* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    145    230     443
    1     0 S   NP   _N1_     1    28.70447    95.06828   -23.75657
    2     1 S   H    _HN1     2     1.02786   107.13282   -88.42963
    3     1 S   H    _H1_     3     1.02952    79.50757    17.71259
    4     1 S   H    _H2_     4     1.02833    29.77334   175.37585
    5     1 S   CT   _CA1     5     1.50110   132.86239   125.90295
    6     5 S   HC   _HA1     6     1.09577   105.21111    82.99742
    7     5 S   CO3  _C1_     7     1.53794   112.44364   -37.26870
    8     7 S   O2Z  _O11     8     1.26374   114.99985   -42.97917
    9     7 S   O2Z  _O12     9     1.26242   114.95003   136.19910
   10     5 S   CT   _CB1    10     1.53094   107.44490  -158.99597
   11    10 S   HC   HB11    11     1.09832   109.40817   -49.72303
   12    10 S   HC   HB12    12     1.09816   110.43560    66.89431
   13    10 S   CT   _CG1    13     1.52996   112.58712  -170.70077
   14    13 S   HC   HG11    14     1.09586   110.61497   -64.88479
   15    13 S   HC   HG12    15     1.09669   109.80639    54.33729
   16    13 S   C    _CD1    16     1.51800   112.26450   174.82729
   17    16 S   O    _OE1    17     1.22739   123.30101     6.06705
   18    16 S   N    _N2_    18     1.38665   111.65218  -174.19650
   19    18 S   H    _HN2    19     1.01588   118.97580     1.56835
   20    18 S   CT1  _CA2    20     1.46156   123.30201   177.75964
   21    20 S   HC   _HA2    21     1.09749   109.35143    -1.80883
   22    20 S   C    _C2_    22     1.53478   108.45943  -117.21792
   23    22 S   O    _O2_    23     1.23043   122.32482  -147.39487
   24    20 S   CT   _CB2    32     1.53343   111.77896   120.18510
   25    24 S   HC   HB21    33     1.09507   110.19571    56.92993
   26    24 S   HC   HB22    34     1.09510   109.81746   175.95659
   27    22 S   N    _N3_    24     1.38340   113.57767    40.01684
   28    27 S   H    _HN3    25     1.01611   119.55755    -3.50599
   29    24 S   S    _SG2    35     1.82714   111.47171   -64.15691
   30    27 S   CT   _CA3    26     1.45289   123.18231   177.04998
   31    30 S   HC   HA31    27     1.09551   107.52332   -63.99188
   32    30 S   HC   HA32    28     1.09557   107.96382    52.43465
   33    29 S   CT   _C15    36     1.84558    99.80879  -169.46759
   34    33 S   HC   _H13    37     1.09707   106.73486    42.42553
   35    30 S   CO3  _C3_    29     1.52953   114.09267   174.39776
   36    35 S   O2Z  _O31    30     1.26377   116.05307    -1.32057
   37    35 S   O2Z  _O32    31     1.26429   114.41509   178.74727
   38    33 S   CT   _C14    38     1.53564   109.85858   -76.82340
   39    38 S   HC   _H12    39     1.09557   111.95273    57.73588
   40    38 S   CT   _C13    40     1.53199   110.06505   178.98896
   41    40 S   HC   _H11    41     1.09695   110.16348   -63.70425
   42    38 S   OH   _O35    78     1.43071   110.23961   -61.38063
   43    42 S   HO   _H16    79     0.97347   107.16318    57.39280
   44    40 S   CT   _C12    42     1.52978   111.37336    58.43037
   45    44 S   HC   _H10    43     1.09638   110.62935    69.72543
   46    40 S   OH   _O36    76     1.42855   109.86802   179.08187
   47    46 S   HO   _H17    77     0.97210   107.79512    54.99829
   48    44 S   CT   _C11    44     1.53395   111.93068   -54.14970
   49    48 S   HC   _H9_    45     1.09706   109.94908   -73.46120
   50    44 S   OH   _O37    74     1.43310   109.18799  -174.69943
   51    50 S   HO   _H18    75     0.97210   108.15697    60.42742
   52    33 S   CT   _C10    46     1.54793   110.15899   159.74308
   53    52 S   HC   _H8_    47     1.09859   111.17795    54.61020
   54    48 S   OH   _O38    72     1.43211   108.05716   171.96315
   55    54 S   HO   _H19    73     0.97253   108.05661   -64.39002
   56    52 S   OS   _O34    48     1.44130   108.09750   -67.17924
   57    56 S   CO   _C9_    49     1.43323   114.16826   118.75409
   58    57 S   HC   _H7_    50     1.09668   109.50682   -39.20235
   59    57 S   CT   _C8_    51     1.54164   110.53014  -157.67743
   60    59 S   HC   _H6_    52     1.09841   108.34352   173.15413
