* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    162    231     468
    1     0 S   NP   _N1_     1    29.55718    91.90105   -18.88177
    2     1 S   H    _HN1     2     1.03192   114.61893    55.46242
    3     1 S   H    _H1_     3     1.02736    22.18004   130.53162
    4     1 S   H    _H2_     4     1.03106    85.61151   -50.79996
    5     1 S   CT   _CA1     5     1.49806   122.98633  -165.04822
    6     5 S   HC   _HA1     6     1.09588   105.23854    40.94034
    7     5 S   CO3  _C1_     7     1.53806   112.42123   -78.94934
    8     7 S   O2Z  _O11     8     1.26314   115.25994   -48.02314
    9     7 S   O2Z  _O12     9     1.26307   114.82720   131.28756
   10     5 S   CT   _CB1    10     1.53133   107.45092   158.55970
   11    10 S   HC   HB11    11     1.09820   109.11437   -53.86398
   12    10 S   HC   HB12    12     1.09825   110.49089    62.49903
   13    10 S   CT   _CG1    13     1.53065   112.75688  -175.42196
   14    13 S   HC   HG11    14     1.09585   110.10253   -63.11479
   15    13 S   HC   HG12    15     1.09616   110.31825    55.98827
   16    13 S   C    _CD1    16     1.51775   112.03268   175.83148
   17    16 S   O    _OE1    17     1.22784   122.98517   -20.76532
   18    16 S   N    _N2_    18     1.38710   112.08787   160.50332
   19    18 S   H    _HN2    19     1.01587   119.24641    -0.50046
   20    18 S   CT1  _CA2    20     1.46092   123.00044  -179.53775
   21    20 S   HC   _HA2    21     1.09549   108.77519   -19.82436
   22    20 S   C    _C2_    22     1.53474   108.77513  -134.81985
   23    22 S   O    _O2_    23     1.23029   122.09002  -148.97402
   24    20 S   CT   _CB2    32     1.53735   112.29286   102.72334
   25    24 S   HC   HB21    33     1.09663   109.35182    64.82515
   26    24 S   HC   HB22    34     1.09583   110.76405  -178.10731
   27    22 S   N    _N3_    24     1.38481   113.47564    38.49445
   28    27 S   H    _HN3    25     1.01548   118.89396    -0.55426
   29    24 S   S    _SG2    35     1.82859   115.30129   -54.80589
   30    27 S   CT   _CA3    26     1.45456   123.51578   175.34730
   31    30 S   HC   HA31    27     1.09516   109.38150    21.98688
   32    30 S   HC   HA32    28     1.09501   107.10371   138.98561
   33    29 S   CT   _C17    36     1.82856   100.18546   -69.78238
   34    33 S   HC   _H23    37     1.09161   107.08754   -82.07785
   35    33 S   HC   _H24    38     1.09200   109.61352    35.02481
   36    30 S   CO3  _C3_    29     1.52891   112.93151  -101.59086
   37    36 S   O2Z  _O31    30     1.26409   115.29248   -47.78111
   38    36 S   O2Z  _O32    31     1.26333   115.06045   133.09446
   39    33 S   CT   _C12    39     1.53791   110.15340   154.98656
   40    39 S   HC   _H9_    40     1.09726   107.80663   -49.84881
   41    39 S   CT   _C11    41     1.54507   112.80188  -168.12897
   42    41 S   HC   _H8_    42     1.09753   110.00868    42.90611
   43    41 S   CT   _C15    43     1.53520   112.77281   -79.29963
   44    43 S   HC   _H12    44     1.09721   109.38096  -168.28807
   45    41 S   OS   _O37    61     1.43724   107.97523   163.14154
   46    43 S   CT   _C14    45     1.52973   112.00785   -46.29194
   47    46 S   HC   _H11    46     1.09572   111.66719   172.09197
   48    43 S   OH   _O39    59     1.42644   109.09737    74.79139
   49    48 S   HO   _H16    60     0.97303   107.82501   168.05922
   50    45 S   CO   _C8_    62     1.43117   113.54427   -93.94796
   51    50 S   HC   _H6_    63     1.09645   109.17644    47.34760
   52    46 S   CO   _C13    47     1.53426   111.25205    48.90129
   53    52 S   HC   _H10    48     1.09583   109.34703    66.76478
   54    46 S   NP   _N4_    55     1.49694   109.37260   -71.44918
   55    54 S   H    _H17    56     1.03164   111.21921    55.65013
   56    54 S   H    _H18    57     1.02812   112.01135   -64.26501
   57    54 S   H    _H19    58     1.02900   110.92017   175.01076
   58    50 S   CT   _C7_    64     1.53804   109.02965   165.53012
   59    58 S   HC   _H5_    65     1.09761   108.20250   -44.56231
   60    39 S   OS   _O38    49     1.43580   112.86481    65.26763
   61    52 S   OS   _O40    50     1.43518   107.71593  -176.55645
