* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    223     422
    1     0 S   NP   _N1_     1    28.48244    95.28519   -18.77053
    2     1 S   H    _HN1     2     1.02837    40.00860   161.54723
    3     1 S   H    _H1_     3     1.02779    76.14655   -56.68062
    4     1 S   H    _H2_     4     1.02959    95.08844    50.97657
    5     1 S   CT   _CA1     5     1.50112   147.58152  -166.53200
    6     5 S   HC   _HA1     6     1.09576   105.23327    37.88157
    7     5 S   CO3  _C1_     7     1.53780   112.37866   -82.33659
    8     7 S   O2Z  _O11     8     1.26358   114.99560   -44.29787
    9     7 S   O2Z  _O12     9     1.26238   114.91830   134.89483
   10     5 S   CT   _CB1    10     1.53106   107.44490   155.79194
   11    10 S   HC   HB11    11     1.09826   109.32757   -50.88609
   12    10 S   HC   HB12    12     1.09819   110.42985    65.66375
   13    10 S   CT   _CG1    13     1.53019   112.66447  -171.97828
   14    13 S   HC   HG11    14     1.09594   110.47117   -64.16035
   15    13 S   HC   HG12    15     1.09656   109.94994    55.05724
   16    13 S   C    _CD1    16     1.51810   112.32515   175.42406
   17    16 S   O    _OE1    17     1.22762   123.28999    -0.46520
   18    16 S   N    _N2_    18     1.38684   111.67733   179.71469
   19    18 S   H    _HN2    19     1.01595   119.13072     0.44719
   20    18 S   CT1  _CA2    20     1.46075   123.11273   179.65170
   21    20 S   HC   _HA2    21     1.09411   107.99849   -12.74610
   22    20 S   C    _C2_    22     1.53340   108.82910  -126.17479
   23    22 S   O    _O2_    23     1.22958   122.65939  -141.94751
   24    20 S   CT   _CB2    32     1.53558   111.54557   109.42984
   25    24 S   HC   HB21    33     1.09618   109.82457    45.88163
   26    24 S   HC   HB22    34     1.09503   112.11916   164.17289
   27    22 S   N    _N3_    24     1.38685   112.85493    46.49538
   28    27 S   H    _HN3    25     1.01534   118.87774    -2.99258
   29    24 S   S    _SG2    35     1.83512   112.64859   -73.57408
   30    27 S   CT   _CA3    26     1.45506   123.41079   171.30408
   31    30 S   HC   HA31    27     1.09515   109.13215    27.82324
   32    30 S   HC   HA32    28     1.09473   107.25140   145.04896
   33    29 S   CT   _C16    36     1.83132   100.02012   -85.79527
   34    33 S   HC   _H8_    37     1.09529   107.27759   -83.46984
   35    30 S   CO3  _C3_    29     1.52961   112.82120   -95.33098
   36    35 S   O2Z  _O31    30     1.26412   115.58929   -43.90522
   37    35 S   O2Z  _O32    31     1.26431   115.26587   135.93031
   38    33 S   CT   _C15    38     1.52986   111.98523   153.97231
   39    38 S   HC   _H7_    39     1.09742   111.46339   -28.01341
   40    38 S   CT   _C14    40     1.52425   102.62809  -144.57079
   41    40 S   HC   _H6_    41     1.09330   112.99473   159.69351
   42    38 S   OH   _O34    78     1.41501   111.95482    93.79180
   43    42 S   HO   _H19    79     0.97254   107.60203   166.63664
   44    40 S   CO   _C13    42     1.52192   100.08825    38.19460
   45    44 S   HC   _H5_    43     1.09794   110.43900    72.53221
   46    40 S   OH   _O35    76     1.42737   110.52987   -79.30297
   47    46 S   HO   _H20    77     0.97298   108.24369    72.71625
   48    44 S   N*   _N8_    44     1.44597   114.42783  -163.45234
   49    33 S   OS   _O33    75     1.43505   112.20169    34.77059
   50    48 S   CDX  _C12    45     1.37306   125.24463   -63.47264
   51    50 S   HC   _H18    46     1.10032   116.81791    15.41571
   52    50 S   NI   _N7_    47     1.31098   118.75769  -159.19905
   53    52 S   CT   _C11    48     1.49321   100.46350    -8.60088
   54    53 S   HC   _H4_    49     1.10112   107.06763   -92.71832
   55    53 S   CG   _C8_    50     1.47532   118.74730   144.65422
