* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    237     443
    1     0 S   NP   _N1_     1    28.65801    96.74734   -21.64149
    2     1 S   H    _HN1     2     1.02783    92.60015   -84.84358
    3     1 S   H    _H1_     3     1.02951    74.55560    23.51231
    4     1 S   H    _H2_     4     1.02830    42.99101   161.43321
    5     1 S   CT   _CA1     5     1.50130   150.26019   127.70537
    6     5 S   HC   _HA1     6     1.09566   105.19995    83.10580
    7     5 S   CO3  _C1_     7     1.53812   112.47551   -37.16769
    8     7 S   O2Z  _O11     8     1.26382   114.99668   -40.26146
    9     7 S   O2Z  _O12     9     1.26230   115.00149   138.97314
   10     5 S   CT   _CB1    10     1.53098   107.43223  -158.78609
   11    10 S   HC   HB11    11     1.09825   109.46779   -48.20301
   12    10 S   HC   HB12    12     1.09818   110.40578    68.46133
   13    10 S   CT   _CG1    13     1.52972   112.59859  -169.15959
   14    13 S   HC   HG11    14     1.09501   110.61397   -63.41997
   15    13 S   HC   HG12    15     1.09668   109.85966    55.70945
   16    13 S   C    _CD1    16     1.51793   112.34280   175.98439
   17    16 S   O    _OE1    17     1.22727   123.30919     0.15323
   18    16 S   N    _N2_    18     1.38636   111.58195  -179.43768
   19    18 S   H    _HN2    19     1.01586   118.98489     0.77884
   20    18 S   CT1  _CA2    20     1.46214   123.44123   177.54840
   21    20 S   HC   _HA2    21     1.09751   109.35552    -1.16902
   22    20 S   C    _C2_    22     1.53544   108.53285  -116.48423
   23    22 S   O    _O2_    23     1.23047   122.35241  -148.82109
   24    20 S   CT   _CB2    32     1.53589   111.63845   120.88560
   25    24 S   HC   HB21    33     1.09370   109.27112    55.38285
   26    24 S   HC   HB22    34     1.09257   109.36971   174.22277
   27    22 S   N    _N3_    24     1.38359   113.63587    38.75252
   28    27 S   H    _HN3    25     1.01601   119.53195    -3.61650
   29    24 S   S    _SG2    35     1.82932   110.65519   -65.57419
   30    27 S   CT   _CA3    26     1.45282   123.18039   177.00546
   31    30 S   HC   HA31    27     1.09551   107.52679   -64.02705
   32    30 S   HC   HA32    28     1.09558   107.95762    52.39793
   33    29 S   CT   _C9_    36     1.88014   103.53330  -175.24894
   34    30 S   CO3  _C3_    29     1.52948   114.10548   174.37855
   35    34 S   O2Z  _O31    30     1.26371   116.06595    -0.68614
   36    34 S   O2Z  _O32    31     1.26429   114.41139   179.37193
   37    33 S   CT   _C10    37     1.56808   110.85115    54.02983
   38    37 S   HC   _H12    38     1.09865   109.80720   -71.04390
   39    37 S   HC   _H13    39     1.09972   109.34121   176.40071
   40    33 S   CT   _C8_    61     1.59288   109.51613   174.90572
   41    40 S   HC   _H4_    62     1.10147   104.88571  -169.14041
   42    33 S   CT   _C20    75     1.60507   106.86650   -62.95641
   43    42 S   OM   _O38    76     1.32809   110.22743  -173.65177
   44    42 S   HC   _H21    77     1.10018   106.01089    60.83698
   45    42 S   HC   _H22    78     1.10203   106.36883   -45.35632
   46    37 S   CT   _C11    40     1.52368   118.26666    53.14752
   47    46 S   HC   _H5_    41     1.09742   110.07072   -62.65621
   48    46 S   CT   _C12    42     1.51937   114.44835    64.76450
   49    48 S   HC   _H6_    43     1.09826   111.02998    43.24959
   50    48 S   CM   _C17    44     1.49483    98.42293   154.89397
   51    48 S   CT   _C13    51     1.52661   111.31487   -80.76002
   52    51 S   HC   _H14    52     1.09767   108.91289  -152.60120
   53    51 S   HC   _H15    53     1.09663   109.70990   -37.57643
   54    50 S   CO4  _C19    45     1.48124   107.74720   -28.73663
   55    54 S   O    _O36    46     1.21717   127.26846  -166.76615
   56    50 S   CM   _C18    48     1.33563   130.98131   150.30900