   62    58 S   CT   _C6_    66     1.53666   112.28058    75.81317
   63    62 S   HC   _H4_    67     1.09386   109.08804   168.78592
   64    58 S   OS   _O41    83     1.43046   107.36370  -163.66747
   65    61 S   CT   _C16    51     1.42231   112.17973  -171.45034
   66    65 S   HC   _H20    52     1.09331   108.23418   178.65754
   67    65 S   HC   _H21    53     1.09420   110.57518    59.88309
   68    65 S   HC   _H22    54     1.09393   110.74831   -62.56963
   69    62 S   CT   _C5_    68     1.53967   111.96766    46.58905
   70    69 S   HC   _H3_    69     1.09780   110.32763  -170.49213
   71    62 S   OH   _O45    81     1.43060   108.89636   -74.63819
   72    71 S   HO   _H25    82     0.97296   107.12130  -175.18005
   73    64 S   SY   _S1_    84     1.63739   120.28781   136.35884
   74    73 S   OY   _O44    85     1.46243   103.54693  -175.11024
   75    73 S   OY   _O42    86     1.46066   104.49328    64.81698
   76    73 S   OY   _O43    87     1.46225   104.57791   -55.93710
   77    69 S   CT   _C9_    70     1.53318   109.05160   -51.14569
   78    77 S   HC   _H7_    71     1.09841   109.49266   -60.46392
   79    69 S   OS   _O33    76     1.43336   110.52226    67.68218
   80    50 S   OS   _O34    72     1.43259   112.29225   -70.53442
   81    77 S   CO3  _C10    73     1.54075   116.01263  -178.15443
   82    81 S   O2Z  _O36    74     1.26324   116.19473    14.53533
   83    81 S   O2Z  _O35    75     1.26599   114.95282  -168.10831
   84    79 S   CT   _C4_    77     1.42017   113.49059    82.40939
   85    84 S   HC   _H13    78     1.09341   108.14207   177.78424
   86    84 S   HC   _H14    79     1.09414   110.53996    59.26100
   87    84 S   HC   _H15    80     1.09279   111.23890   -63.49587
  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   7   5   4   3
  10   5   4   2   1   1  13   6  15   7  15   7  11  12   9   3
   1  13   6  11   4   5   2   1   1  15   7   2   4  13   7   7
   3   2   1   1  14   7   3   1   3   2   1   1   7   5   6   3
   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    60  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    52    60    45  
   35    39    40    41    60  
   39    40    41    60  
   37    38  
   38  
    0  
   40    41    42    43    44    46    52    53    60    61    48    45    50  
   41    42    43    52    60    45  
   42    43    44    46    47    52    60    54    48    49    45    50    51    58    80  
   43    44    46    60    48    45    50  
   44    46    47    52    53    60    61    54    55    56    57    48    49    45    50  
   46    47    52    54    48    49    45  
   50    51    58    59    62    77    80    64    46    48    60  
   47    52    53    60    61    65    54    55    56    57    48    49  
   52    53    60    61    54    55    56    57    48  
   49    52    54  
    0  
   51    58    59    62    63    69    77    78    80    81    71    64    73  
   58    59    62    77    80    64  
   53    60    61    65    66    67    68    54    55    56    57  
   60    61    65    54  
   55    56    57    60    61  
   56    57  
   57  
    0  
   59    62    63    69    70    77    80    79    71    72    64    73    74    75    76  
   62    63    69    80    71    64    73  
   61    65  
   65    66    67    68  
   63    69    70    77    78    80    81    79    84    71    72    64    73  
   69    70    77    79    71    72    64  
   73    74    75    76    69    71    80  
   66    67    68  
   67    68  
   68  
    0  
   70    77    78    80    81    82    83    79    84    85    86    87    71    72  
   77    78    80    81    79    84    71  
   72    77    79  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    80    81    82    83    79    84  
   80    81    82    83    79  
   84    85    86    87    80    81  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   55   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   56   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   57   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   74   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   75   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   76   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    60   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    52   250.000  1.527
