* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    238     447
    1     0 S   NP   _N1_     1    30.27190    90.74017   -24.97319
    2     1 S   H    _HN1     2     1.03153   112.83840    20.21671
    3     1 S   H    _H1_     3     1.02791     5.63486    30.32682
    4     1 S   H    _H2_     4     1.02769   104.75497   -96.78163
    5     1 S   CT   _CA1     5     1.50274   108.90653   143.14611
    6     5 S   HC   _HA1     6     1.09558   105.30045    58.12941
    7     5 S   CO3  _C1_     7     1.53796   112.54820   -62.09210
    8     7 S   O2Z  _O11     8     1.26353   115.14510   -39.36347
    9     7 S   O2Z  _O12     9     1.26260   114.92225   139.72929
   10     5 S   CT   _CB1    10     1.52870   106.88139   176.06886
   11    10 S   HC   HB11    11     1.09834   109.16278   -49.62880
   12    10 S   HC   HB12    12     1.09738   110.11410    66.56083
   13    10 S   CT   _CG1    13     1.52998   113.77478  -171.43136
   14    13 S   HC   HG11    14     1.09521   110.37666   -59.65471
   15    13 S   HC   HG12    15     1.09551   110.65931    60.12397
   16    13 S   C    _CD1    16     1.51704   110.42202   179.67615
   17    16 S   O    _OE1    17     1.22832   122.63442   -26.82570
   18    16 S   N    _N2_    18     1.38497   112.77350   153.74606
   19    18 S   H    _HN2    19     1.01563   119.46065     5.80920
   20    18 S   CT1  _CA2    20     1.46028   122.60913  -175.08737
   21    20 S   HC   _HA2    21     1.09669   108.98530     7.92870
   22    20 S   C    _C2_    22     1.53539   110.21908  -107.83264
   23    22 S   O    _O2_    23     1.23128   121.86096  -152.98345
   24    20 S   CT   _CB2    32     1.53492   111.89639   129.05898
   25    24 S   HC   HB21    33     1.09665   109.56114    70.67325
   26    24 S   HC   HB22    34     1.09596   110.37286  -172.51769
   27    22 S   N    _N3_    24     1.38201   114.22835    34.36159
   28    27 S   H    _HN3    25     1.01573   119.70803    -3.36999
   29    24 S   S    _SG2    35     1.82963   115.92293   -49.28123
   30    27 S   CT   _CA3    26     1.45313   123.01766   176.92948
   31    30 S   HC   HA31    27     1.09555   107.49824   -64.19201
   32    30 S   HC   HA32    28     1.09562   107.95841    52.18983
   33    29 S   CT   _C20    36     1.82809   100.64666   -56.88199
   34    33 S   HC   _H3_    37     1.09513   108.94266   -48.86754
   35    33 S   HC   _H4_    38     1.09086   107.53801    68.74312
   36    30 S   CO3  _C3_    29     1.52916   114.23861   174.20556
   37    36 S   O2Z  _O31    30     1.26346   116.09443    -0.69914
   38    36 S   O2Z  _O32    31     1.26442   114.39368   179.37725
   39    33 S   CT   _C11    39     1.53204   110.01073  -170.90500
   40    39 S   HC   _H29    40     1.09271   111.81630   -35.28947
   41    39 S   CO4  _C7_    41     1.51775   111.81579    86.39894
   42    41 S   O    _O19    42     1.22086   126.45233   -42.10285
   43    41 S   OS   _O21    43     1.37161   109.69682   138.21116
   44    43 S   CT   _C14    44     1.44923   109.98869     7.82915
   45    44 S   HC   _H32    45     1.09532   107.61722  -146.71873
   46    44 S   CT   _C9_    46     1.53595   105.42109    95.26609
   47    46 S   HC   _H26    47     1.09995   107.83382    45.54885
   48    46 S   HC   _H27    48     1.09455   109.68672   -64.72523
   49    39 S   CT   _C12    62     1.53392   113.19221  -161.44697
   50    49 S   HC   _H30    63     1.10297   105.12424   -45.43294
   51    46 S   CT   _C13    49     1.54115   117.77024   169.12637
   52    51 S   HC   _H31    50     1.09854   107.62774   151.28506
   53    51 S   CT   _C10    51     1.53658   113.76376    29.96571
   54    53 S   HC   _H28    52     1.09971   106.79846   -73.24051
   55    51 S   CT   _C18    75     1.54007   108.85065   -93.94092