   57    56 S   HC   _H19    49     1.08392   121.55914     1.08336
   58    56 S   HC   _H20    50     1.08551   121.49941  -179.40291
   59    51 S   CT   _C14    54     1.53851   113.28924    87.35872
   60    46 S   OS   _O37    47     1.44213   109.03548  -178.24342
   61    59 S   CM   _C15    55     1.51774   115.32687  -165.15450
   62    59 S   OH   _O35    73     1.44778   106.07170    78.17202
   63    62 S   HO   _H18    74     0.97266   107.94838    65.22621
   64    61 S   CT   _C6_    56     1.50581   110.27918   156.29215
   65    64 S   HC   _H3_    57     1.09710   110.30159   115.96679
   66    61 S   CM   _C16    70     1.34144   126.81676   -21.59361
   67    66 S   HC   _H16    71     1.08379   122.05691    -1.54725
   68    66 S   HC   _H17    72     1.08541   120.82708   178.77603
   69    64 S   CT   _C7_    58     1.52877   104.43528    -3.34726
   70    69 S   HC   _H10    59     1.09919   108.25724    97.55241
   71    69 S   HC   _H11    60     1.09041   112.18670  -145.54092
   72    64 S   OS   _O34    63     1.43581   109.59588  -122.19801
   73    72 S   CO4  _C5_    64     1.36199   116.84553  -163.09142
   74    73 S   O    _O33    65     1.22323   126.40046     0.71079
   75    73 S   CT   _C4_    66     1.49781   109.43117  -178.27410
   76    75 S   HC   _H7_    67     1.09310   109.86183   -51.65758
   77    75 S   HC   _H8_    68     1.09361   109.43377  -170.31771
   78    75 S   HC   _H9_    69     1.09258   109.65081    70.06399
  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
  21   2   1   1  18   7   6  21   9   6   2   1   1  12   6  14
   8  10  12   4   3   5   2   3   1   1  12   1  12   4   1  11
   6   4   1   1   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    59    69    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    60    51    59    61    64    69    70    71    40    41    62    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    50    54    60    51    59    69    40    41    42    43    44    45  
   39    46    47    48    60    40    42  
   46    47    48    60    40    42  
   41    72    66    62    63    42    43    44    45    46    48    51    52    53    59    61    64    65    69    70    71  
   62    42    51    59    61    64    69    70    71  
   43    44    45    46    59    69  
   44    45  
   45  
    0  
   47    48    49    50    54    55    60    56    51    52    53    59  
   48    49    50    54    60    51  
   49    50    54    55    60    56    57    58    51    52    53    59    61    62  
   50    54    60    56    51    52    53    59  
   54    55    60    56    57    58    51    52    53    59  
   52    53    59    61    64    69    66    62    63    54    56    60  
   53    59    61    62  
   59    61    62  
   55    60    56    57    58  
   60    56  
   57    58    60  
   58  
    0  
   61    64    65    69    70    71    72    66    67    68    62    63  
    0  
   64    65    69    70    71    72    73    66    67    68    62    63  
   63    64    66    69  
    0  
   65    69    70    71    72    73    74    75    66    67    68  
   69    70    71    72    73    66  
   67    68    69    72  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   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    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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    60   320.000  1.410
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    51   268.000  1.529
   50    54   320.000  1.462
   50    56   549.000  1.340
   54    55   570.000  1.229
   54    60   214.000  1.327
   56    57   340.000  1.080
   56    58   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   268.000  1.529
   59    61   317.000  1.510
   59    40   268.000  1.529
   59    62   320.000  1.410
   61    64   317.000  1.510
   61    66   549.000  1.340
