.78547
   72    65 S   CT   _C17    70     1.53109   110.79867   -52.80166
   73    72 S   HC   _H8_    71     1.09670   109.38996   -70.10514
   74    65 S   OH5  _O38    82     1.42716   110.43984  -174.07871
   75    74 S   HO   _H28    83     0.97212   107.69793   -52.66698
   76    72 S   CT   _C18    72     1.53466   110.47054    51.72235
   77    76 S   HC   _H9_    73     1.09693   110.44156    66.66772
   78    72 S   OH5  _O37    80     1.42804   109.71281   172.94726
   79    78 S   HO   _H27    81     0.97233   108.11143   -57.03360
   80    52 S   OS1  _O35    74     1.43299   113.38706    70.07499
   81    76 S   CT   _C19    75     1.53057   111.17958  -173.55914
   82    81 S   HC   _H24    76     1.09501   110.93508    70.07394
   83    81 S   HC   _H25    77     1.09402   111.53412   -52.21520
   84    81 S   OH5  _O36    78     1.42444   109.18932  -171.24038
   85    84 S   HO   _H26    79     0.97218   107.09594  -178.97779
  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  13   5   4   3
  18   2   1   1  21   9   9   3   2   1   9   3   2  11   5   8
  12   5   4  13   6  11   8  12   7   9   5   4   4   2   1   1
  13   7   4   1   2   1   1  12   7   3   1   9   6   3   1   4
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    69    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    49    58    69    70    71    39    40    41    42    43    44    45    48    52  
   35    36  
   36  
    0  
   38    46    47    49    50    51    54    58    59    60    69    70    71    39    40    41    42    43    44    45    48  
   46    47    49    58    69    70    71    39    43  
   40    41    42    43    44    45    48    46    69  
   41    42    43  
   42    43  
   43  
   44    45    48    52    53    56    80    46    69  
   45    48    52  
   48    52  
   47    49    50    51    54    55    58    69    70    71    61  
   49    50    51    54    69  
   52    53    56    57    65    76    80    67  
   50    51    54    55    58    59    60    69    61    62    63    64  
   51    54    55    58    61  
   54    55    58    61  
   53    56    57    65    66    72    76    77    80    81    74    67    68  
   56    57    65    76    80    67  
   55    58    59    60    69    70    71    61    62    63    64  
   58    59    60    69    61    62    63    64  
   57    65    66    72    73    76    80    78    74    75    67    68  
   65    66    72    80    74    67    68  
   59    60    69    70    71    61    62    63    64  
   60    69    70    71    61  
   69    70    71    61  
   62    63    64    69  
   63    64  
   64  
    0  
   66    72    73    76    77    80    81    78    79    74    75    67    68  
   72    73    76    78    74    75    67  
   68    72    74    80  
    0  
   70    71  
   71  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   317.000  1.522
   37    69   268.000  1.529
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   335.000  1.422
   48    52   370.000  1.399
   52    53   360.000  1.097
   52    56   255.000  1.525
   52    80   370.000  1.399
   56    57   340.000  1.090
   56    65   268.000  1.529
   56    67   355.000  1.421
   65    66   340.000  1.090
   65    72   268.000  1.529
   65    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   67    68   580.000  0.967
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    63.00000  111.10000
   33    37    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    95.00000  107.88500
   37    46    47    80.00000  120.40000
   37    46    49    70.00000  116.00000
   37    69    58    58.35000  112.70000
   37    69    70    37.50000  110.70000
   37    69    71    37.50000  110.70000
   46    37    38    35.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    54    63.00000  111.10000
   49    46    47    80.00000  120.40000
   49    54    55    37.50000  110.70000
   49    54    58    58.35000  112.70000
   49    54    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    69    58.35000  112.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   58    54    55    37.50000  110.70000
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   60    58    59    33.00000  107.80000
   69    37    38    37.50000  110.70000
   69    37    46    63.00000  111.10000
   69    58    59    37.50000  110.70000
   69    58    60    37.50000  110.70000
