* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    244     455
    1     0 S   NP   _N1_     1    28.53399    95.95357   -21.35468
    2     1 S   H    _HN1     2     1.02777    90.42464   -67.98227
    3     1 S   H    _H1_     3     1.02960    77.45336    40.71376
    4     1 S   H    _H2_     4     1.02835    41.79629   175.08366
    5     1 S   CT   _CA1     5     1.50123   150.68620   150.11322
    6     5 S   HC   _HA1     6     1.09576   105.21960    76.61871
    7     5 S   CO3  _C1_     7     1.53773   112.41264   -43.55533
    8     7 S   O2Z  _O11     8     1.26356   114.99984   -43.33898
    9     7 S   O2Z  _O12     9     1.26240   114.91743   135.82942
   10     5 S   CT   _CB1    10     1.53099   107.42887  -165.49700
   11    10 S   HC   HB11    11     1.09825   109.27490   -51.04504
   12    10 S   HC   HB12    12     1.09818   110.43358    65.48670
   13    10 S   CT   _CG1    13     1.53017   112.70230  -172.16356
   14    13 S   HC   HG11    14     1.09595   110.44556   -64.74930
   15    13 S   HC   HG12    15     1.09657   109.96160    54.46784
   16    13 S   C    _CD1    16     1.51828   112.34159   174.77850
   17    16 S   O    _OE1    17     1.22724   123.26184    -1.26393
   18    16 S   N    _N2_    18     1.38637   111.65527   179.00240
   19    18 S   H    _HN2    19     1.01587   118.99164     1.19058
   20    18 S   CT1  _CA2    20     1.46089   123.36644   179.05126
   21    20 S   HC   _HA2    21     1.09760   109.40989    -5.84664
   22    20 S   C    _C2_    22     1.53333   108.20135  -121.00859
   23    22 S   O    _O2_    23     1.23001   122.45087  -140.66823
   24    20 S   CT   _CB2    32     1.53348   111.75204   116.18599
   25    24 S   HC   HB21    33     1.09555   110.70315    52.80496
   26    24 S   HC   HB22    34     1.09303   109.18739   171.96100
   27    22 S   N    _N3_    24     1.38539   113.21174    46.72163
   28    27 S   H    _HN3    25     1.01494   119.07416    -0.59970
   29    24 S   S    _SG2    35     1.82761   111.24000   -68.39525
   30    27 S   CT   _CA3    26     1.45390   122.97891   174.13151
   31    30 S   HC   HA31    27     1.09553   108.69437    33.87448
   32    30 S   HC   HA32    28     1.09474   107.22019   150.90701
   33    29 S   CT   _C17    36     1.82696   100.57106  -178.32054
   34    33 S   HC   _H3_    37     1.09546   110.38613   -58.74120
   35    30 S   CO3  _C3_    29     1.53019   113.73564   -89.03476
   36    35 S   O2Z  _O31    30     1.26354   115.83689   -32.47524
   37    35 S   O2Z  _O32    31     1.26416   114.65674   148.33257
   38    33 S   CO4  _C16    38     1.50026   107.25876  -175.84527
   39    38 S   O    _O35    39     1.22331   124.23377    90.24746
   40    38 S   CO4  _C15    40     1.50643   117.04349   -86.64064
   41    40 S   O    _O36    41     1.22285   118.45806   167.19663
   42    40 S   CM   _C14    42     1.48739   118.79247   -12.49714
   43    42 S   CM   _C13    43     1.34412   121.21116    -8.81942
   44    42 S   OS1  _O37    64     1.38622   116.67832   173.33885
   45    33 S   CO4  _C18    44     1.50565   110.21853    61.51533
   46    45 S   O    _O34    45     1.23011   121.59964   -96.81886
   47    43 S   CO4  _C12    46     1.49072   118.30442  -177.37826
   48    47 S   O    _O33    47     1.22448   122.23425    56.92258
   49    44 S   CO1  _C19    65     1.44299   110.80940   -81.41739
   50    49 S   HC   _H4_    66     1.09893   109.15231    54.32152
   51    47 S   CM   _C11    48     1.48856   114.08642  -121.76648
   52    51 S   HC   _H14    49     1.08390   117.70490     2.32591