   46    54   367.000  1.471
   52    53   340.000  1.090
   52    60   320.000  1.380
   52    61   320.000  1.380
   61    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   54    55   434.000  1.010
   54    56   434.000  1.010
   54    57   434.000  1.010
   48    49   553.000  0.945
   45    50   320.000  1.380
   50    51   340.000  1.090
   50    58   250.000  1.527
   50    80   320.000  1.380
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    64   320.000  1.410
   62    63   340.000  1.090
   62    69   268.000  1.529
   62    71   320.000  1.410
   69    70   340.000  1.090
   69    77   268.000  1.529
   69    79   320.000  1.410
   77    78   340.000  1.090
   77    80   320.000  1.410
   77    81   317.000  1.522
   81    82   656.000  1.250
   81    83   656.000  1.250
   79    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   71    72   553.000  0.945
   64    73   335.000  1.682
   73    74   735.000  1.471
   73    75   735.000  1.471
   73    76   735.000  1.471
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    60    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    60    52    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    45    50    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    52    75.00000  109.43000
   43    46    54    80.00000  111.20000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    52    53    45.00000  112.01100
   46    52    60    90.00000  108.56700
   46    52    61    90.00000  108.56700
   46    54    55    35.00000  109.50000
   46    54    56    35.00000  109.50000
   46    54    57    35.00000  109.50000
   52    46    47    45.00000  108.72000
   52    61    65    60.00000  109.50000
   60    39    40    35.00000  109.50000
   60    39    41    50.00000  109.50000
   60    52    53    35.00000  109.50000
   61    52    53    35.00000  109.50000
   61    52    60    92.60000  111.55000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    52    80.00000  111.20000
   56    54    55    35.00000  109.50000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    58    90.00000  108.56700
   45    50    80    92.60000  111.55000
   50    58    59    45.00000  108.72000
   50    58    62    75.00000  109.43000
   50    58    64    90.00000  109.38000
   50    80    77    60.00000  109.50000
   58    50    51    45.00000  112.01100
   58    62    63    37.50000  110.70000
   58    62    69    58.35000  112.70000
   58    62    71    50.00000  109.50000
   58    64    73   100.00000  113.05000
   62    58    59    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    77    58.35000  112.70000
   62    69    79    50.00000  109.50000
   62    71    72    55.00000  108.50000
   69    62    63    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    80    50.00000  109.50000
   69    77    81    70.00000  109.69300
   69    79    84    60.00000  109.50000
   77    69    70    37.50000  110.70000
   77    81    82    70.00000  117.00000
   77    81    83    70.00000  117.00000
   80    50    51    35.00000  109.50000
   80    50    58    90.00000  108.56700
   80    77    78    35.00000  109.50000
   81    77    78    35.00000  109.50000
   81    77    80    85.00000  109.63000
   83    81    82    80.00000  126.00000
   79    69    70    35.00000  109.50000
   79    69    77    50.00000  109.50000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   71    62    63    35.00000  109.50000
   71    62    69    50.00000  109.50000
   64    58    59    35.00000  109.50000
   64    58    62    50.00000  109.50000
   64    73    74   135.00000  106.70400
   64    73    75   135.00000  106.70400
   64    73    76   135.00000  106.70400
   75    73    74   115.00000  120.17200
   76    73    74   115.00000  120.17200
   76    73    75   115.00000  120.17200
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    60   0.56750  1.0 1.0
   29    33    39    60  -0.07550 -1.0 2.0
   29    33    39    60   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    60    52   0.06250  1.0 1.0
