* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    150    232     448
    1     0 S   NP   _N1_     1    28.65991    94.56731   -24.44665
    2     1 S   H    _HN1     2     1.02788   109.75949   -92.53377
    3     1 S   H    _H1_     3     1.02950    81.03650    13.86038
    4     1 S   H    _H2_     4     1.02830    27.26504   176.59705
    5     1 S   CT   _CA1     5     1.50109   129.38457   122.96694
    6     5 S   HC   _HA1     6     1.09573   105.19799    82.48172
    7     5 S   CO3  _C1_     7     1.53779   112.47610   -37.78222
    8     7 S   O2Z  _O11     8     1.26373   115.00523   -42.46181
    9     7 S   O2Z  _O12     9     1.26235   114.94066   136.68609
   10     5 S   CT   _CB1    10     1.53074   107.42854  -159.51000
   11    10 S   HC   HB11    11     1.09835   109.37768   -49.57804
   12    10 S   HC   HB12    12     1.09813   110.44536    67.02685
   13    10 S   CT   _CG1    13     1.53000   112.61464  -170.54129
   14    13 S   HC   HG11    14     1.09580   110.67408   -65.82845
   15    13 S   HC   HG12    15     1.09669   109.76479    53.42149
   16    13 S   C    _CD1    16     1.51792   112.15547   173.90378
   17    16 S   O    _OE1    17     1.22733   123.26607     8.47378
   18    16 S   N    _N2_    18     1.38653   111.71856  -171.72635
   19    18 S   H    _HN2    19     1.01583   118.92421     1.88003
   20    18 S   CT1  _CA2    20     1.46203   123.32871   177.19132
   21    20 S   HC   _HA2    21     1.09730   109.43976     2.79995
   22    20 S   C    _C2_    22     1.53558   108.49919  -112.74942
   23    22 S   O    _O2_    23     1.23058   122.27661  -147.18084
   24    20 S   CT   _CB2    32     1.53365   111.55506   124.93678
   25    24 S   HC   HB21    33     1.09395   109.63587    57.45341
   26    24 S   HC   HB22    34     1.09472   109.76081   175.83360
   27    22 S   N    _N3_    24     1.38314   113.68790    40.15378
   28    27 S   H    _HN3    25     1.01584   119.59809    -3.14989
   29    24 S   S    _SG2    35     1.83266   111.28108   -64.87916
   30    27 S   CT   _CA3    26     1.45289   123.23942   177.23445
   31    30 S   HC   HA31    27     1.09548   107.49688   -65.00152
   32    30 S   HC   HA32    28     1.09556   108.00664    51.44995
   33    29 S   CT   _C13    36     1.88493   101.87425   164.95196
   34    30 S   CO3  _C3_    29     1.52969   114.05370   173.44842
   35    34 S   O2Z  _O31    30     1.26380   116.05825    -0.88204
   36    34 S   O2Z  _O32    31     1.26426   114.41718   179.18555
   37    33 S   CT   _C12    37     1.55423   108.12705    49.90773
   38    37 S   HC   _H17    38     1.09958   109.67804    33.00828
   39    37 S   HC   _H18    39     1.09176   109.91584   -81.63265
   40    33 S   CT   _C14    59     1.57543   106.42557   -75.56966
   41    40 S   HC   _H5_    60     1.09505   110.33638    42.18075
   42    33 S   CT   _C20    79     1.54767   103.44179   167.25581
   43    42 S   HC   _H22    80     1.09666   112.92056    51.58426
   44    42 S   HC   _H23    81     1.09692   111.44104   -68.89258
   45    42 S   HC   _H24    82     1.09513   111.30374   171.07416
   46    37 S   CT   _C11    40     1.53704   115.60114   151.24628
   47    46 S   HC   _H15    41     1.09910   108.53089   -83.04243
   48    46 S   HC   _H16    42     1.09140   111.79328    31.19947
   49    40 S   OH   _O37    61     1.43959   108.34795   -72.19478
   50    49 S   HO   _H21    62     0.97342   107.11713    58.31054
   51    46 S   CT   _C10    43     1.53745   114.15424   156.31985
   52    51 S   HC   _H4_    44     1.09832   107.98904    54.71671
   53    51 S   CM   _C8_    45     1.51864   113.04056   -68.98922
   54    51 S   OS   _O38    76     1.43635   106.94648   171.40913
   55    53 S   CT   _C7_    46     1.51419   117.71643   -58.89746
   56    55 S   HC   _H11    47     1.09890   107.89146  -109.35060
   57    55 S   HC   _H12    48     1.09606   110.91245     2.97190
   58    53 S   CM   _C9_    73     1.34398   120.70747   122.85057
   59    58 S   HC   _H13    74     1.08530   121.41520    -0.95491
   60    58 S   HC   _H14    75     1.08492   121.57797   178.50944
   61    54 S   OH   _O39    77     1.45670   106.14429  -154.37826
   62    61 S   HO   _H25    78     0.97286    95.96598  -101.64825
   63    55 S   CT   _C6_    49     1.54266   116.44541   127.84287
   64    63 S   HC   _H3_    50     1.09880   108.78825    70.71014
   65    63 S   CT   _C16    51     1.55246   114.32383   -50.10410
   66    65 S   HC   _H7_    52     1.09042   109.53733    55.26704