   53    49 S   CT   _C20    67     1.53305   107.55485   173.37635
   54    53 S   HC   _H5_    68     1.09676   109.99619    53.00986
   55    51 S   CM   _C10    50     1.33995   120.33502   179.31930
   56    55 S   HC   _H13    51     1.08748   120.27599     0.72172
   57    53 S   CT   _C21    69     1.53193   111.03936   174.88527
   58    57 S   HC   _H6_    70     1.09668   110.20336    73.48862
   59    53 S   OH5  _O42    85     1.42878   109.97645   -63.78465
   60    59 S   HO   _H20    86     0.97248   108.31862   -59.97389
   61    55 S   CA   _C9_    52     1.47303   123.94671  -176.98111
   62    57 S   CT   _C22    71     1.53289   111.46882   -49.20725
   63    62 S   HC   _H7_    72     1.09709   108.96478   -71.51535
   64    57 S   OH5  _O41    83     1.42937   109.60334  -170.67939
   65    64 S   HO   _H19    84     0.97242   108.17171    60.75564
   66    61 S   CA   _C4_    53     1.40394   122.95612   -29.05397
   67    66 S   HA   _H9_    54     1.08724   121.24510     0.13270
   68    62 S   CT   _C23    73     1.53204   110.78626    49.67275
   69    68 S   HC   _H8_    74     1.09817   111.08928    64.78707
   70    62 S   OH5  _O40    81     1.42564   109.77753   171.67539
   71    70 S   HO   _H18    82     0.97255   108.24710   -57.74954
   72    66 S   CA   _C5_    55     1.39715   120.66485  -179.37945
   73    72 S   HA   _H10    56     1.08672   119.80636  -179.71333
   74    49 S   OS1  _O38    75     1.42989   110.81988   -66.86205
   75    68 S   CT   _C24    76     1.53057   111.61737  -174.19964
   76    75 S   HC   _H15    77     1.09495   110.99612    67.26911
   77    75 S   HC   _H16    78     1.09398   111.45776   -55.01813
   78    72 S   CA   _C6_    57     1.39065   119.70667     0.54680
   79    75 S   OH5  _O39    79     1.42526   109.11561  -174.13836
   80    79 S   HO   _H17    80     0.97306   107.00700  -179.53354
   81    78 S   CA   _C7_    58     1.39145   120.65016     0.17132
   82    81 S   HA   _H11    59     1.08596   120.99108   179.71196
   83    78 S   OH   _O43    62     1.36577   118.28937   179.89721
   84    83 S   HO   _H21    63     0.97201   108.66739   179.44503
   85    61 S   CA   _C8_    60     1.40390   118.41720   152.76913
   86    85 S   HA   _H12    61     1.08815   120.56027    -1.05814
  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   8   5   4   3
  10   6   2   1   1   8   4   7   3  11   9  10   4   1   6   3
  13   6   6   3  12   7   8   3  13   7   4   1   9  12   7   3
   1   8   4   9   6   3   1   7   3   4   4   3   2   6   1   1
   5   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47  
   38    39    40    43    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    45    46    44  
   40    41    42    45  
   41    42    43    45    47    44    49  
   42    43    44  
   43    45    46    47    48    51    44    49    50    53    74  
   45    46    47    48    51    52    55    44    49  
   49    50    53    54    57    68    74    59    45    47  
   46    47    48    51  
   47  
   48    51    52    55    56    61  
   51    52    55  
   50    53    54    57    58    62    68    69    74    75    64    59    60  
   53    54    57    68    74    59  
   52    55    56    61    66    85  
   55    56    61  
   54    57    58    62    63    68    74    70    64    65    59    60  
   57    58    62    74    64    59    60  
   56    61    66    67    72    81    85    86  
   61    66    85  
   58    62    63    68    69    74    75    70    71    64    65    59    60  