   56    55 S   NG   _N5_    51     1.33873   112.86757  -162.40328
   57    56 S   H    _H16    52     1.01623   118.64014  -174.85277
   58    55 S   NG   _N4_    58     1.32698   118.70606    18.96299
   59    58 S   H    _H15    59     1.01733   116.15553    -1.01298
   60    56 S   CDX  _C9_    53     1.44904   121.60470     5.25777
   61    60 S   HC   _H17    54     1.10064   113.58575  -163.63569
   62    58 S   CT   _C7_    60     1.46627   122.73927  -179.89913
   63    62 S   HC   _H13    61     1.09526   109.08931    55.84895
   64    62 S   HC   _H14    62     1.09336   109.17055   -61.65437
   65    60 S   NI   _N6_    55     1.29504   124.20109    15.73053
   66    62 S   CM   _C6_    63     1.49619   108.52978   174.87493
   67    66 S   HC   _H12    64     1.08922   114.18527   -82.39308
   68    48 S   CT   _C10    56     1.44994   120.02172   155.53990
   69    68 S   HC   _H3_    57     1.10240   106.44905    60.92574
   70    66 S   CM   _C5_    65     1.34730   127.43560    99.44366
   71    70 S   CT   _C4_    66     1.50439   124.45114    -3.25221
   72    71 S   HC   _H9_    67     1.09460   110.35888   110.85269
   73    71 S   HC   _H10    68     1.09545   110.10146  -129.57281
   74    71 S   HC   _H11    69     1.09279   113.21607   -10.33257
   75    70 S   CT   _C17    70     1.50771   120.39921   178.34531
   76    75 S   HC   _H21    71     1.09521   110.15437   120.80958
   77    75 S   HC   _H22    72     1.09511   112.18109     0.31898
   78    75 S   OH   _O36    73     1.42106   109.36255  -119.64928
   79    78 S   HO   _H23    74     0.97226   107.01383  -179.19254
  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
  12   6   2   1   1  11   7  11   7   4   1  12   5   3   1  11
   2   8   3   8  11   6  13   8   4   9   4   4   2   7   4   3
   2  10   3   1   1   9   7   3   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    46    42    43  
   38    39    40    44    49    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    49    46    47    42    43  
   40    41    44    49    46    42    43  
   41    44    45    48    50    68    49    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    49  
    0  
   45    48    50    51    52    53    65    68    69    49    46    47  
   48    50    68    49    46  
   47    48    49  
    0  
   50    51    52    53    54    55    60    65    68    69    49  
   50    68  
   51    52    53    54    55    65    68    69  
   52    53    68  
   53    54    55    56    65    68    69    58  
   54    55    56    57    60    65    68    69    58    59    62  
   55    56    65    68    69    58  
   56    57    60    61    65    68    69    58    59    62    63    64    66  
   57    60    61    65    68    58    59    62  
   60    61    65    58  
   59    62    63    64    66    67    70    60    68  
   62    63    64    66  
   61    65    68    69  
   65    68  
   63    64    66    67    70    71    75  
   64    66    67    70  
   66    67    70  
   68    69  
   67    70    71    72    73    74    75    76    77    78  
   70    71    75  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.100000   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   3.2500   0.1700  -0.220000   1.9050   1.6860   0.051222218  -2.220205820
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7500   0.1050   0.275900   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   52   3.2800   0.1700  -0.516000   1.8540   1.6400   0.005000000   0.000000000
   53   3.5000   0.0660   0.326800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.2500   0.0500   0.137000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.2500   0.1700  -0.151000   1.8650   1.6500   0.051222218  -2.220205820
   57   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.340900   2.2900   2.0360   0.003973653   1.685851020
