* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    155    258     470
    1     0 S   NP   _N1_     1    32.06168    94.56913   -30.14438
    2     1 S   H    _HN1     2     1.02789    82.60906  -179.82641
    3     1 S   H    _H1_     3     1.02950   153.93140   -62.56745
    4     1 S   H    _H2_     4     1.02830    46.95544   -56.81260
    5     1 S   CT   _CA1     5     1.50111    85.58360    67.10609
    6     5 S   HC   _HA1     6     1.09573   105.19221    18.80067
    7     5 S   CO3  _C1_     7     1.53786   112.48466  -101.44164
    8     7 S   O2Z  _O11     8     1.26373   115.00726   -42.31004
    9     7 S   O2Z  _O12     9     1.26242   114.94676   136.84610
   10     5 S   CT   _CB1    10     1.53084   107.42734   136.79311
   11    10 S   HC   HB11    11     1.09834   109.37526   -49.63360
   12    10 S   HC   HB12    12     1.09812   110.44997    66.98001
   13    10 S   CT   _CG1    13     1.52995   112.59984  -170.60206
   14    13 S   HC   HG11    14     1.09579   110.65034   -65.88859
   15    13 S   HC   HG12    15     1.09673   109.76179    53.33968
   16    13 S   C    _CD1    16     1.51803   112.21237   173.80672
   17    16 S   O    _OE1    17     1.22732   123.29033     7.98188
   18    16 S   N    _N2_    18     1.38664   111.69269  -172.15570
   19    18 S   H    _HN2    19     1.01590   118.91440     1.69662
   20    18 S   CT1  _CA2    20     1.46192   123.38572   177.00468
   21    20 S   HC   _HA2    21     1.09736   109.37732     3.17157
   22    20 S   C    _C2_    22     1.53578   108.59464  -112.30979
   23    22 S   O    _O2_    23     1.23061   122.27696  -147.85196
   24    20 S   CT   _CB2    32     1.53227   111.62196   125.25319
   25    24 S   HC   HB21    33     1.09682   110.21968    56.31445
   26    24 S   HC   HB22    34     1.09611   110.24295   174.92673
   27    22 S   N    _N3_    24     1.38320   113.71512    39.57252
   28    27 S   H    _HN3    25     1.01581   119.59765    -3.22610
   29    24 S   S    _SG2    35     1.82563   111.77584   -64.94306
   30    27 S   CT   _CA3    26     1.45291   123.23789   177.20187
   31    30 S   HC   HA31    27     1.09551   107.51097   -64.81086
   32    30 S   HC   HA32    28     1.09558   107.99692    51.64433
   33    29 S   CZ   _C23    36     1.69020    98.24045   179.66780
   34    30 S   CO3  _C3_    29     1.52966   114.04561   173.64479
   35    34 S   O2Z  _O31    30     1.26382   116.05798    -0.44675
   36    34 S   O2Z  _O32    31     1.26423   114.42194   179.61134
   37    33 S   CZ   _C22    37     1.20058   178.29912     1.62486
   38    37 S   CT   _C21    38     1.47729   178.81287    10.59400
   39    38 S   CT   _C20    39     1.55212   110.13205    89.38515
   40    39 S   HC   _H22    40     1.09685   111.41935   141.24865
   41    39 S   HC   _H23    41     1.09673   112.19794    22.05343
   42    38 S   OH   _O33    79     1.42135   108.36482  -149.78290
   43    42 S   HO   _H24    80     0.97266   107.86946   -63.34447
   44    39 S   CT   _C19    42     1.54295   106.76989   -99.02382
   45    44 S   HC   _H20    43     1.09498   111.09263   126.82517
   46    44 S   HC   _H21    44     1.09582   110.24626  -114.08741
   47    44 S   CT   _C18    45     1.52696   104.80385     6.05660
   48    47 S   HC   _H5_    46     1.10173   106.26210    82.20553
   49    47 S   CT   _C17    47     1.53046   118.74659  -158.16004
   50    49 S   HC   _H4_    48     1.09748   109.53727    62.05115
   51    49 S   CT   _C16    49     1.53045   112.43386   -57.23384
   52    51 S   HC   _H18    50     1.09563   111.30237    53.41967
   53    51 S   HC   _H19    51     1.09773   110.05148   -64.90849
   54    49 S   CT   _C8_    64     1.55841   108.91947  -178.06488
   55    54 S   HC   _H3_    65     1.10122   107.56476    61.93142
   56    51 S   CT   _C15    52     1.52545   109.83182   173.94722
   57    56 S   HC   _H16    53     1.09763   108.99909   -75.25413
   58    56 S   HC   _H17    54     1.09681   108.58586   167.99682
   59    54 S   CT   _C7_    66     1.55161   111.12238   -54.04077
   60    59 S   HC   _H11    67     1.09636   109.93462   -72.77953
   61    59 S   HC   _H12    68     1.09620   110.19628   170.75686
   62    56 S   CA   _C14    55     1.50948   114.01007    45.25418
   63    59 S   CT   _C6_    69     1.54131   113.38116    51.10336
   64    63 S   HC   _H9_    70     1.09620   107.13735    69.56068
   65    63 S   HC   _H10    71     1.09666   109.63570  -175.47914
   66    62 S   CA   _C13    56     1.40639   117.68135   167.45800
   67    66 S   HA   _H15    57     1.08741   119.66050    -0.93899
   68    38 S   CT   _C5_    72     1.56000   113.55226   -25.24788
   69    66 S   CA   _C12    58     1.39080   120.27040   179.21316
   70    68 S   CT   _C4_    73     1.55797   109.30595  -162.74200
   71    70 S   HC   _H6_    74     1.09441   112.59438   -50.13427
   72    70 S   HC   _H7_    75     1.09278   113.01726  -171.06029
   73    70 S   HC   _H8_    76     1.09642   110.52967    69.59985
   74    69 S   CA   _C11    59     1.38675   120.47230     0.00000
   75    74 S   HA   _H14    60     1.08628   120.54303   179.29114
   76    69 S   OH   _O34    77     1.36562   121.20564   179.75531
   77    76 S   HO   _H25    78     0.97235   108.59290     0.18131
   78    74 S   CA   _C10    61     1.39630   119.63692    -0.43251