   56    55 S   HC   _H37    76     1.09534   111.21779    64.29541
   57    55 S   HC   _H38    77     1.09568   110.78002   -55.73610
   58    55 S   HC   _H39    78     1.09377   111.75340  -174.71146
   59    53 S   CM   _C5_    53     1.50859   115.44691   171.00060
   60    59 S   HC   _H25    54     1.08192   123.21023    40.52132
   61    59 S   CM   _C4_    55     1.33378   114.55691  -145.41184
   62    61 S   HC   _H24    56     1.07519   128.76290  -175.67709
   63    61 S   CO4  _C6_    57     1.47024   105.47204     4.22726
   64    63 S   O    _O18    58     1.22262   122.27601  -171.70530
   65    53 S   CT   _C16    59     1.55284   115.89011    49.81176
   66    65 S   CT   _C15    60     1.54388   111.99088   -93.07529
   67    66 S   HC   _H33    61     1.09662   108.09633  -172.97007
   68    65 S   CT   _C19    71     1.53963   116.05490    38.71188
   69    68 S   HC   _H40    72     1.08656   114.04800   -64.96696
   70    68 S   HC   _H41    73     1.09628   110.40138   174.84011
   71    68 S   HC   _H42    74     1.09677   111.75494    56.22632
   72    66 S   OS   _O22    64     1.46285   106.48105   -57.84880
   73    72 S   CO4  _C8_    65     1.36245   118.21520  -148.48236
   74    73 S   O    _O20    66     1.22247   126.38623    -2.45304
   75    73 S   CT   _C17    67     1.49797   109.45666   178.06842
   76    75 S   HC   _H34    68     1.09299   109.82193   -59.51352
   77    75 S   HC   _H35    69     1.09375   109.36596  -178.46532
   78    75 S   HC   _H36    70     1.09283   109.80621    62.37448
  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
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
  10   4  14   8  19   8   5   2   1   1   8   4   6   3   9   3
   8   9   3   4   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    66    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    66    67    49    50    72  
   41    42    43    44    66    49    50  
   42    43    44    45    46    66    49    50  
   43    44    49  
   44    45    46    47    48    51    66    49    50  
   45    46    47    48    51    52    53    65    66    67    49    50    72    55  
   46    47    48    51    66    49    50  
   47    48    51    52    53    54    59    65    66    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    72    73    68    51    53    63    65    66    67  
   72    65    66    67  
   52    53    54    59    60    61    63    65    66    68    55    56    57    58  
   53    54    59    65    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    72    68    69    70    71    55    56    57    58  
   59    60    61    63    65    66    68    55  
   56    57    58    59    65  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    68  
   61    62    63    65  
   62    63    64    65    66    68  
   63    64    65  
   64    65    66    67    72    68    69    70    71  
   65    66    68  
   66    67    72    73    68    69    70    71  
   67    72    73    74    75    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   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   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   317.000  1.510
   53    65   268.000  1.529
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   340.000  1.080
   61    63   320.000  1.462
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    49   268.000  1.529
   66    72   320.000  1.410
   49    50   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    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    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    66    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    66    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    70.00000  112.02700