   62    63    68    70    64    65    59  
   60    62    64    74  
    0  
   66    67    72    73    78    81    82    85    86  
   63    68    69    74    75    76    77    79    70    71    64    65  
   68    69    74    75    70    71    64  
   65    68    70  
    0  
   67    72    73    78    81    85    86    83  
   72    73    78    85  
   69    74    75    76    77    79    80    70    71  
   74    75    76    77    79    70  
   71    74    75  
    0  
   73    78    81    82    85    83    84  
   78    81    83  
   75    76    77    79  
   76    77    79    80  
   77    79    80  
   79    80  
   81    82    85    86    83    84  
   80  
    0  
   82    85    86    83    84  
   85    86    83  
   84    85  
    0  
   86  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    45   317.000  1.522
   38    39   570.000  1.229
   38    40   250.000  1.523
   40    41   570.000  1.229
   40    42   320.000  1.462
   42    43   549.000  1.340
   42    44   440.000  1.360
   43    45   320.000  1.462
   43    47   320.000  1.462
   45    46   570.000  1.229
   47    48   570.000  1.229
   47    51   320.000  1.462
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    61   320.000  1.460
   61    66   469.000  1.400
   61    85   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    81   469.000  1.400
   78    83   450.000  1.364
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    86   367.000  1.080
   83    84   553.000  0.945
   44    49   370.000  1.399
   49    50   360.000  1.097
   49    53   255.000  1.525
   49    74   370.000  1.399
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    59   355.000  1.421
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    64   355.000  1.421
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   355.000  1.421
   68    69   340.000  1.090
   68    74   335.000  1.422
   68    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   355.000  1.421
   79    80   580.000  0.967
   70    71   580.000  0.967
   64    65   580.000  0.967
   59    60   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    45    75.00000  110.18000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.45000
   33    45    43    65.00000  118.62400
   33    45    46    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    80.00000  119.30300
   38    40    42    65.00000  116.00000
   40    38    39    80.00000  119.30300
   40    42    43    65.00000  118.96000
   40    42    44    85.00000  116.28000
   42    40    41    80.00000  123.72100
   42    43    45    65.00000  118.96000
   42    43    47    65.00000  118.96000
   42    44    49    90.00000  111.18400
   43    45    46    80.00000  123.72100
   43    47    48    80.00000  123.72100
   43    47    51    65.00000  118.65900
   45    33    34    35.00000  109.50000
   45    33    38    75.00000  107.99600
   47    43    45    65.00000  115.30000
   47    51    52    40.00000  117.72500
   47    51    55    65.00000  118.96000
   51    47    48    80.00000  123.72100
   51    55    56    35.00000  120.00000
   51    55    61    60.00000  123.20500
   55    51    52    35.00000  120.00000
   55    61    66    60.00000  120.93500
   55    61    85    60.00000  120.93500
   61    55    56    40.00000  117.26300
   61    66    67    35.00000  120.00000
   61    66    72    63.00000  120.00000
   61    85    81    63.00000  120.00000
   61    85    86    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    78    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    78    81    63.00000  120.00000