   61    59 S   CT   _C7_    53     1.53403   111.01100   -68.58135
   62    61 S   HC   _H5_    54     1.09701   111.07196    69.46633
   63    59 S   NTH2 _N4_    69     1.46593   111.66807    54.95238
   64    63 S   H    _H20    70     1.01945   109.48059   177.83291
   65    63 S   H    _H21    71     1.01931   109.90398    60.72377
   66    61 S   CT   _C6_    55     1.53407   109.98051   -52.62243
   67    66 S   HC   _H4_    56     1.09648   108.75024   -70.01080
   68    61 S   OH   _O39    67     1.43078   109.91913  -172.86202
   69    68 S   HO   _H22    68     0.97239   108.07984    63.07389
   70    66 S   CT   _C5_    57     1.53353   110.75587    51.69575
   71    70 S   HC   _H3_    58     1.09690   109.35468    65.69137
   72    66 S   OH   _O40    65     1.42704   109.69494   173.38859
   73    72 S   HO   _H23    66     0.97252   108.05632   -57.03641
   74    57 S   OS   _O33    59     1.43255   112.31936    79.26376
   75    70 S   CT   _C4_    60     1.53180   112.74426  -175.70017
   76    75 S   HC   _H14    61     1.09450   110.93086   -64.08603
   77    75 S   HC   _H15    62     1.09498   110.25820   175.09655
   78    75 S   OH   _O41    63     1.42331   110.61517    56.20954
   79    78 S   HO   _H24    64     0.97237   107.00620   179.48414
  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  10   5   4   3
  16   8   2   1   1  14   7  13   7   4   1  12   7   3   1   9
   6   3   1   8   3   2   1   8  14   6  13   8  14   7   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    53    56    57    54    46    42    43  
   38    39    40    48    52    53    56    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    56    50    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    49    52    54    50    51    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    52  
    0  
   45    48    49    52    53    56    54    55    50    51    46    47  
   48    49    52    54    50    51    46  
   47    48    50  
    0  
   49    52    53    56    57    54    55    50    51  
   52    53    56    54    55    50  
   51    52    54  
    0  
   53    56    57    58    59    74    54    55  
   56    57    54  
   55    56  
    0  
   57    58    59    60    61    70    74    63  
   58    59    60    61    62    66    70    71    74    75    68    63    64    65  
   59    60    61    70    74    63  
   60    61    62    66    67    70    74    72    68    69    63    64    65  
   61    62    66    74    68    63    64    65  
   62    66    67    70    71    74    75    72    73    68    69    63    64    65  
   66    67    70    72    68    69    63  
   64    65    66    68    74  
   65  
    0  
   67    70    71    74    75    76    77    78    72    73    68    69  
   70    71    74    75    72    73    68  
   69    70    72  
    0  
   71    74    75    76    77    78    79    72    73  
   74    75    76    77    78    72  
   73    74    75  
    0  
   75    76    77    78  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   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
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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    57   320.000  1.380
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    74   320.000  1.380
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   300.000  1.468
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    68   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    74   320.000  1.410
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.410
   78    79   553.000  0.945
   72    73   553.000  0.945
   68    69   553.000  0.945
   63    64   495.000  1.019
   63    65   495.000  1.019
   54    55   553.000  0.945
   50    51   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
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  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    48    54    50.00000  109.50000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    56    50.00000  109.50000