   71    69    70    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    48    52    90.00000  112.10700
   45    43    44    33.00000  107.80000
   48    43    44    55.00000  108.98800
   48    43    45    55.00000  108.98800
   48    52    53    60.00000  105.75400
   48    52    56    90.00000  109.70700
   48    52    80   110.00000  113.16000
   52    56    57    45.00000  109.54000
   52    56    65    70.00000  111.10000
   52    56    67    90.00000  109.42000
   52    80    76    90.00000  112.10700
   56    52    53    45.00000  111.65000
   56    65    66    37.50000  110.70000
   56    65    72    58.35000  112.70000
   56    65    74    90.00000  111.45300
   56    67    68    65.00000  108.53500
   65    56    57    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    76    58.35000  112.70000
   65    72    78    90.00000  111.45300
   65    74    75    65.00000  108.53500
   72    65    66    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    52    53    60.00000  105.75400
   80    52    56    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    65    66    60.00000  109.39000
   74    65    72    90.00000  111.45300
   67    56    57    60.00000  109.39000
   67    56    65    90.00000  111.45300
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    37    69   0.44750  1.0 1.0
   29    33    37    69  -0.17800 -1.0 2.0
   29    33    37    69   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    49   0.60050  1.0 1.0
   33    37    46    49   0.05600 -1.0 2.0
   33    37    46    49   0.26150  1.0 3.0
   33    37    69    58   0.56750  1.0 1.0
   33    37    69    58  -0.07550 -1.0 2.0
   33    37    69    58   0.20000  1.0 3.0
   33    37    69    70   0.15000  1.0 3.0
   33    37    69    71   0.15000  1.0 3.0
   33    43    48    52   0.06250  1.0 1.0
   33    43    48    52  -0.01100 -1.0 2.0
   33    43    48    52   0.28050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48   0.62750  1.0 1.0
   37    33    43    48  -0.30950 -1.0 2.0
   37    33    43    48   0.27300  1.0 3.0
   37    46    49    50   0.00000  1.0 1.0
   37    46    49    51   0.00000  1.0 1.0
   37    46    49    54   0.60050  1.0 1.0
   37    46    49    54   0.05600 -1.0 2.0
   37    46    49    54   0.26150  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    49   0.00000  1.0 1.0
   38    37    69    58   0.15000  1.0 3.0
   38    37    69    70   0.15000  1.0 3.0
   38    37    69    71   0.15000  1.0 3.0
   46    37    69    58  -0.95700  1.0 1.0
   46    37    69    58  -0.18200 -1.0 2.0
   46    37    69    58   0.29450  1.0 3.0
   46    37    69    70  -0.11250  1.0 3.0
   46    37    69    71  -0.11250  1.0 3.0
   46    49    54    55  -0.11250  1.0 3.0
   46    49   -54    58  -0.95700  1.0 1.0
   46    49   -54    58  -0.18200 -1.0 2.0
   46    49   -54    58   0.29450  1.0 3.0
   46    49    54    61  -0.95700  1.0 1.0
   46    49    54    61  -0.18200 -1.0 2.0
   46    49    54    61   0.29450  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    54   0.30150 -1.0 2.0
   49    54    58    59   0.15000  1.0 3.0
   49    54    58    60   0.15000  1.0 3.0
   49    54    58    69   0.56750  1.0 1.0
   49    54    58    69  -0.07550 -1.0 2.0
   49    54    58    69   0.20000  1.0 3.0
   49    54    61    62   0.15000  1.0 3.0
   49    54    61    63   0.15000  1.0 3.0
   49    54    61    64   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    58   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    58   0.15000  1.0 3.0
   51    49    54    61   0.15000  1.0 3.0
   54    58   -69    37   0.56750  1.0 1.0
   54    58   -69    37  -0.07550 -1.0 2.0
   54    58   -69    37   0.20000  1.0 3.0
   54    58    69    70   0.15000  1.0 3.0
   54    58    69    71   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    69   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   58    54    61    62   0.15000  1.0 3.0
   58    54    61    63   0.15000  1.0 3.0
   58    54    61    64   0.15000  1.0 3.0
   59    58    69    37   0.15000  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   60    58    69    37   0.15000  1.0 3.0
   60    58    69    70   0.15000  1.0 3.0
   60    58    69    71   0.15000  1.0 3.0
   69    37    46    47   0.30150 -1.0 2.0
   69    37   -46    49   0.60050  1.0 1.0
   69    37   -46    49   0.05600 -1.0 2.0
   69    37   -46    49   0.26150  1.0 3.0