   72    78    83    70.00000  120.00000
   78    72    73    35.00000  120.00000
   78    81    82    35.00000  120.00000
   78    81    85    63.00000  120.00000
   78    83    84    35.00000  113.00000
   81    85    86    35.00000  120.00000
   85    61    66    63.00000  120.00000
   85    81    82    35.00000  120.00000
   83    78    81    70.00000  120.00000
   44    42    43    80.00000  120.01400
   44    49    50    60.00000  105.75400
   44    49    53    90.00000  109.70700
   44    49    74   110.00000  113.16000
   49    53    54    45.00000  109.54000
   49    53    57    70.00000  111.10000
   49    53    59    90.00000  109.42000
   49    74    68    90.00000  112.10700
   53    49    50    45.00000  111.65000
   53    57    58    37.50000  110.70000
   53    57    62    58.35000  112.70000
   53    57    64    90.00000  111.45300
   53    59    60    65.00000  108.53500
   57    53    54    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    68    58.35000  112.70000
   57    62    70    90.00000  111.45300
   57    64    65    65.00000  108.53500
   62    57    58    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    74    95.00000  107.88500
   62    68    75    58.35000  112.70000
   62    70    71    65.00000  108.53500
   68    62    63    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    79    90.00000  111.45300
   74    49    50    60.00000  105.75400
   74    49    53    90.00000  109.70700
   74    68    69    55.00000  108.98800
   75    68    69    37.50000  110.70000
   75    68    74    95.00000  107.88500
   75    79    80    65.00000  108.53500
   77    75    76    33.00000  107.80000
   79    75    76    60.00000  109.39000
   79    75    77    60.00000  109.39000
   70    62    63    60.00000  109.39000
   70    62    68    90.00000  111.45300
   64    57    58    60.00000  109.39000
   64    57    62    90.00000  111.45300
   59    53    54    60.00000  109.39000
   59    53    57    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    45    43   0.65300  1.0 1.0
   29    33    45    43  -0.03850 -1.0 2.0
   29    33    45    43   0.33900  1.0 3.0
   29    33    45    46   0.30150 -1.0 2.0
   33    38    40    41   0.49600 -1.0 2.0
   33    38    40    42   0.43900  1.0 1.0
   33    38    40    42  -0.18150 -1.0 2.0
   33    38    40    42  -0.03650  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    43   0.00000  1.0 1.0
   34    33    45    46   0.00000  1.0 1.0
   38    33    45    43   0.65300  1.0 1.0
   38    33    45    43  -0.03850 -1.0 2.0
   38    33    45    43   0.33900  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    43   0.50400  1.0 1.0
   38    40   -42    43   1.60000 -1.0 2.0
   38    40   -42    43  -0.01800  1.0 3.0
   38    40    42    44   1.50000 -1.0 2.0
   39    38    40    41   0.06100 -1.0 2.0
   39    38    40    42   0.03000  1.0 1.0
   39    38    40    42   0.58800 -1.0 2.0
   39    38    40    42   0.15550  1.0 3.0
   40    42    43    45   7.00000 -1.0 2.0
   40    42    43    47   7.00000 -1.0 2.0
   40    42    44    49   0.15100 -1.0 2.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    44  -0.11900  1.0 1.0
   41    40    42    44   0.76850 -1.0 2.0
   41    40    42    44   0.14100  1.0 3.0
   42    43   -45    33  -0.33500  1.0 1.0
   42    43   -45    33   1.06600 -1.0 2.0
   42    43   -45    33  -0.14000  1.0 3.0
   42    43    45    46   1.00000 -1.0 2.0
   42    43    47    48   1.00000 -1.0 2.0
   42    43    47    51  -1.18350  1.0 1.0