   59   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.192400   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2800   0.1700  -0.516000   1.8540   1.6400   0.005000000   0.000000000
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.219500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    49   320.000  1.410
   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   250.000  1.527
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   275.000  1.479
   44    49   320.000  1.380
   48    50   360.000  1.429
   48    68   337.000  1.475
   50    51   370.000  1.091
   50    52   650.000  1.285
   52    53   315.000  1.435
   53    54   340.000  1.090
   53    55   290.000  1.488
   53    68   268.000  1.529
   55    56   481.000  1.340
   55    58   481.000  1.340
   56    57   434.000  1.010
   56    60   420.000  1.378
   60    61   370.000  1.091
   60    65   650.000  1.285
   65    68   315.000  1.435
   68    69   340.000  1.090
   58    59   434.000  1.010
   58    62   337.000  1.463
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.510
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   317.000  1.510
   70    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.410
   78    79   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    49    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    49    44    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    75.00000  109.43000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    45.00000  112.01100
   40    44    48    75.00000  107.44000
   40    44    49    90.00000  108.56700
   40    46    47    55.00000  108.50000
   44    40    41    45.00000  108.72000
   44    48    50    70.00000  121.20000
   44    48    68    65.00000  120.78000
   48    44    45    55.00000  103.44000
   48    50    51    45.00000  112.72000
   48    50    52    80.00000  119.04400
   48    68    53    80.00000  111.20000
   48    68    65    85.00000  109.00000
   48    68    69    35.00000  109.50000
   50    52    53    75.00000  112.28000
   52    50    51    45.00000  121.92500
   52    53    54    50.00000  110.29200
   52    53    55    75.00000  110.00000
   52    53    68    80.00000  110.18800
   53    55    56    70.00000  119.45300
   53    55    58    70.00000  119.45300
   53    68    65    80.00000  110.18800
   53    68    69    37.50000  110.70000
   55    53    54    45.00000  109.33400
   55    56    57    35.00000  120.00000
   55    56    60    60.00000  130.72000
   55    58    59    35.00000  120.00000
   55    58    62    50.00000  123.20000
   56    60    61    50.00000  114.66700
   56    60    65    95.00000  107.96000
   60    56    57    35.00000  119.50000
   60    65    68    75.00000  112.28000
   65    60    61    45.00000  121.92500
   65    68    69    50.00000  110.29200
   68    48    50    70.00000  121.20000
   68    53    54    37.50000  110.70000
   68    53    55    70.00000  109.02000
   58    55    56    70.00000  120.00000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    66    85.00000  108.88000
   62    58    59    35.00000  118.40000
   62    66    67    35.00000  117.00000
   62    66    70    70.00000  124.00000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    70    71    70.00000  124.00000
   66    70    75    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    90.00000  110.39200
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    65.00000  117.92700
   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
   49    33    34    35.00000  109.50000
   49    33    38    50.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    48   105.00000  106.22000
   46    40    41    35.00000  109.50000
   46    40    44    90.00000  111.58700