   67    63 S   OS   _O34    66     1.44996   107.50447  -171.37233
   68    65 S   CM   _C17    53     1.49797   109.81787   174.81783
   69    67 S   CO4  _C5_    67     1.36220   117.74001   -85.63670
   70    69 S   O    _O33    68     1.22296   126.42497     0.90049
   71    68 S   CO4  _C19    54     1.47305   108.90249    97.64375
   72    71 S   O    _O35    55     1.21665   127.30374  -168.69765
   73    68 S   CM   _C18    63     1.33533   128.48227   -84.62983
   74    73 S   HC   _H19    64     1.08494   120.78329     1.32367
   75    73 S   HC   _H20    65     1.08513   121.66725  -178.75228
   76    69 S   CT   _C4_    69     1.49826   109.43019  -179.15721
   77    76 S   HC   _H8_    70     1.09287   109.81890   -61.56438
   78    76 S   HC   _H9_    71     1.09376   109.37088   179.33412
   79    76 S   HC   _H10    72     1.09299   109.81123    60.31708
   80    71 S   OS   _O36    56     1.36164   106.35139     9.70904
   81    65 S   CT   _C15    57     1.53821   116.04743   -72.89967
   82    81 S   HC   _H6_    58     1.09164   113.26329    26.94440
  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
  19   2   1   1  17   7   6  16   7   6   2   1   1   9   5   4
   5   1  12   5  12   4  13   6   5   3   1   1   1   1  13   6
  12   7   8   8   5   4   7   3   4   1   1   3   2   1   1   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    81    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    65    80    81    82    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    81    40    41    49    54    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    63    65    66    68    71    80    81    82  
   49    50    42    65    80    81    82  
   43    44    45    46    49    81  
   44    45  
   45  
    0  
   47    48    51    52    53    55    58    54    61  
   48    51    52    53    54  
   51    52    53    54  
   50    65    80    81    82  
   81  
   52    53    55    56    57    63    58    59    60    54    61    62  
   53    55    58    54    61  
   55    56    57    63    64    65    67    58    59    60    54    61  
   61    62    55    58  
   56    57    63    64    65    66    68    81    67    69    58    59    60  
   57    63    64    65    67    58  
   63    64    65    67    58  
   59    60    63  
   60  
    0  
   62  
    0  
   64    65    66    68    71    80    81    82    73    67    69    70    76  
   65    66    68    81    67    69  
   66    68    71    72    80    81    82    73    74    75    67    69  
   68    71    80    81    82    73    67  
   69    70    76    77    78    79    68    81  
   71    72    80    81    82    73    74    75  
   70    76    77    78    79  
   76    77    78    79  
   72    80    81    82    73    74    75  
   80    81    73  
   74    75    80    81  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    82  
   82  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   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   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   320.000  1.410
   53    55   317.000  1.510
   53    58   549.000  1.340
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   320.000  1.410
   65    66   340.000  1.090
   65    68   317.000  1.510
   65    81   268.000  1.529
   68    71   320.000  1.462
   68    73   549.000  1.340
   71    72   570.000  1.229
   71    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   73    74   340.000  1.080
   73    75   340.000  1.080
   67    69   214.000  1.327
   69    70   570.000  1.229
   69    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
   54    61   295.000  1.451
   61    62   553.000  0.945
   42    43   340.000  1.090
   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    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    58.35000  112.70000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    70.00000  112.02700
   46    51    54    50.00000  109.50000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    55    65.00000  117.92700
   51    53    58    70.00000  124.00000
   51    54    61   125.00000  106.88800
   53    51    52    35.00000  109.50000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.02700
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   55    63    64    37.50000  110.70000
   55    63    65    58.35000  112.70000
   55    63    67    50.00000  109.50000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    68    70.00000  112.02700
   63    65    81    58.35000  112.70000