   42    43    47    51   1.45950 -1.0 2.0
   42    44    49    50   0.08050  1.0 3.0
   42    44    49    53  -0.46850  1.0 1.0
   42    44    49    53   0.09300 -1.0 2.0
   42    44    49    53  -0.12850  1.0 3.0
   42    44    49    74  -0.48150  1.0 1.0
   42    44    49    74   0.09250 -1.0 2.0
   42    44    49    74  -0.12850  1.0 3.0
   43    42    44    49  -2.26850  1.0 1.0
   43    42    44    49   3.39050 -1.0 2.0
   43    47    51    52   0.93700 -1.0 2.0
   43    47    51    55  -1.18350  1.0 1.0
   43    47    51    55   1.45950 -1.0 2.0
   45    33    38    39   0.30150 -1.0 2.0
   45    33   -38    40   0.65300  1.0 1.0
   45    33   -38    40  -0.03850 -1.0 2.0
   45    33   -38    40   0.33900  1.0 3.0
   45    43    47    48   2.50000 -1.0 2.0
   45    43    47    51   1.50000 -1.0 2.0
   47    43    45    33   1.50000 -1.0 2.0
   47    43    45    46   2.50000 -1.0 2.0
   47    51    55    56   7.00000 -1.0 2.0
   47    51    55    61   7.00000 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   1.00000 -1.0 2.0
   51    55    61    66   0.15800  1.0 1.0
   51    55    61    66   1.85350 -1.0 2.0
   51    55    61    66  -0.48700  1.0 3.0
   51    55    61    85   0.15800  1.0 1.0
   51    55    61    85   1.85350 -1.0 2.0
   51    55    61    85  -0.48700  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    61   7.00000 -1.0 2.0
   55    61    66    67   3.62500 -1.0 2.0
   55    61    66    72   3.62500 -1.0 2.0
   55    61    85    81   3.62500 -1.0 2.0
   55    61    85    86   3.62500 -1.0 2.0
   56    55    61    66   0.56550  1.0 3.0
   56    55    61    85   0.56550  1.0 3.0
   61    66    72    73   3.62500 -1.0 2.0
   61    66    72    78   3.62500 -1.0 2.0
   66    61    85    81   3.62500 -1.0 2.0
   66    61    85    86   3.62500 -1.0 2.0
   66    72   -78    81   3.62500 -1.0 2.0
   66    72    78    83   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    78   3.62500 -1.0 2.0
   72    78    81    82   3.62500 -1.0 2.0
   72    78    81    85   3.62500 -1.0 2.0
   72    78    83    84   0.84100 -1.0 2.0
   73    72    78    81   3.62500 -1.0 2.0
   73    72    78    83   3.62500 -1.0 2.0
   78    81   -85    61   3.62500 -1.0 2.0
   78    81    85    86   3.62500 -1.0 2.0
   81    78    83    84   0.84100 -1.0 2.0
   82    81    85    61   3.62500 -1.0 2.0
   82    81    85    86   3.62500 -1.0 2.0
   85    61    66    67   3.62500 -1.0 2.0
   85    61   -66    72   3.62500 -1.0 2.0
   83    78    81    82   3.62500 -1.0 2.0
   83    78    81    85   3.62500 -1.0 2.0
   44    42    43    45   7.00000 -1.0 2.0
   44    42    43    47   7.00000 -1.0 2.0
   44    49    53    54   0.23400  1.0 3.0
   44    49    53    57   0.62750  1.0 1.0
   44    49    53    57  -0.30950 -1.0 2.0
   44    49    53    57   0.27300  1.0 3.0
   44    49    53    59   1.51850  1.0 1.0
   44    49    74    68  -0.70400  1.0 1.0
   44    49    74    68  -0.90350 -1.0 2.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    62   0.56750  1.0 1.0
   49    53    57    62  -0.07550 -1.0 2.0
   49    53    57    62   0.20000  1.0 3.0
   49    53    57    64  -0.47750  1.0 1.0
   49    53    59    60   0.29150  1.0 1.0
   49    53    59    60  -0.28350 -1.0 2.0
   49    53    59    60   0.43600  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   50    49    53    59   0.23400  1.0 3.0
   50    49    74    68   0.37050  1.0 3.0
   53    49    74    68   0.06250  1.0 1.0
   53    49    74    68  -0.01100 -1.0 2.0
   53    49    74    68   0.28050  1.0 3.0
   53    57    62    63   0.15000  1.0 3.0