   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    49   0.13850  1.0 1.0
   24    29    33    49  -1.34450 -1.0 2.0
   24    29    33    49   0.57400  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    49    44   0.14700  1.0 1.0
   29    33    49    44  -1.16150 -1.0 2.0
   29    33    49    44   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   3.97050  1.0 1.0
   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
   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    49    44   0.37050  1.0 3.0
   38    33   -49    44   0.06250  1.0 1.0
   38    33   -49    44  -0.01100 -1.0 2.0
   38    33   -49    44   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    48  -0.27100  1.0 1.0
   38    40    44    48  -0.01700 -1.0 2.0
   38    40    44    48  -0.48600  1.0 3.0
   38    40   -44    49   0.62750  1.0 1.0
   38    40   -44    49  -0.30950 -1.0 2.0
   38    40   -44    49   0.27300  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    50   2.08450  1.0 1.0
   40    44    48    50  -0.39300 -1.0 2.0
   40    44    48    50   0.23400  1.0 3.0
   40    44    48    68   2.08450  1.0 1.0
   40    44    48    68  -0.39300 -1.0 2.0
   40    44    48    68   0.23400  1.0 3.0
   40    44   -49    33   0.06250  1.0 1.0
   40    44   -49    33  -0.01100 -1.0 2.0
   40    44   -49    33   0.28050  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    49   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    50    51   1.88100 -1.0 2.0
   44    48    50    52   3.62500 -1.0 2.0
   44    48    68    53   0.00000  1.0 1.0
   44    48    68    65   0.68100  1.0 1.0
   44    48    68    65   0.03350 -1.0 2.0
   44    48    68    65   0.36200  1.0 3.0
   44    48    68    69   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    68   0.00000  1.0 1.0
   45    44    49    33   0.37050  1.0 3.0
   48    44    49    33  -2.37750  1.0 1.0
   48    44    49    33  -0.08150 -1.0 2.0
   48    44    49    33   0.59000  1.0 3.0
   48    50   -52    53   6.00000 -1.0 2.0
   50    48   -68    53   2.08450  1.0 1.0
   50    48   -68    53  -0.39300 -1.0 2.0
   50    48   -68    53   0.23400  1.0 3.0
   50    48    68    65   0.68100  1.0 1.0
   50    48    68    65   0.03350 -1.0 2.0
   50    48    68    65   0.36200  1.0 3.0
   50    48    68    69   0.00000  1.0 1.0
   50    52    53    54  -0.15000  1.0 3.0
   50    52    53    55  -0.12500  1.0 1.0
   50    52    53    55  -0.12500 -1.0 2.0
   50    52    53    55   0.25000  1.0 3.0
   50    52   -53    68  -0.12500  1.0 1.0
   50    52   -53    68  -0.12500 -1.0 2.0
   50    52   -53    68   0.25000  1.0 3.0
   51    50    52    53  -0.02700  1.0 1.0
   51    50    52    53   5.27600 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    58   0.00000  1.0 1.0
   52    53   -68    48   0.56750  1.0 1.0
   52    53   -68    48  -0.07550 -1.0 2.0
   52    53   -68    48   0.20000  1.0 3.0
   52    53    68    65   0.56750  1.0 1.0
   52    53    68    65  -0.07550 -1.0 2.0
   52    53    68    65   0.20000  1.0 3.0
   52    53    68    69   0.15000  1.0 3.0
   53    55    56    57   1.50000 -1.0 2.0
   53    55    56    60   4.00000 -1.0 2.0
   53    55    58    59   1.50000 -1.0 2.0
   53    55    58    62   6.00000 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    58   0.00000  1.0 1.0
   54    53    68    48   0.15000  1.0 3.0
   54    53    68    65   0.15000  1.0 3.0
   54    53    68    69   0.15000  1.0 3.0
   55    53    68    48   0.10350  1.0 1.0
   55    53    68    48  -0.04400 -1.0 2.0
   55    53    68    48   0.08800  1.0 3.0
   55    53    68    65   0.56750  1.0 1.0
   55    53    68    65  -0.07550 -1.0 2.0
   55    53    68    65   0.20000  1.0 3.0
   55    53    68    69   0.15000  1.0 3.0
   55    56    60    61   0.00000  1.0 1.0
   55    56   -60    65   1.00000 -1.0 2.0