   61    54    58    59   0.15000  1.0 3.0
   61    54    58    60   0.15000  1.0 3.0
   61    54    58    69   0.56750  1.0 1.0
   61    54    58    69  -0.07550 -1.0 2.0
   61    54    58    69   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    37    69   0.56750  1.0 1.0
   39    33    37    69  -0.07550 -1.0 2.0
   39    33    37    69   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48   0.62750  1.0 1.0
   39    33    43    48  -0.30950 -1.0 2.0
   39    33    43    48   0.27300  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46  -0.95700  1.0 1.0
   43    33    37    46  -0.18200 -1.0 2.0
   43    33    37    46   0.29450  1.0 3.0
   43    33    37    69   0.56750  1.0 1.0
   43    33    37    69  -0.07550 -1.0 2.0
   43    33    37    69   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   0.37050  1.0 3.0
   43    48    52    56   0.06250  1.0 1.0
   43    48    52    56  -0.01100 -1.0 2.0
   43    48    52    56   0.28050  1.0 3.0
   43    48    52    80  -0.12700  1.0 1.0
   43    48    52    80  -1.16200 -1.0 2.0
   43    48    52    80   0.58800  1.0 3.0
   44    43    48    52   0.37050  1.0 3.0
   45    43    48    52   0.37050  1.0 3.0
   48    52    56    57   0.23400  1.0 3.0
   48    52    56    65   0.62750  1.0 1.0
   48    52    56    65  -0.30950 -1.0 2.0
   48    52    56    65   0.27300  1.0 3.0
   48    52    56    67   1.51850  1.0 1.0
   48    52    80    76  -0.70400  1.0 1.0
   48    52    80    76  -0.90350 -1.0 2.0
   52    56    65    66   0.15000  1.0 3.0
   52    56    65    72   0.56750  1.0 1.0
   52    56    65    72  -0.07550 -1.0 2.0
   52    56    65    72   0.20000  1.0 3.0
   52    56    65    74  -0.47750  1.0 1.0
   52    56    67    68   0.29150  1.0 1.0
   52    56    67    68  -0.28350 -1.0 2.0
   52    56    67    68   0.43600  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    65   0.15000  1.0 3.0
   53    52    56    67   0.23400  1.0 3.0
   53    52    80    76   0.37050  1.0 3.0
   56    52    80    76   0.06250  1.0 1.0
   56    52    80    76  -0.01100 -1.0 2.0
   56    52    80    76   0.28050  1.0 3.0
   56    65    72    73   0.15000  1.0 3.0
   56    65   -72    76   0.56750  1.0 1.0
   56    65   -72    76  -0.07550 -1.0 2.0
   56    65   -72    76   0.20000  1.0 3.0
   56    65    72    78  -0.47750  1.0 1.0
   56    65    74    75   0.29150  1.0 1.0
   56    65    74    75  -0.28350 -1.0 2.0
   56    65    74    75   0.43600  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    72   0.15000  1.0 3.0
   57    56    65    74   0.23400  1.0 3.0
   57    56    67    68   0.19450  1.0 3.0
   65    56    67    68   0.29150  1.0 1.0
   65    56    67    68  -0.28350 -1.0 2.0
   65    56    67    68   0.43600  1.0 3.0
   65    72    76    77   0.15000  1.0 3.0
   65    72    76    80   0.62750  1.0 1.0
   65    72    76    80  -0.30950 -1.0 2.0
   65    72    76    80   0.27300  1.0 3.0
   65    72    76    81   0.56750  1.0 1.0
   65    72    76    81  -0.07550 -1.0 2.0
   65    72    76    81   0.20000  1.0 3.0
   65    72    78    79   0.29150  1.0 1.0
   65    72    78    79  -0.28350 -1.0 2.0
   65    72    78    79   0.43600  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    76   0.15000  1.0 3.0
   66    65    72    78   0.23400  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   72    65    74    75   0.29150  1.0 1.0
   72    65    74    75  -0.28350 -1.0 2.0
   72    65    74    75   0.43600  1.0 3.0
   72    76   -80    52   0.06250  1.0 1.0
   72    76   -80    52  -0.01100 -1.0 2.0
   72    76   -80    52   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    52   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    52    56    57   0.23400  1.0 3.0
   80    52   -56    65   0.62750  1.0 1.0
   80    52   -56    65  -0.30950 -1.0 2.0
   80    52   -56    65   0.27300  1.0 3.0
   80    52    56    67   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    52   0.06250  1.0 1.0
   81    76    80    52  -0.01100 -1.0 2.0
   81    76    80    52   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    65    72    73   0.23400  1.0 3.0
   74    65    72    76  -0.47750  1.0 1.0
   74    65    72    78   3.77950  1.0 1.0
   67    56    65    66   0.23400  1.0 3.0
   67    56    65    72  -0.47750  1.0 1.0
   67    56    65    74   3.77950  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    46    47  10.50000 -1.0 2.0
END