   51    53    65    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    35.00000  117.00000
   53    59    61    70.00000  124.00000
   53    65    63    63.00000  111.10000
   53    65    66    58.35000  112.70000
   53    65    68    58.35000  112.70000
   59    53    54    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    63    65.00000  118.96000
   61    59    60    35.00000  120.00000
   61    63    64    80.00000  123.72100
   61    63    65    65.00000  118.62400
   63    61    62    40.00000  117.72500
   63    65    66    63.00000  111.10000
   63    65    68    63.00000  111.10000
   65    53    54    37.50000  110.70000
   65    53    59    70.00000  112.02700
   65    63    64    80.00000  120.40000
   65    66    67    37.50000  110.70000
   65    66    49    58.35000  112.70000
   65    66    72    50.00000  109.50000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    49    50    37.50000  110.70000
   66    72    73    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    66    67    37.50000  110.70000
   72    66    67    35.00000  109.50000
   72    66    49    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    65    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    66   0.56750  1.0 1.0
   33    39    49    66  -0.07550 -1.0 2.0
   33    39    49    66   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    66   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    66  -0.95700  1.0 1.0
   41    39    49    66  -0.18200 -1.0 2.0
   41    39    49    66   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    66   0.62750  1.0 1.0
   43    44    49    66  -0.30950 -1.0 2.0
   43    44    49    66   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    66   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    66   0.56750  1.0 1.0
   46    44    49    66  -0.07550 -1.0 2.0
   46    44    49    66   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.34400  1.0 1.0
   46    51    53    59   0.09450 -1.0 2.0
   46    51    53    59   0.11100  1.0 3.0
   46    51    53    65   0.56750  1.0 1.0
   46    51    53    65  -0.07550 -1.0 2.0
   46    51    53    65   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  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    55   0.15000  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    55   0.15000  1.0 3.0
   51    53    59    60   0.00000  1.0 1.0
   51    53    59    61   0.09850  1.0 1.0
   51    53    59    61   0.15250 -1.0 2.0
   51    53    59    61  -0.50650  1.0 3.0
   51    53    65    63  -0.95700  1.0 1.0
   51    53    65    63  -0.18200 -1.0 2.0
   51    53    65    63   0.29450  1.0 3.0
   51    53    65    66   0.56750  1.0 1.0
   51    53    65    66  -0.07550 -1.0 2.0
   51    53    65    66   0.20000  1.0 3.0
   51    53    65    68   0.56750  1.0 1.0
   51    53    65    68  -0.07550 -1.0 2.0
   51    53    65    68   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    65   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    61    62   7.00000 -1.0 2.0
   53    59   -61    63   7.00000 -1.0 2.0
   53    65    66    67   0.15000  1.0 3.0
   53    65    66    49   0.56750  1.0 1.0
   53    65    66    49  -0.07550 -1.0 2.0
   53    65    66    49   0.20000  1.0 3.0
   53    65    66    72   0.62750  1.0 1.0
   53    65    66    72  -0.30950 -1.0 2.0
   53    65    66    72   0.27300  1.0 3.0
   53    65    68    69   0.15000  1.0 3.0
   53    65    68    70   0.15000  1.0 3.0
   53    65    68    71   0.15000  1.0 3.0
   54    53    59    60   0.33100  1.0 3.0
   54    53    59    61   0.00000  1.0 1.0
   54    53    65    63  -0.11250  1.0 3.0
   54    53    65    66   0.15000  1.0 3.0
   54    53    65    68   0.15000  1.0 3.0
   59    53   -65    63  -0.98800  1.0 1.0