   48    54    55    55.00000  108.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    56    57    60.00000  109.50000
   56    52    53    35.00000  109.50000
   56    57    58    35.00000  109.50000
   56    57    59    90.00000  108.56700
   56    57    74    92.60000  111.55000
   57    59    60    45.00000  108.72000
   57    59    61    75.00000  109.43000
   57    59    63    80.00000  112.76400
   57    74    70    60.00000  109.50000
   59    57    58    45.00000  112.01100
   59    61    62    37.50000  110.70000
   59    61    66    58.35000  112.70000
   59    61    68    50.00000  109.50000
   59    63    64    50.00000  110.30900
   59    63    65    50.00000  110.30900
   61    59    60    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    70    58.35000  112.70000
   61    66    72    50.00000  109.50000
   61    68    69    55.00000  108.50000
   66    61    62    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    50.00000  109.50000
   66    70    75    58.35000  112.70000
   66    72    73    55.00000  108.50000
   70    66    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    50.00000  109.50000
   74    57    58    35.00000  109.50000
   74    57    59    90.00000  108.56700
   74    70    71    35.00000  109.50000
   75    70    71    37.50000  110.70000
   75    70    74    50.00000  109.50000
   75    78    79    55.00000  108.50000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   68    61    62    35.00000  109.50000
   68    61    66    50.00000  109.50000
   63    59    60    50.00000  110.79000
   63    59    61    80.00000  112.76400
   65    63    64    40.00000  106.77200
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    56    57   0.06250  1.0 1.0
   33    52    56    57  -0.01100 -1.0 2.0
   33    52    56    57   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    56   0.23400  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    52   0.56750  1.0 1.0
   40    44    48    52  -0.07550 -1.0 2.0
   40    44    48    52   0.20000  1.0 3.0
   40    44    48    54   0.86500  1.0 1.0
   40    44    48    54  -0.17500 -1.0 2.0
   40    44    48    54   0.20800  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.56750  1.0 1.0
   44    48   -52    33  -0.07550 -1.0 2.0
   44    48   -52    33   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    56   0.62750  1.0 1.0
   44    48    52    56  -0.30950 -1.0 2.0
   44    48    52    56   0.27300  1.0 3.0
   44    48    54    55  -0.11600  1.0 1.0
   44    48    54    55  -0.09450 -1.0 2.0
   44    48    54    55   0.21250  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    54   0.23400  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    52    56    57   0.06250  1.0 1.0
   48    52    56    57  -0.01100 -1.0 2.0
   48    52    56    57   0.28050  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    56   0.23400  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    48    54    55  -0.11600  1.0 1.0
   52    48    54    55  -0.09450 -1.0 2.0
   52    48    54    55   0.21250  1.0 3.0
   52    56    57    58   0.37050  1.0 3.0
   52    56    57    59   0.06250  1.0 1.0
   52    56    57    59  -0.01100 -1.0 2.0
   52    56    57    59   0.28050  1.0 3.0
   52    56    57    74  -0.53350  1.0 1.0
   52    56    57    74  -0.78350 -1.0 2.0
   52    56    57    74   0.33750  1.0 3.0
   53    52    56    57   0.37050  1.0 3.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.62750  1.0 1.0
   56    57    59    61  -0.30950 -1.0 2.0
   56    57    59    61   0.27300  1.0 3.0
   56    57    59    63   3.18800  1.0 1.0
   56    57    59    63  -1.12350 -1.0 2.0
   56    57    74    70  -0.81800  1.0 1.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    66   3.97050  1.0 1.0
   57    59    61    68   0.86500  1.0 1.0
   57    59    61    68  -0.17500 -1.0 2.0
   57    59    61    68   0.20800  1.0 3.0
   57    59    63    64   0.21650  1.0 1.0
   57    59    63    64   0.26250 -1.0 2.0
   57    59    63    64   0.12450  1.0 3.0
   57    59    63    65   0.21650  1.0 1.0
   57    59    63    65   0.26250 -1.0 2.0
   57    59    63    65   0.12450  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    74    70   0.37050  1.0 3.0
