* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    235     429
    1     0 S   NP   _N1_     1    28.42955    92.64933   -24.32411
    2     1 S   H    _HN1     2     1.02778   108.39529   -96.95040
    3     1 S   H    _H1_     3     1.02960    91.68584    13.02163
    4     1 S   H    _H2_     4     1.02837    16.49237   172.05567
    5     1 S   CT   _CA1     5     1.50141   123.34705   128.89855
    6     5 S   HC   _HA1     6     1.09578   105.20156    71.15278
    7     5 S   CO3  _C1_     7     1.53784   112.36888   -49.00857
    8     7 S   O2Z  _O11     8     1.26366   114.99233   -43.53470
    9     7 S   O2Z  _O12     9     1.26238   114.93300   135.51673
   10     5 S   CT   _CB1    10     1.53096   107.41106  -170.95639
   11    10 S   HC   HB11    11     1.09830   109.30136   -50.51325
   12    10 S   HC   HB12    12     1.09817   110.43501    66.03088
   13    10 S   CT   _CG1    13     1.53023   112.69575  -171.59244
   14    13 S   HC   HG11    14     1.09595   110.49702   -64.96141
   15    13 S   HC   HG12    15     1.09658   109.91555    54.24976
   16    13 S   C    _CD1    16     1.51840   112.29354   174.59274
   17    16 S   O    _OE1    17     1.22759   123.29561     0.98158
   18    16 S   N    _N2_    18     1.38570   111.74518  -179.09604
   19    18 S   H    _HN2    19     1.01572   119.07239     4.34429
   20    18 S   CT1  _CA2    20     1.45781   122.82012   177.38020
   21    20 S   HC   _HA2    21     1.09717   108.99416    21.26071
   22    20 S   C    _C2_    22     1.52889   106.67263   -95.85359
   23    22 S   O    _O2_    23     1.23002   122.88428   -29.35178
   24    20 S   CT   _CB2    32     1.53382   112.58665   144.33520
   25    24 S   HC   HB21    33     1.09592   110.08867    56.07852
   26    24 S   HC   HB22    34     1.09068   108.99282   173.59911
   27    22 S   N    _N3_    24     1.38475   112.77362   153.50275
   28    27 S   H    _HN3    25     1.01611   120.47873    -2.67210
   29    24 S   S    _SG2    35     1.82891   110.74564   -62.69541
   30    27 S   CT   _CA3    26     1.45373   122.27737   178.42803
   31    30 S   HC   HA31    27     1.09573   107.76238   -56.20456
   32    30 S   HC   HA32    28     1.09567   107.60548    60.07041
   33    29 S   CT   _C21    36     1.88790   104.82297  -135.59563
   34    30 S   CO3  _C3_    29     1.52843   114.49764  -178.13219
   35    34 S   O2Z  _O31    30     1.26307   116.09226    -0.34207
   36    34 S   O2Z  _O32    31     1.26430   114.41588   179.64392
   37    33 S   CA   _C12    37     1.54482   109.02776   -90.72320
   38    33 S   CO4  _C16    74     1.53507   111.01721    36.68276
   39    38 S   O    _O21    75     1.22743   124.47205  -121.49883
   40    37 S   CA   _C11    38     1.41818   120.85516  -105.72449
   41    40 S   CA   _C7_    39     1.41370   120.36875   179.37193
   42    41 S   HA   _H32    40     1.08945   119.16496   179.47437
   43    40 S   CT   _C18    52     1.51375   123.58445    -2.08638
   44    43 S   HC   _H34    53     1.09777   108.80249   139.78235
   45    41 S   CA   _C13    41     1.39448   121.81694    -0.48214
   46    43 S   CT   _C20    54     1.52544   113.93038    17.69022
   47    46 S   HC   _H36    55     1.09728   109.07091  -164.85536
   48    43 S   OH   _O24    78     1.42831   107.11804  -103.55410
   49    48 S   HO   _H43    79     0.97249   107.45562  -172.16917
   50    45 S   CA   _C8_    42     1.39123   118.33879    -0.89962
   51    50 S   HA   _H33    43     1.08765   119.37159  -178.65157
   52    45 S   CT   _C23    47     1.49967   120.82946  -178.95096
   53    52 S   HC   _H40    48     1.09543   110.76216  -148.07544
   54    52 S   HC   _H41    49     1.09538   110.96544   -28.30554
   55    33 S   CT   _C19    56     1.55946   109.37593   147.71235
   56    55 S   HC   _H35    57     1.10389   108.48861  -166.91248
   57    46 S   OH   _O25    76     1.42268   108.77975    79.08481
   58    57 S   HO   _H44    77     0.97342   107.48875  -179.33090
   59    37 S   CA   _C15    44     1.41354   122.60186    71.94490
   60    52 S   OH   _O26    50     1.41925   109.02355    91.83266
   61    60 S   HO   _H45    51     0.97219   107.03077  -179.78694
   62    55 S   CO4  _C17    58     1.52894   111.61044   -53.19748
   63    62 S   O    _O22    59     1.22591   121.93821   136.07863