   59    53   -65    63   0.48800 -1.0 2.0
   59    53   -65    63   0.76800  1.0 3.0
   59    53    65    66   0.34400  1.0 1.0
   59    53    65    66   0.09450 -1.0 2.0
   59    53    65    66   0.11100  1.0 3.0
   59    53    65    68   0.34400  1.0 1.0
   59    53    65    68   0.09450 -1.0 2.0
   59    53    65    68   0.11100  1.0 3.0
   59    61    63    64   1.00000 -1.0 2.0
   59    61   -63    65  -0.33500  1.0 1.0
   59    61   -63    65   1.06600 -1.0 2.0
   59    61   -63    65  -0.14000  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    63   7.00000 -1.0 2.0
   61    63   -65    53   0.65300  1.0 1.0
   61    63   -65    53  -0.03850 -1.0 2.0
   61    63   -65    53   0.33900  1.0 3.0
   61    63    65    66   0.65300  1.0 1.0
   61    63    65    66  -0.03850 -1.0 2.0
   61    63    65    66   0.33900  1.0 3.0
   61    63    65    68   0.65300  1.0 1.0
   61    63    65    68  -0.03850 -1.0 2.0
   61    63    65    68   0.33900  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.04550  1.0 1.0
   62    61    63    65   0.83000 -1.0 2.0
   62    61    63    65  -0.04000  1.0 3.0
   63    65    66    67  -0.11250  1.0 3.0
   63    65    66    49  -0.95700  1.0 1.0
   63    65    66    49  -0.18200 -1.0 2.0
   63    65    66    49   0.29450  1.0 3.0
   63    65    66    72  -0.09450  1.0 1.0
   63    65    66    72  -1.12950 -1.0 2.0
   63    65    66    72   0.54000  1.0 3.0
   63    65    68    69  -0.11250  1.0 3.0
   63    65    68    70  -0.11250  1.0 3.0
   63    65    68    71  -0.11250  1.0 3.0
   64    63    65    53   0.30150 -1.0 2.0
   64    63    65    66   0.30150 -1.0 2.0
   64    63    65    68   0.30150 -1.0 2.0
   65    53    59    60   0.00000  1.0 1.0
   65    53   -59    61   0.09850  1.0 1.0
   65    53   -59    61   0.15250 -1.0 2.0
   65    53   -59    61  -0.50650  1.0 3.0
   65    66    49    39   0.56750  1.0 1.0
   65    66    49    39  -0.07550 -1.0 2.0
   65    66    49    39   0.20000  1.0 3.0
   65    66    49    44   0.56750  1.0 1.0
   65    66    49    44  -0.07550 -1.0 2.0
   65    66    49    44   0.20000  1.0 3.0
   65    66    49    50   0.15000  1.0 3.0
   65    66    72    73  -0.25900  1.0 1.0
   65    66    72    73  -0.47000 -1.0 2.0
   65    66    72    73   0.11750  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   66    72    73    74   3.00000 -1.0 2.0
   66    72    73    75   1.63150  1.0 1.0
   66    72    73    75   2.92000 -1.0 2.0
   67    66    49    39   0.15000  1.0 3.0
   67    66    49    44   0.15000  1.0 3.0
   67    66    49    50   0.15000  1.0 3.0
   67    66    72    73   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   49    66    72    73  -0.25900  1.0 1.0
   49    66    72    73  -0.47000 -1.0 2.0
   49    66    72    73   0.11750  1.0 3.0
   72    66    49    39   0.62750  1.0 1.0
   72    66    49    39  -0.30950 -1.0 2.0
   72    66    49    39   0.27300  1.0 3.0
   72    66    49    44   0.62750  1.0 1.0
   72    66    49    44  -0.30950 -1.0 2.0
   72    66    49    44   0.27300  1.0 3.0
   72    66    49    50   0.23400  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    49   0.56750  1.0 1.0
   68    65    66    49  -0.07550 -1.0 2.0
   68    65    66    49   0.20000  1.0 3.0
   68    65    66    72   0.62750  1.0 1.0
   68    65    66    72  -0.30950 -1.0 2.0
   68    65    66    72   0.27300  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.34400  1.0 1.0
   55    51    53    59   0.09450 -1.0 2.0
   55    51    53    59   0.11100  1.0 3.0
   55    51    53    65   0.56750  1.0 1.0
   55    51    53    65  -0.07550 -1.0 2.0
   55    51    53    65   0.20000  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    60    59    61   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