   55    58    62    63   0.08850  1.0 3.0
   55    58    62    64   0.08850  1.0 3.0
   55    58    62    66  -0.12500  1.0 1.0
   55    58    62    66  -0.12500 -1.0 2.0
   55    58    62    66   0.25000  1.0 3.0
   56    55    58    59   1.50000 -1.0 2.0
   56    55    58    62   3.96800 -1.0 2.0
   56    60    65    68   0.32050  1.0 1.0
   56    60    65    68   8.28000 -1.0 2.0
   57    56    60    61   1.00000 -1.0 2.0
   57    56    60    65   1.50000 -1.0 2.0
   60    65    68    48  -0.12500  1.0 1.0
   60    65    68    48  -0.12500 -1.0 2.0
   60    65    68    48   0.25000  1.0 3.0
   60    65   -68    53  -0.12500  1.0 1.0
   60    65   -68    53  -0.12500 -1.0 2.0
   60    65   -68    53   0.25000  1.0 3.0
   60    65    68    69  -0.15000  1.0 3.0
   61    60    65    68  -0.02700  1.0 1.0
   61    60    65    68   5.27600 -1.0 2.0
   68    48    50    51   1.88100 -1.0 2.0
   68    48   -50    52   3.62500 -1.0 2.0
   68    53   -55    56  -0.93550  1.0 1.0
   68    53   -55    56   0.38900 -1.0 2.0
   68    53   -55    56   0.16950  1.0 3.0
   68    53    55    58  -0.93550  1.0 1.0
   68    53    55    58   0.38900 -1.0 2.0
   68    53    55    58   0.16950  1.0 3.0
   58    55    56    57   1.50000 -1.0 2.0
   58    55    56    60   4.00000 -1.0 2.0
   58    62    66    67   0.00000  1.0 1.0
   58    62    66    70   0.62150  1.0 1.0
   58    62    66    70   0.42850 -1.0 2.0
   58    62    66    70  -0.68200  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    64   0.00000  1.0 1.0
   59    58    62    66   0.00000  1.0 1.0
   62    66    70    71   7.00000 -1.0 2.0
   62    66    70    75   7.00000 -1.0 2.0
   63    62    66    67   0.33100  1.0 3.0
   63    62    66    70   0.00000  1.0 1.0
   64    62    66    67   0.33100  1.0 3.0
   64    62    66    70   0.00000  1.0 1.0
   66    70    71    72   0.00000  1.0 1.0
   66    70    71    73   0.00000  1.0 1.0
   66    70    71    74   0.00000  1.0 1.0
   66    70    75    76   0.00000  1.0 1.0
   66    70    75    77   0.00000  1.0 1.0
   66    70    75    78   0.67800  1.0 1.0
   66    70    75    78   0.47050 -1.0 2.0
   66    70    75    78  -0.62500  1.0 3.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    75   7.00000 -1.0 2.0
   70    75    78    79  -0.07800  1.0 1.0
   70    75    78    79  -0.21500 -1.0 2.0
   70    75    78    79  -0.03150  1.0 3.0
   71    70    75    76   0.34800  1.0 3.0
   71    70    75    77   0.34800  1.0 3.0
   71    70    75    78   0.18000  1.0 1.0
   71    70    75    78   0.16450 -1.0 2.0
   71    70    75    78   0.04450  1.0 3.0
   75    70    71    72   0.34800  1.0 3.0
   75    70    71    73   0.34800  1.0 3.0
   75    70    71    74   0.34800  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79   0.19450  1.0 3.0
   49    33    38    39   0.23400  1.0 3.0
   49    33   -38    40   0.62750  1.0 1.0
   49    33   -38    40  -0.30950 -1.0 2.0
   49    33   -38    40   0.27300  1.0 3.0
   49    33    38    42   3.69350  1.0 1.0
   49    33    38    42  -1.82950 -1.0 2.0
   49    44    48    50  -0.28000  1.0 1.0
   49    44    48    50  -1.16550 -1.0 2.0
   49    44    48    68   0.10350  1.0 1.0
   49    44    48    68  -0.15350 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   2.76900  1.0 1.0
   46    40    44    48  -0.24350 -1.0 2.0
   46    40    44    48  -0.78250  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   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
   68    50    48    44   1.00000 -1.0 2.0
   48    51    50    52  10.50000 -1.0 2.0
   56    53    55    58  10.50000 -1.0 2.0
   57    55    56    60   1.00000 -1.0 2.0
   56    61    60    65  10.50000 -1.0 2.0
   62    59    58    55   1.00000 -1.0 2.0
   62    67    66    70  15.00000 -1.0 2.0
   71    75    70    66  15.00000 -1.0 2.0
END