   64    59 S   OH   _O23    45     1.36960   120.29797     0.61198
   65    64 S   HO   _H42    46     0.97186   109.50495   177.06835
   66    62 S   CA   _C10    60     1.49536   116.23139   -45.41781
   67    66 S   CA   _C9_    61     1.40514   118.19632     9.12346
   68    67 S   CA   _C5_    62     1.39683   120.54621  -178.18771
   69    68 S   HA   _H30    63     1.08724   121.32684  -179.87028
   70    68 S   CA   _C4_    64     1.39010   119.67650    -1.05999
   71    70 S   HA   _H29    65     1.08704   119.82112  -179.35654
   72    70 S   CA   _C6_    66     1.39549   120.28294     0.27625
   73    72 S   HA   _H31    67     1.08590   117.26965  -179.98022
   74    66 S   CA   _C14    68     1.40985   122.07983  -170.24148
   75    74 S   OS   _O27    69     1.37028   117.51059    -0.51813
   76    75 S   CT   _C22    70     1.42203   117.95639  -177.07263
   77    76 S   HC   _H37    71     1.09430   107.71638   177.98045
   78    76 S   HC   _H38    72     1.09498   111.21566    60.26355
   79    76 S   HC   _H39    73     1.09484   111.08518   -64.38409
  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  11   5   4   3
  19   2   1   1  19  13   4  15  13   4  12   6   9  10   6   3
   1   8   3   5   3   2   9   4   2   1   2   1   1   7   3   1
   1   9   7   6   3   5   3   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    59    46    55    56    62    67    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    50    59    64    43    46    47    55    56    62    63    66    67    68    38    39    57  
   35    36  
   36  
    0  
   40    41    42    45    50    51    59    64    65    43    44    46    55    56    62    67    38    39    48  
   39    40    46    55    56    59    62    66    67    68    69    70    74  
   55    66    67    68  
   41    42    45    50    59    64    52    43    44    46    47    55    57    48    49  
   42    45    50    51    59    52    53    54    60    43    44    46    48  
   45    50    52    43  
   44    46    47    55    56    62    57    58    48    49    45    59  
   46    47    55    57    48    49  
   50    51    59    64    52    53    54    60    61  
   47    55    56    62    63    66    57    58    48    49  
   55    56    62    57    58    48  
   49    55    57  
    0  
   51    59    64    65    52    53    54    60  
   59    64    52  
   53    54    60    61    59  
   54    60    61  
   60    61  
   56    62    63    66    67    74    57    58    59  
   62    63    66    57  
   58    62  
    0  
   64    65  
   61  
    0  
   63    66    67    68    72    74    75  
   66    67    74  
   65  
    0  
   67    68    69    70    72    73    74    75    76  
   68    69    70    71    72    74    75  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75    76  
   74    75  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   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    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   317.000  1.510
   33    55   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    59   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   317.000  1.510
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    64   450.000  1.364
   64    65   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   320.000  1.410
   60    61   553.000  0.945
   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    55   268.000  1.529
   46    57   320.000  1.410
   55    56   340.000  1.090
   55    62   317.000  1.522
   62    63   570.000  1.229
   62    66   310.000  1.470
   66    67   469.000  1.400
   66    74   469.000  1.400
   67    68   469.000  1.400
   67    38   310.000  1.470
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   450.000  1.364
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   38    39   570.000  1.229
   57    58   553.000  0.945
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    80.00000  109.48900
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    59    70.00000  120.00000
   33    55    46    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    63.00000  111.10000
   33    38    67    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    59    50    63.00000  120.00000
   37    59    64    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   41    45    50    63.00000  120.00000