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    40   268.000  1.529
   40    41   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   553.000  0.945
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    45   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    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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    59    58.35000  112.70000
   33    40    69    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    58.35000  112.70000
   37    46    60    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    70.00000  112.02700
   46    48    51    58.35000  112.70000
   46    60    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    50    54    65.00000  116.34900
   48    50    56    70.00000  124.00000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    59    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    54    55    80.00000  123.72100
   50    54    60    90.00000  111.29400
   50    56    57    35.00000  120.00000
   50    56    58    35.00000  120.00000
   60    46    47    35.00000  109.50000
   60    46    48    50.00000  109.50000
   60    54    55    83.00000  123.40000
   56    50    54    65.00000  118.96000
   58    56    57    35.00000  117.00000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.02700
   51    59    61    70.00000  112.02700
   51    59    40    58.35000  112.70000
   51    59    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    53    37.50000  110.70000
   59    61    64    65.00000  117.92700
   59    61    66    70.00000  124.00000
   59    40    69    58.35000  112.70000
   59    40    41    37.50000  110.70000
   59    62    63    55.00000  108.50000
   61    64    65    35.00000  109.50000
   61    64    69    70.00000  112.02700
   61    64    72    85.00000  110.90400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    40    58.35000  112.70000
   64    72    73    83.00000  116.90000
   69    64    65    37.50000  110.70000
   69    40    41    37.50000  110.70000
   71    69    70    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    59    61    70.00000  112.02700
   40    69    70    37.50000  110.70000
   40    69    71    37.50000  110.70000
   72    64    65    35.00000  109.50000
   72    64    69    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    61    64    70.00000  124.00000
   68    66    67    35.00000  117.00000
   62    59    61    90.00000  110.39200
   62    59    40    50.00000  109.50000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    45.00000  125.66300
   45    42    43    45.00000  125.66300
   45    42    44    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    59   0.44750  1.0 1.0
   29    33    40    59  -0.17800 -1.0 2.0
   29    33    40    59   0.20200  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.56750  1.0 1.0
   33    37    46    48  -0.07550 -1.0 2.0
   33    37    46    48   0.20000  1.0 3.0
   33    37    46    60   0.62750  1.0 1.0
   33    37    46    60  -0.30950 -1.0 2.0
   33    37    46    60   0.27300  1.0 3.0
   37    33    40    59   0.56750  1.0 1.0
   37    33    40    59  -0.07550 -1.0 2.0
   37    33    40    59   0.20000  1.0 3.0
   37    33    40    69   0.56750  1.0 1.0
   37    33    40    69  -0.07550 -1.0 2.0
   37    33    40    69   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.62750  1.0 1.0
   37    33    42    43  -0.30950 -1.0 2.0
   37    33    42    43   0.27300  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.15000  1.0 3.0
   37    46    48    50   0.34400  1.0 1.0
   37    46    48    50   0.09450 -1.0 2.0
   37    46    48    50   0.11100  1.0 3.0
   37    46    48    51   0.56750  1.0 1.0
   37    46    48    51  -0.07550 -1.0 2.0
   37    46    48    51   0.20000  1.0 3.0
   37    46    60    54  -0.25900  1.0 1.0
   37    46    60    54  -0.47000 -1.0 2.0