   59    57    74    70   0.06250  1.0 1.0
   59    57    74    70  -0.01100 -1.0 2.0
   59    57    74    70   0.28050  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61   -66    70   0.56750  1.0 1.0
   59    61   -66    70  -0.07550 -1.0 2.0
   59    61   -66    70   0.20000  1.0 3.0
   59    61    66    72   0.86500  1.0 1.0
   59    61    66    72  -0.17500 -1.0 2.0
   59    61    66    72   0.20800  1.0 3.0
   59    61    68    69  -0.11600  1.0 1.0
   59    61    68    69  -0.09450 -1.0 2.0
   59    61    68    69   0.21250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    61    68   0.23400  1.0 3.0
   60    59    63    64   0.20000  1.0 3.0
   60    59    63    65   0.20000  1.0 3.0
   61    59    63    64   0.21650  1.0 1.0
   61    59    63    64   0.26250 -1.0 2.0
   61    59    63    64   0.12450  1.0 3.0
   61    59    63    65   0.21650  1.0 1.0
   61    59    63    65   0.26250 -1.0 2.0
   61    59    63    65   0.12450  1.0 3.0
   61    66    70    71   0.15000  1.0 3.0
   61    66    70    74   0.62750  1.0 1.0
   61    66    70    74  -0.30950 -1.0 2.0
   61    66    70    74   0.27300  1.0 3.0
   61    66    70    75   0.56750  1.0 1.0
   61    66    70    75  -0.07550 -1.0 2.0
   61    66    70    75   0.20000  1.0 3.0
   61    66    72    73  -0.11600  1.0 1.0
   61    66    72    73  -0.09450 -1.0 2.0
   61    66    72    73   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    70   0.15000  1.0 3.0
   62    61    66    72   0.23400  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   66    61    68    69  -0.11600  1.0 1.0
   66    61    68    69  -0.09450 -1.0 2.0
   66    61    68    69   0.21250  1.0 3.0
   66    70   -74    57   0.06250  1.0 1.0
   66    70   -74    57  -0.01100 -1.0 2.0
   66    70   -74    57   0.28050  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.86500  1.0 1.0
   66    70    75    78  -0.17500 -1.0 2.0
   66    70    75    78   0.20800  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73  -0.11600  1.0 1.0
   70    66    72    73  -0.09450 -1.0 2.0
   70    66    72    73   0.21250  1.0 3.0
   70    75    78    79  -0.11600  1.0 1.0
   70    75    78    79  -0.09450 -1.0 2.0
   70    75    78    79   0.21250  1.0 3.0
   71    70    74    57   0.37050  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.23400  1.0 3.0
   74    57    59    60   0.23400  1.0 3.0
   74    57   -59    61   0.62750  1.0 1.0
   74    57   -59    61  -0.30950 -1.0 2.0
   74    57   -59    61   0.27300  1.0 3.0
   74    57    59    63   3.18800  1.0 1.0
   74    57    59    63  -1.12350 -1.0 2.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   3.69350  1.0 1.0
   74    70    75    78  -1.82950 -1.0 2.0
   75    70    74    57   0.06250  1.0 1.0
   75    70    74    57  -0.01100 -1.0 2.0
   75    70    74    57   0.28050  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79   0.19450  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   3.69350  1.0 1.0
   72    66    70    74  -1.82950 -1.0 2.0
   72    66    70    75   0.86500  1.0 1.0
   72    66    70    75  -0.17500 -1.0 2.0
   72    66    70    75   0.20800  1.0 3.0
   68    61    66    67   0.23400  1.0 3.0
   68    61    66    70   0.86500  1.0 1.0
   68    61    66    70  -0.17500 -1.0 2.0
   68    61    66    70   0.20800  1.0 3.0
   68    61    66    72   3.75450  1.0 1.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    66   1.85550  1.0 1.0
   63    59    61    66  -0.84100 -1.0 2.0
   63    59    61    68   5.28650  1.0 1.0
   54    48    52    33   0.86500  1.0 1.0
   54    48    52    33  -0.17500 -1.0 2.0
   54    48    52    33   0.20800  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    56   3.69350  1.0 1.0
   54    48    52    56  -1.82950 -1.0 2.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   0.86500  1.0 1.0
   50    44    48    52  -0.17500 -1.0 2.0
   50    44    48    52   0.20800  1.0 3.0
   50    44    48    54   3.75450  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  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
END