   41    45    52    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    59    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    60    90.00000  112.51600
   50    59    64    70.00000  120.00000
   59    37    40    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    64    65    35.00000  113.00000
   52    45    50    70.00000  120.00000
   52    60    61    55.00000  108.50000
   54    52    53    33.00000  107.80000
   60    52    53    35.00000  109.50000
   60    52    54    35.00000  109.50000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    46    57    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    62    63.00000  111.10000
   46    57    58    55.00000  108.50000
   55    33    37    70.00000  112.17500
   55    46    47    37.50000  110.70000
   55    62    63    80.00000  120.40000
   55    62    66    65.00000  115.47100
   62    55    56    35.00000  109.50000
   62    66    67    60.00000  119.52600
   62    66    74    60.00000  119.52600
   66    62    63    75.00000  123.78400
   66    67    68    63.00000  120.00000
   66    67    38    60.00000  119.52600
   66    74    72    63.00000  120.00000
   66    74    75    70.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    38    39    75.00000  123.78400
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    70.00000  120.00000
   74    66    67    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    75.00000  111.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   38    33    37    70.00000  110.93000
   38    33    55    63.00000  111.10000
   38    67    68    60.00000  119.52600
   57    46    47    35.00000  109.50000
   57    46    55    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    59  -0.16000  1.0 1.0
   29    33    37    59  -0.03200 -1.0 2.0
   29    33    37    59   0.04500  1.0 3.0
   29    33    55    46   0.44750  1.0 1.0
   29    33    55    46  -0.17800 -1.0 2.0
   29    33    55    46   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    62   0.56750  1.0 1.0
   29    33    55    62  -0.07550 -1.0 2.0
   29    33    55    62   0.20000  1.0 3.0
   29    33    38    67   0.65300  1.0 1.0
   29    33    38    67  -0.03850 -1.0 2.0
   29    33    38    67   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    59    50   3.62500 -1.0 2.0
   33    37    59    64   3.62500 -1.0 2.0
   33    55    62    63   0.30150 -1.0 2.0
   33    55    62    66   0.05850 -1.0 2.0
   33    55    62    66   0.17250  1.0 3.0
   37    33    55    46  -0.03700  1.0 1.0
   37    33    55    46   0.37200 -1.0 2.0
   37    33    55    46  -0.47300  1.0 3.0
   37    33    55    56   0.43200  1.0 3.0
   37    33    55    62   0.56750  1.0 1.0
   37    33    55    62  -0.07550 -1.0 2.0
   37    33    55    62   0.20000  1.0 3.0
   37    33    38    67   0.65300  1.0 1.0
   37    33    38    67  -0.03850 -1.0 2.0
   37    33    38    67   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48   0.14300 -1.0 2.0
   37    40    43    48   0.00300  1.0 3.0
   37    59    64    65   0.84100 -1.0 2.0
   40    37    59    50   3.62500 -1.0 2.0
   40    37    59    64   3.62500 -1.0 2.0
   40    41   -45    50   3.62500 -1.0 2.0
   40    41    45    52   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    55  -0.03700  1.0 1.0
   40    43    46    55   0.37200 -1.0 2.0
   40    43    46    55  -0.47300  1.0 3.0
   40    43    46    57   1.13150  1.0 1.0
   40    43    46    57  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48   0.14300 -1.0 2.0
   41    40    43    48   0.00300  1.0 3.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    59   3.62500 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    54   0.00000  1.0 1.0
   41    45    52    60   0.14300 -1.0 2.0
   41    45    52    60   0.00300  1.0 3.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50   -59    37   3.62500 -1.0 2.0
   45    50    59    64   3.62500 -1.0 2.0
   45    52    60    61   0.31900  1.0 1.0
   45    52    60    61  -0.11800 -1.0 2.0
   45    52    60    61   0.38750  1.0 3.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    54   0.00000  1.0 1.0
   50    45    52    60   0.14300 -1.0 2.0
   50    45    52    60   0.00300  1.0 3.0
   50    59    64    65   0.84100 -1.0 2.0
   51    50    59    37   3.62500 -1.0 2.0
   51    50    59    64   3.62500 -1.0 2.0
   59    37   -40    41   3.62500 -1.0 2.0