   37    46    60    54   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    60   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    60   0.23400  1.0 3.0
   46    48   -50    54   0.09700  1.0 1.0
   46    48   -50    54   0.15600 -1.0 2.0
   46    48   -50    54  -0.50800  1.0 3.0
   46    48    50    56   0.09850  1.0 1.0
   46    48    50    56   0.15250 -1.0 2.0
   46    48    50    56  -0.50650  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48    51    59   0.56750  1.0 1.0
   46    48    51    59  -0.07550 -1.0 2.0
   46    48    51    59   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    60    54   0.08050  1.0 3.0
   48    46   -60    54  -0.25900  1.0 1.0
   48    46   -60    54  -0.47000 -1.0 2.0
   48    46   -60    54   0.11750  1.0 3.0
   48    50    54    55  -0.64400  1.0 1.0
   48    50    54    55   0.26850 -1.0 2.0
   48    50   -54    60  -0.15000  1.0 1.0
   48    50   -54    60   0.89550 -1.0 2.0
   48    50   -54    60  -0.06900  1.0 3.0
   48    50    56    57   7.00000 -1.0 2.0
   48    50    56    58   7.00000 -1.0 2.0
   48    51    59    61   0.34400  1.0 1.0
   48    51    59    61   0.09450 -1.0 2.0
   48    51    59    61   0.11100  1.0 3.0
   48    51    59    40   0.56750  1.0 1.0
   48    51    59    40  -0.07550 -1.0 2.0
   48    51    59    40   0.20000  1.0 3.0
   48    51    59    62   0.86500  1.0 1.0
   48    51    59    62  -0.17500 -1.0 2.0
   48    51    59    62   0.20800  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    50    56   0.00000  1.0 1.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    59   0.34400  1.0 1.0
   50    48    51    59   0.09450 -1.0 2.0
   50    48    51    59   0.11100  1.0 3.0
   50    54   -60    46   2.00000 -1.0 2.0
   54    50    56    57   7.00000 -1.0 2.0
   54    50    56    58   7.00000 -1.0 2.0
   55    54    60    46   3.00000 -1.0 2.0
   60    46    48    49   0.23400  1.0 3.0
   60    46   -48    50   0.61850  1.0 1.0
   60    46   -48    50  -0.22750 -1.0 2.0
   60    46   -48    50   0.15300  1.0 3.0
   60    46    48    51   0.62750  1.0 1.0
   60    46    48    51  -0.30950 -1.0 2.0
   60    46    48    51   0.27300  1.0 3.0
   56    50    54    55   1.00000 -1.0 2.0
   56    50    54    60  -0.56150  1.0 1.0
   56    50    54    60   2.19150 -1.0 2.0
   51    48    50    54   0.09700  1.0 1.0
   51    48    50    54   0.15600 -1.0 2.0
   51    48    50    54  -0.50800  1.0 3.0
   51    48    50    56   0.09850  1.0 1.0
   51    48    50    56   0.15250 -1.0 2.0
   51    48    50    56  -0.50650  1.0 3.0
   51    59    61    64   0.46850  1.0 1.0
   51    59    61    64   0.08550 -1.0 2.0
   51    59    61    64   0.09800  1.0 3.0
   51    59    61    66   0.09850  1.0 1.0
   51    59    61    66   0.15250 -1.0 2.0
   51    59    61    66  -0.50650  1.0 3.0
   51    59    40    33   0.56750  1.0 1.0
   51    59    40    33  -0.07550 -1.0 2.0
   51    59    40    33   0.20000  1.0 3.0
   51    59    40    69   0.56750  1.0 1.0
   51    59    40    69  -0.07550 -1.0 2.0
   51    59    40    69   0.20000  1.0 3.0
   51    59    40    41   0.15000  1.0 3.0
   51    59    62    63  -0.11600  1.0 1.0
   51    59    62    63  -0.09450 -1.0 2.0
   51    59    62    63   0.21250  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    40   0.15000  1.0 3.0
   52    51    59    62   0.23400  1.0 3.0
   53    51    59    61   0.15000  1.0 3.0
   53    51    59    40   0.15000  1.0 3.0
   53    51    59    62   0.23400  1.0 3.0
   59    61    64    65   0.34800  1.0 3.0
   59    61   -64    69   0.46850  1.0 1.0
   59    61   -64    69   0.08550 -1.0 2.0
   59    61   -64    69   0.09800  1.0 3.0
   59    61    64    72   0.09700  1.0 1.0
   59    61    64    72   0.15600 -1.0 2.0
   59    61    64    72  -0.50800  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   61    59    40    33   0.34400  1.0 1.0