   63    67    69    83.00000  116.90000
   65    63    64    37.50000  110.70000
   65    68    71    65.00000  116.34900
   65    68    73    70.00000  124.00000
   65    81    80    50.00000  109.50000
   65    81    82    37.50000  110.70000
   65    81    40    58.35000  112.70000
   68    65    66    35.00000  109.50000
   68    71    72    80.00000  123.72100
   68    71    80    90.00000  111.29400
   68    73    74    35.00000  120.00000
   68    73    75    35.00000  120.00000
   71    80    81    83.00000  116.90000
   80    71    72    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    40    50.00000  109.50000
   81    65    66    37.50000  110.70000
   81    65    68    70.00000  112.02700
   81    40    41    37.50000  110.70000
   81    40    49    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   73    68    71    65.00000  118.96000
   75    73    74    35.00000  117.00000
   67    63    64    35.00000  109.50000
   67    63    65    50.00000  109.50000
   67    69    70    83.00000  123.40000
   67    69    76    81.00000  111.40000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    35.00000  109.50000
   76    69    70    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    53    55    70.00000  124.00000
   60    58    59    35.00000  117.00000
   54    51    52    35.00000  109.50000
   54    51    53    85.00000  110.90400
   54    61    62    90.00000  100.86400
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   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    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  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   0.15000  1.0 3.0
   33    37    46    51   0.56750  1.0 1.0
   33    37    46    51  -0.07550 -1.0 2.0
   33    37    46    51   0.20000  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  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    51    52   0.15000  1.0 3.0
   37    46    51    53   0.34400  1.0 1.0
   37    46    51    53   0.09450 -1.0 2.0
   37    46    51    53   0.11100  1.0 3.0
   37    46    51    54   0.62750  1.0 1.0
   37    46    51    54  -0.30950 -1.0 2.0
   37    46    51    54   0.27300  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    51   0.15000  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    51   0.15000  1.0 3.0
   46    51    53    55   0.46850  1.0 1.0
   46    51    53    55   0.08550 -1.0 2.0
   46    51    53    55   0.09800  1.0 3.0
   46    51    53    58   0.09850  1.0 1.0
   46    51    53    58   0.15250 -1.0 2.0
   46    51    53    58  -0.50650  1.0 3.0
   46    51    54    61   0.37500  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.23400  1.0 3.0
   51    53    55    56   0.34800  1.0 3.0
   51    53    55    57   0.34800  1.0 3.0
   51    53    55    63   0.46850  1.0 1.0
   51    53    55    63   0.08550 -1.0 2.0
   51    53    55    63   0.09800  1.0 3.0
   51    53    58    59   7.00000 -1.0 2.0
   51    53    58    60   7.00000 -1.0 2.0
   51    54    61    62  -2.50000 -1.0 2.0
   52    51    53    55   0.34800  1.0 3.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    54    61   0.37500  1.0 3.0
   53    51    54    61   0.37500  1.0 3.0
   53    55    63    64   0.15000  1.0 3.0
   53    55    63    65   0.34400  1.0 1.0
   53    55    63    65   0.09450 -1.0 2.0
   53    55    63    65   0.11100  1.0 3.0
   53    55    63    67   0.61850  1.0 1.0
   53    55    63    67  -0.22750 -1.0 2.0
   53    55    63    67   0.15300  1.0 3.0
   55    53    58    59   7.00000 -1.0 2.0
   55    53    58    60   7.00000 -1.0 2.0
   55    63    65    66   0.15000  1.0 3.0
   55    63    65    68   0.34400  1.0 1.0
   55    63    65    68   0.09450 -1.0 2.0
   55    63    65    68   0.11100  1.0 3.0
   55    63    65    81   0.56750  1.0 1.0
   55    63    65    81  -0.07550 -1.0 2.0
   55    63    65    81   0.20000  1.0 3.0
   55    63    67    69  -0.25900  1.0 1.0
   55    63    67    69  -0.47000 -1.0 2.0
   55    63    67    69   0.11750  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    67   0.23400  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   57    55    63    67   0.23400  1.0 3.0
   63    65    68    71   0.09700  1.0 1.0
   63    65    68    71   0.15600 -1.0 2.0
   63    65    68    71  -0.50800  1.0 3.0
   63    65    68    73   0.09850  1.0 1.0
   63    65    68    73   0.15250 -1.0 2.0
   63    65    68    73  -0.50650  1.0 3.0
   63    65    81    80   0.62750  1.0 1.0
   63    65    81    80  -0.30950 -1.0 2.0
   63    65    81    80   0.27300  1.0 3.0