   33    39    60    52  -0.01100 -1.0 2.0
   33    39    60    52   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    60   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    60   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    46   0.56750  1.0 1.0
   39    41    43    46  -0.07550 -1.0 2.0
   39    41    43    46   0.20000  1.0 3.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50   0.06250  1.0 1.0
   39    41    45    50  -0.01100 -1.0 2.0
   39    41    45    50   0.28050  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    60    52   0.37050  1.0 3.0
   41    39    60    52   0.06250  1.0 1.0
   41    39    60    52  -0.01100 -1.0 2.0
   41    39    60    52   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43   -46    52   3.97050  1.0 1.0
   41    43    46    54   1.36600  1.0 1.0
   41    43    46    54  -0.11450 -1.0 2.0
   41    43    46    54   0.24250  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.37050  1.0 3.0
   41    45    50    58   0.06250  1.0 1.0
   41    45    50    58  -0.01100 -1.0 2.0
   41    45    50    58   0.28050  1.0 3.0
   41    45    50    80  -0.53350  1.0 1.0
   41    45    50    80  -0.78350 -1.0 2.0
   41    45    50    80   0.33750  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.37050  1.0 3.0
   43    41    45    50   0.06250  1.0 1.0
   43    41    45    50  -0.01100 -1.0 2.0
   43    41    45    50   0.28050  1.0 3.0
   43    46    52    53   0.15000  1.0 3.0
   43    46    52    60   0.62750  1.0 1.0
   43    46    52    60  -0.30950 -1.0 2.0
   43    46    52    60   0.27300  1.0 3.0
   43    46    52    61   0.62750  1.0 1.0
   43    46    52    61  -0.30950 -1.0 2.0
   43    46    52    61   0.27300  1.0 3.0
   43    46    54    55   0.17350  1.0 3.0
   43    46    54    56   0.17350  1.0 3.0
   43    46    54    57   0.17350  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    52   0.15000  1.0 3.0
   44    43    46    54   0.19200  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    52   -60    39   0.06250  1.0 1.0
   46    52   -60    39  -0.01100 -1.0 2.0
   46    52   -60    39   0.28050  1.0 3.0
   46    52    61    65   0.06250  1.0 1.0
   46    52    61    65  -0.01100 -1.0 2.0
   46    52    61    65   0.28050  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    60   0.23400  1.0 3.0
   47    46    52    61   0.23400  1.0 3.0
   47    46    54    55   0.13050  1.0 3.0
   47    46    54    56   0.13050  1.0 3.0
   47    46    54    57   0.13050  1.0 3.0
   52    46    54    55   0.17350  1.0 3.0
   52    46    54    56   0.17350  1.0 3.0
   52    46    54    57   0.17350  1.0 3.0
   52    61    65    66   0.37050  1.0 3.0
   52    61    65    67   0.37050  1.0 3.0
   52    61    65    68   0.37050  1.0 3.0
   53    52    60    39   0.37050  1.0 3.0
   53    52    61    65   0.37050  1.0 3.0
   60    39    41    42   0.23400  1.0 3.0
   60    39   -41    43   0.62750  1.0 1.0
   60    39   -41    43  -0.30950 -1.0 2.0
   60    39   -41    43   0.27300  1.0 3.0
   60    39    41    45   1.11900  1.0 1.0
   60    39    41    45  -1.16350 -1.0 2.0
   60    39    41    45  -0.34150  1.0 3.0
   60    52    61    65  -0.53350  1.0 1.0
   60    52    61    65  -0.78350 -1.0 2.0
   60    52    61    65   0.33750  1.0 3.0
   61    52    60    39  -0.81800  1.0 1.0
   54    46    52    53   0.19200  1.0 3.0
   54    46    52    60   1.69300  1.0 1.0
   54    46    52    60  -0.48450 -1.0 2.0
   54    46    52    61   1.69300  1.0 1.0
   54    46    52    61  -0.48450 -1.0 2.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    52   0.86500  1.0 1.0
   48    43    46    52  -0.17500 -1.0 2.0
   48    43    46    52   0.20800  1.0 3.0
   48    43    46    54   1.69300  1.0 1.0
   48    43    46    54  -0.48450 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    50    58    59   0.23400  1.0 3.0
   45    50    58    62   0.62750  1.0 1.0
   45    50    58    62  -0.30950 -1.0 2.0
   45    50    58    62   0.27300  1.0 3.0
   45    50    58    64   1.11900  1.0 1.0
   45    50    58    64  -1.16350 -1.0 2.0
   45    50    58    64  -0.34150  1.0 3.0