   61    59    40    33   0.09450 -1.0 2.0
   61    59    40    33   0.11100  1.0 3.0
   61    59   -40    69   0.34400  1.0 1.0
   61    59   -40    69   0.09450 -1.0 2.0
   61    59   -40    69   0.11100  1.0 3.0
   61    59    40    41   0.15000  1.0 3.0
   61    59    62    63  -0.07800  1.0 1.0
   61    59    62    63  -0.21500 -1.0 2.0
   61    59    62    63  -0.03150  1.0 3.0
   61    64    69    70   0.15000  1.0 3.0
   61    64    69    71   0.15000  1.0 3.0
   61    64   -69    40   0.34400  1.0 1.0
   61    64   -69    40   0.09450 -1.0 2.0
   61    64   -69    40   0.11100  1.0 3.0
   61    64    72    73  -0.82050  1.0 1.0
   61    64    72    73   0.00600 -1.0 2.0
   61    64    72    73   0.04400  1.0 3.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   64    69    40    33   0.56750  1.0 1.0
   64    69    40    33  -0.07550 -1.0 2.0
   64    69    40    33   0.20000  1.0 3.0
   64    69   -40    59   0.56750  1.0 1.0
   64    69   -40    59  -0.07550 -1.0 2.0
   64    69   -40    59   0.20000  1.0 3.0
   64    69    40    41   0.15000  1.0 3.0
   64    72    73    74   3.00000 -1.0 2.0
   64    72    73    75   1.63150  1.0 1.0
   64    72    73    75   2.92000 -1.0 2.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    40   0.15000  1.0 3.0
   65    64    72    73   0.08050  1.0 3.0
   69    64    72    73  -0.25900  1.0 1.0
   69    64    72    73  -0.47000 -1.0 2.0
   69    64    72    73   0.11750  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    59   0.15000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   71    69    40    33   0.15000  1.0 3.0
   71    69    40    59   0.15000  1.0 3.0
   71    69    40    41   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.62750  1.0 1.0
   40    33    42    43  -0.30950 -1.0 2.0
   40    33    42    43   0.27300  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    59   -61    64   0.46850  1.0 1.0
   40    59   -61    64   0.08550 -1.0 2.0
   40    59   -61    64   0.09800  1.0 3.0
   40    59    61    66   0.09850  1.0 1.0
   40    59    61    66   0.15250 -1.0 2.0
   40    59    61    66  -0.50650  1.0 3.0
   40    59    62    63  -0.11600  1.0 1.0
   40    59    62    63  -0.09450 -1.0 2.0
   40    59    62    63   0.21250  1.0 3.0
   72    64    69    70   0.23400  1.0 3.0
   72    64    69    71   0.23400  1.0 3.0
   72    64    69    40   0.62750  1.0 1.0
   72    64    69    40  -0.30950 -1.0 2.0
   72    64    69    40   0.27300  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   66    61    64    65   0.00000  1.0 1.0
   66    61    64    69   0.09850  1.0 1.0
   66    61    64    69   0.15250 -1.0 2.0
   66    61    64    69  -0.50650  1.0 3.0
   66    61    64    72   0.39000  1.0 1.0
   66    61    64    72  -0.05800 -1.0 2.0
   66    61    64    72  -0.55150  1.0 3.0
   62    59    61    64   0.18000  1.0 1.0
   62    59    61    64   0.16450 -1.0 2.0
   62    59    61    64   0.04450  1.0 3.0
   62    59    61    66   0.67800  1.0 1.0
   62    59    61    66   0.47050 -1.0 2.0
   62    59    61    66  -0.62500  1.0 3.0
   62    59    40    33   0.86500  1.0 1.0
   62    59    40    33  -0.17500 -1.0 2.0
   62    59    40    33   0.20800  1.0 3.0
   62    59    40    69   0.86500  1.0 1.0
   62    59    40    69  -0.17500 -1.0 2.0
   62    59    40    69   0.20800  1.0 3.0
   62    59    40    41   0.23400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    59   0.56750  1.0 1.0
   42    33    40    59  -0.07550 -1.0 2.0
   42    33    40    59   0.20000  1.0 3.0
   42    33    40    69   0.56750  1.0 1.0
   42    33    40    69  -0.07550 -1.0 2.0
   42    33    40    69   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    54    50    56   1.10000 -1.0 2.0
   50    60    54    55  10.50000 -1.0 2.0
   57    58    56    50   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
END