   59    37    40    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    59   3.62500 -1.0 2.0
   53    52    60    61   0.19450  1.0 3.0
   54    52    60    61   0.19450  1.0 3.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -55    33   0.56750  1.0 1.0
   43    46   -55    33  -0.07550 -1.0 2.0
   43    46   -55    33   0.20000  1.0 3.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    62  -0.95700  1.0 1.0
   43    46    55    62  -0.18200 -1.0 2.0
   43    46    55    62   0.29450  1.0 3.0
   43    46    57    58  -0.11600  1.0 1.0
   43    46    57    58  -0.09450 -1.0 2.0
   43    46    57    58   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    55   0.15000  1.0 3.0
   44    43    46    57   0.23400  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    55    62    63   0.30150 -1.0 2.0
   46    55    62    66   0.05850 -1.0 2.0
   46    55    62    66   0.17250  1.0 3.0
   47    46    55    33   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    62  -0.11250  1.0 3.0
   47    46    57    58   0.19450  1.0 3.0
   55    33   -37    40   0.04150 -1.0 2.0
   55    33    37    59   0.04150 -1.0 2.0
   55    33    38    67   0.05850 -1.0 2.0
   55    33    38    67   0.17250  1.0 3.0
   55    33    38    39   0.30150 -1.0 2.0
   55    46    57    58  -0.11600  1.0 1.0
   55    46    57    58  -0.09450 -1.0 2.0
   55    46    57    58   0.21250  1.0 3.0
   55    62   -66    67   2.26350  1.0 1.0
   55    62   -66    67   0.76750 -1.0 2.0
   55    62   -66    67   0.22500  1.0 3.0
   55    62    66    74   2.26350  1.0 1.0
   55    62    66    74   0.76750 -1.0 2.0
   55    62    66    74   0.22500  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    66   0.00000  1.0 1.0
   62    66    67    68   3.62500 -1.0 2.0
   62    66    67    38   3.62500 -1.0 2.0
   62    66    74    72   3.62500 -1.0 2.0
   62    66    74    75   3.62500 -1.0 2.0
   63    62    66    67   1.05000 -1.0 2.0
   63    62    66    74   1.05000 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    68    70   3.62500 -1.0 2.0
   66    67   -38    33   2.26350  1.0 1.0
   66    67   -38    33   0.76750 -1.0 2.0
   66    67   -38    33   0.22500  1.0 3.0
   66    67    38    39   1.05000 -1.0 2.0
   66    74    75    76   1.63200 -1.0 2.0
   67    66    74    72   3.62500 -1.0 2.0
   67    66    74    75   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68   -70    72   3.62500 -1.0 2.0
   68    67    38    33   2.26350  1.0 1.0
   68    67    38    33   0.76750 -1.0 2.0
   68    67    38    33   0.22500  1.0 3.0
   68    67    38    39   1.05000 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    66   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   1.63200 -1.0 2.0
   73    72    74    66   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    66   -67    68   3.62500 -1.0 2.0
   74    66    67    38   3.62500 -1.0 2.0
   74    75    76    77   0.08050  1.0 3.0
   74    75    76    78   0.08050  1.0 3.0
   74    75    76    79   0.08050  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    59   0.04300 -1.0 2.0
   38    33    55    46  -0.95700  1.0 1.0
   38    33    55    46  -0.18200 -1.0 2.0
   38    33    55    46   0.29450  1.0 3.0
   38    33    55    56  -0.11250  1.0 3.0
   38    33   -55    62   0.11950  1.0 1.0
   38    33   -55    62   0.20300 -1.0 2.0
   38    33   -55    62  -0.70800  1.0 3.0
   38    67    68    69   3.62500 -1.0 2.0
   38    67    68    70   3.62500 -1.0 2.0
   57    46    55    33   0.86500  1.0 1.0
   57    46    55    33  -0.17500 -1.0 2.0
   57    46    55    33   0.20800  1.0 3.0
   57    46    55    56   0.23400  1.0 3.0
   57    46    55    62  -0.09450  1.0 1.0
   57    46    55    62  -1.12950 -1.0 2.0
   57    46    55    62   0.54000  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    55   0.86500  1.0 1.0
   48    43    46    55  -0.17500 -1.0 2.0
   48    43    46    55   0.20800  1.0 3.0
   48    43    46    57   3.75450  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   40    59    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   59    51    50    45   1.10000 -1.0 2.0
   50    64    59    37   4.00000 -1.0 2.0
   55    66    62    63  10.50000 -1.0 2.0
   67    74    66    62   4.00000 -1.0 2.0
   68    38    67    66   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    66   4.00000 -1.0 2.0
   33    67    38    39  10.50000 -1.0 2.0
END