   53    57   -62    68   0.56750  1.0 1.0
   53    57   -62    68  -0.07550 -1.0 2.0
   53    57   -62    68   0.20000  1.0 3.0
   53    57    62    70  -0.47750  1.0 1.0
   53    57    64    65   0.29150  1.0 1.0
   53    57    64    65  -0.28350 -1.0 2.0
   53    57    64    65   0.43600  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    62   0.15000  1.0 3.0
   54    53    57    64   0.23400  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   57    53    59    60   0.29150  1.0 1.0
   57    53    59    60  -0.28350 -1.0 2.0
   57    53    59    60   0.43600  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    74   0.62750  1.0 1.0
   57    62    68    74  -0.30950 -1.0 2.0
   57    62    68    74   0.27300  1.0 3.0
   57    62    68    75   0.56750  1.0 1.0
   57    62    68    75  -0.07550 -1.0 2.0
   57    62    68    75   0.20000  1.0 3.0
   57    62    70    71   0.29150  1.0 1.0
   57    62    70    71  -0.28350 -1.0 2.0
   57    62    70    71   0.43600  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   58    57    62    70   0.23400  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   62    57    64    65   0.29150  1.0 1.0
   62    57    64    65  -0.28350 -1.0 2.0
   62    57    64    65   0.43600  1.0 3.0
   62    68   -74    49   0.06250  1.0 1.0
   62    68   -74    49  -0.01100 -1.0 2.0
   62    68   -74    49   0.28050  1.0 3.0
   62    68    75    76   0.15000  1.0 3.0
   62    68    75    77   0.15000  1.0 3.0
   62    68    75    79  -0.47750  1.0 1.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    74   0.23400  1.0 3.0
   63    62    68    75   0.15000  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71   0.29150  1.0 1.0
   68    62    70    71  -0.28350 -1.0 2.0
   68    62    70    71   0.43600  1.0 3.0
   68    75    79    80   0.29150  1.0 1.0
   68    75    79    80  -0.28350 -1.0 2.0
   68    75    79    80   0.43600  1.0 3.0
   69    68    74    49   0.37050  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    79   0.23400  1.0 3.0
   74    49    53    54   0.23400  1.0 3.0
   74    49   -53    57   0.62750  1.0 1.0
   74    49   -53    57  -0.30950 -1.0 2.0
   74    49   -53    57   0.27300  1.0 3.0
   74    49    53    59   1.51850  1.0 1.0
   74    68    75    76   0.23400  1.0 3.0
   74    68    75    77   0.23400  1.0 3.0
   74    68    75    79   1.51850  1.0 1.0
   75    68    74    49   0.06250  1.0 1.0
   75    68    74    49  -0.01100 -1.0 2.0
   75    68    74    49   0.28050  1.0 3.0
   76    75    79    80   0.19450  1.0 3.0
   77    75    79    80   0.19450  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    74   1.51850  1.0 1.0
   70    62    68    75  -0.47750  1.0 1.0
   64    57    62    63   0.23400  1.0 3.0
   64    57    62    68  -0.47750  1.0 1.0
   64    57    62    70   3.77950  1.0 1.0
   59    53    57    58   0.23400  1.0 3.0
   59    53    57    62  -0.47750  1.0 1.0
   59    53    57    64   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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   40    44    42    43   1.10000 -1.0 2.0
   45    47    43    42   1.10000 -1.0 2.0
   33    43    45    46  10.50000 -1.0 2.0
   43    51    47    48  10.50000 -1.0 2.0
   47    52    51    55  15.00000 -1.0 2.0
   61    56    55    51  15.00000 -1.0 2.0
   66    85    61    55   4.00000 -1.0 2.0
   72    67    66    61   1.10000 -1.0 2.0
   78    73    72    66   1.10000 -1.0 2.0
   81    83    78    72   4.00000 -1.0 2.0
   85    82    81    78   1.10000 -1.0 2.0
   81    86    85    61   1.10000 -1.0 2.0
END