   45    50    80    77  -0.81800  1.0 1.0
   50    58    62    63   0.15000  1.0 3.0
   50    58    62    69   3.97050  1.0 1.0
   50    58    62    71   0.86500  1.0 1.0
   50    58    62    71  -0.17500 -1.0 2.0
   50    58    62    71   0.20800  1.0 3.0
   50    58    64    73   0.37500  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    62   0.15000  1.0 3.0
   51    50    58    64   0.23400  1.0 3.0
   51    50    80    77   0.37050  1.0 3.0
   58    50    80    77   0.06250  1.0 1.0
   58    50    80    77  -0.01100 -1.0 2.0
   58    50    80    77   0.28050  1.0 3.0
   58    62    69    70   0.15000  1.0 3.0
   58    62   -69    77   0.56750  1.0 1.0
   58    62   -69    77  -0.07550 -1.0 2.0
   58    62   -69    77   0.20000  1.0 3.0
   58    62    69    79   0.62750  1.0 1.0
   58    62    69    79  -0.30950 -1.0 2.0
   58    62    69    79   0.27300  1.0 3.0
   58    62    71    72  -0.11600  1.0 1.0
   58    62    71    72  -0.09450 -1.0 2.0
   58    62    71    72   0.21250  1.0 3.0
   58    64    73    74   0.29800  1.0 3.0
   58    64    73    75   0.29800  1.0 3.0
   58    64    73    76   0.29800  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    69   0.15000  1.0 3.0
   59    58    62    71   0.23400  1.0 3.0
   59    58    64    73   0.00000  1.0 1.0
   62    58    64    73   0.37500  1.0 3.0
   62    69    77    78   0.15000  1.0 3.0
   62    69    77    80   0.62750  1.0 1.0
   62    69    77    80  -0.30950 -1.0 2.0
   62    69    77    80   0.27300  1.0 3.0
   62    69    77    81  -1.63150  1.0 1.0
   62    69    77    81  -0.43550 -1.0 2.0
   62    69    77    81   0.24500  1.0 3.0
   62    69    79    84   0.06250  1.0 1.0
   62    69    79    84  -0.01100 -1.0 2.0
   62    69    79    84   0.28050  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    77   0.15000  1.0 3.0
   63    62    69    79   0.23400  1.0 3.0
   63    62    71    72   0.19450  1.0 3.0
   69    62    71    72  -0.11600  1.0 1.0
   69    62    71    72  -0.09450 -1.0 2.0
   69    62    71    72   0.21250  1.0 3.0
   69    77   -80    50   0.06250  1.0 1.0
   69    77   -80    50  -0.01100 -1.0 2.0
   69    77   -80    50   0.28050  1.0 3.0
   69    77    81    82   0.41150 -1.0 2.0
   69    77    81    83   0.41150 -1.0 2.0
   69    79    84    85   0.37050  1.0 3.0
   69    79    84    86   0.37050  1.0 3.0
   69    79    84    87   0.37050  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    80   0.23400  1.0 3.0
   70    69    77    81  -0.11250  1.0 3.0
   70    69    79    84   0.37050  1.0 3.0
   77    69    79    84   0.06250  1.0 1.0
   77    69    79    84  -0.01100 -1.0 2.0
   77    69    79    84   0.28050  1.0 3.0
   78    77    80    50   0.37050  1.0 3.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   80    50    58    59   0.23400  1.0 3.0
   80    50   -58    62   0.62750  1.0 1.0
   80    50   -58    62  -0.30950 -1.0 2.0
   80    50   -58    62   0.27300  1.0 3.0
   80    50    58    64   1.11900  1.0 1.0
   80    50    58    64  -1.16350 -1.0 2.0
   80    50    58    64  -0.34150  1.0 3.0
   80    77    81    82   0.30150 -1.0 2.0
   80    77    81    83   0.30150 -1.0 2.0
   81    77    80    50  -1.11000  1.0 1.0
   81    77    80    50   0.50250 -1.0 2.0
   81    77    80    50   0.47450  1.0 3.0
   79    69    77    78   0.23400  1.0 3.0
   79    69    77    80   1.11900  1.0 1.0
   79    69    77    80  -1.16350 -1.0 2.0
   79    69    77    80  -0.34150  1.0 3.0
   79    69    77    81  -3.35100  1.0 1.0
   79    69    77    81  -0.37050 -1.0 2.0
   79    69    77    81   0.22400  1.0 3.0
   71    62    69    70   0.23400  1.0 3.0
   71    62    69    77   0.86500  1.0 1.0
   71    62    69    77  -0.17500 -1.0 2.0
   71    62    69    77   0.20800  1.0 3.0
   71    62    69    79   3.69350  1.0 1.0
   71    62    69    79  -1.82950 -1.0 2.0
   64    58    62    63   0.23400  1.0 3.0
   64    58    62    69   0.62750  1.0 1.0
   64    58    62    69  -0.30950 -1.0 2.0
   64    58    62    69   0.27300  1.0 3.0
   64    58    62    71   3.69350  1.0 1.0
   64    58    62    71  -1.82950 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   82    77    81    83  10.50000 -1.0 2.0
END