   63    65    81    82   0.15000  1.0 3.0
   63    65    81    40   0.56750  1.0 1.0
   63    65    81    40  -0.07550 -1.0 2.0
   63    65    81    40   0.20000  1.0 3.0
   63    67    69    70   3.00000 -1.0 2.0
   63    67    69    76   1.63150  1.0 1.0
   63    67    69    76   2.92000 -1.0 2.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    81   0.15000  1.0 3.0
   64    63    67    69   0.08050  1.0 3.0
   65    63    67    69  -0.25900  1.0 1.0
   65    63    67    69  -0.47000 -1.0 2.0
   65    63    67    69   0.11750  1.0 3.0
   65    68    71    72  -0.64400  1.0 1.0
   65    68    71    72   0.26850 -1.0 2.0
   65    68   -71    80  -0.15000  1.0 1.0
   65    68   -71    80   0.89550 -1.0 2.0
   65    68   -71    80  -0.06900  1.0 3.0
   65    68    73    74   7.00000 -1.0 2.0
   65    68    73    75   7.00000 -1.0 2.0
   65    81    40    33   0.56750  1.0 1.0
   65    81    40    33  -0.07550 -1.0 2.0
   65    81    40    33   0.20000  1.0 3.0
   65    81    40    41   0.15000  1.0 3.0
   65    81    40    49   0.86500  1.0 1.0
   65    81    40    49  -0.17500 -1.0 2.0
   65    81    40    49   0.20800  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   66    65    68    73   0.00000  1.0 1.0
   66    65    81    80   0.23400  1.0 3.0
   66    65    81    82   0.15000  1.0 3.0
   66    65    81    40   0.15000  1.0 3.0
   68    65   -81    80   0.61850  1.0 1.0
   68    65   -81    80  -0.22750 -1.0 2.0
   68    65   -81    80   0.15300  1.0 3.0
   68    65    81    82   0.15000  1.0 3.0
   68    65    81    40   0.34400  1.0 1.0
   68    65    81    40   0.09450 -1.0 2.0
   68    65    81    40   0.11100  1.0 3.0
   68    71   -80    81   2.00000 -1.0 2.0
   71    68    73    74   7.00000 -1.0 2.0
   71    68    73    75   7.00000 -1.0 2.0
   71    80   -81    65  -0.25900  1.0 1.0
   71    80   -81    65  -0.47000 -1.0 2.0
   71    80   -81    65   0.11750  1.0 3.0
   71    80    81    82   0.08050  1.0 3.0
   71    80    81    40  -0.25900  1.0 1.0
   71    80    81    40  -0.47000 -1.0 2.0
   71    80    81    40   0.11750  1.0 3.0
   72    71    80    81   3.00000 -1.0 2.0
   80    81    40    33   0.62750  1.0 1.0
   80    81    40    33  -0.30950 -1.0 2.0
   80    81    40    33   0.27300  1.0 3.0
   80    81    40    41   0.23400  1.0 3.0
   80    81    40    49   3.69350  1.0 1.0
   80    81    40    49  -1.82950 -1.0 2.0
   81    65   -68    71   0.09700  1.0 1.0
   81    65   -68    71   0.15600 -1.0 2.0
   81    65   -68    71  -0.50800  1.0 3.0
   81    65    68    73   0.09850  1.0 1.0
   81    65    68    73   0.15250 -1.0 2.0
   81    65    68    73  -0.50650  1.0 3.0
   81    40    49    50  -0.11600  1.0 1.0
   81    40    49    50  -0.09450 -1.0 2.0
   81    40    49    50   0.21250  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    49   0.23400  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   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   73    68    71    72   1.00000 -1.0 2.0
   73    68    71    80  -0.56150  1.0 1.0
   73    68    71    80   2.19150 -1.0 2.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    68   0.61850  1.0 1.0
   67    63    65    68  -0.22750 -1.0 2.0
   67    63    65    68   0.15300  1.0 3.0
   67    63    65    81   0.62750  1.0 1.0
   67    63    65    81  -0.30950 -1.0 2.0
   67    63    65    81   0.27300  1.0 3.0
   67    69    76    77   0.00000  1.0 1.0
   67    69    76    78   0.00000  1.0 1.0
   67    69    76    79   0.00000  1.0 1.0
   70    69    76    77   0.00000  1.0 1.0
   70    69    76    78   0.00000  1.0 1.0
   70    69    76    79   0.00000  1.0 1.0
   58    53    55    56   0.00000  1.0 1.0
   58    53    55    57   0.00000  1.0 1.0
   58    53    55    63   0.09850  1.0 1.0
   58    53    55    63   0.15250 -1.0 2.0
   58    53    55    63  -0.50650  1.0 3.0
   54    51    53    55   0.09700  1.0 1.0
   54    51    53    55   0.15600 -1.0 2.0
   54    51    53    55  -0.50800  1.0 3.0
   54    51    53    58   0.39000  1.0 1.0
   54    51    53    58  -0.05800 -1.0 2.0
   54    51    53    58  -0.55150  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    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  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
   51    55    53    58   1.10000 -1.0 2.0
   65    71    68    73   1.10000 -1.0 2.0
   68    80    71    72  10.50000 -1.0 2.0
   74    75    73    68   1.10000 -1.0 2.0
   67    76    69    70  10.50000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
END