   79    78 S   HA   _H13    62     1.08587   117.48053   178.84411
   80    62 S   CA   _C9_    63     1.41320   122.29077   -14.90271
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   3   5   4   3
   5   2   1   1  11  20  13   7   6   6   1  11   5   4  19   7
  18   9  12   6   5  15   7   8   4   3  10   6   5   8   8   3
   2   8   4   4   7   3   2   1   1   6   4   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    68    42  
   35    36  
   36  
    0  
   38    39    40    41    44    47    63    68    70    42    43  
   39    40    41    44    45    46    47    48    49    59    63    64    65    68    70    71    72    73    42    43  
   40    41    44    45    46    47    48    49    63    68    70    42    43  
   41    44    45    46    47    68    42  
   44    45    46    47    68    42  
   43    44    47    63    68    70  
   68  
   45    46    47    48    49    50    51    54    63    68    70  
   46    47    48    49    68  
   47    48    49    68  
   48    49    50    51    52    53    56    80    54    55    59    63    64    65    68    70    71    72    73  
   49    50    51    54    63    68    70  
   50    51    52    53    56    57    58    62    78    80    54    55    59    60    61    63    68    70  
   51    52    53    56    80    54    55    59    68  
   52    53    56    57    58    62    66    80    54    55    59    68  
   53    56    57    58    62    54  
   56    57    58    62    54  
   55    59    60    61    63    64    65    68    56    62    66    74    78    79    80  
   59    60    61    63    62    78    80  
   57    58    62    66    67    69    78    80  
   58    62    66    80  
   62    66    80  
   60    61    63    64    65    68    70    62    78    80  
   61    63    64    65    68    80  
   63    64    65    68    80  
   66    67    69    74    78    79    80    76  
   64    65    68    70    71    72    73    80  
   65    68    70  
   68    70  
   67    69    74    75    78    80    76    77  
   69    74    80    76  
   70    71    72    73  
   74    75    78    79    80    76    77  
   71    72    73  
   72    73  
   73  
    0  
   75    78    79    80    76    77  
   78    79    80    76  
   77    78  
    0  
   79    80  
   80  
    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  -0.175000   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   3.6500   0.1500   0.007500   2.0580   1.8250   0.025318638  -1.264311570
   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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   310.000  1.697
   33    37   985.000  1.221
   37    38   390.000  1.470
   38    39   268.000  1.529
   38    68   268.000  1.529
   38    42   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    68   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   317.000  1.510
   62    66   469.000  1.400
   62    80   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    74   469.000  1.400
   69    76   450.000  1.364
   74    75   367.000  1.080
   74    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    54   317.000  1.510
   54    55   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   76    77   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    90.00000   99.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    30.00000  176.66000
   33    37    38    30.00000  179.48800
   37    38    39    58.35000  112.70000
   37    38    68    58.35000  112.70000
   37    38    42    90.00000  111.78800
   38    39    40    37.50000  110.70000
   38    39    41    37.50000  110.70000
   38    39    44    58.35000  112.70000
   38    68    47    58.35000  112.70000
   38    68    63    58.35000  112.70000
   38    68    70    58.35000  112.70000
   38    42    43    55.00000  108.50000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    58.35000  112.70000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    68    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    54    58.35000  112.70000
   47    68    63    58.35000  112.70000
   47    68    70    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    54    80    70.00000  112.17500
   49    54    55    37.50000  110.70000
   49    54    59    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    70.00000  112.17500
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    66    70.00000  120.00000
   56    62    80    70.00000  120.00000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   62    66    67    35.00000  120.00000
   62    66    69    63.00000  120.00000
   62    80    78    63.00000  120.00000
   62    80    54    70.00000  120.00000
   66    69    74    63.00000  120.00000
   66    69    76    70.00000  120.00000
   69    66    67    35.00000  120.00000
   69    74    75    35.00000  120.00000
   69    74    78    63.00000  120.00000
   69    76    77    35.00000  113.00000
   74    78    79    35.00000  120.00000
   74    78    80    63.00000  120.00000
   78    74    75    35.00000  120.00000
   78    80    54    70.00000  120.00000
   80    62    66    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    54    55    35.00000  109.50000
   80    54    59    70.00000  112.17500
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    63    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    68    70    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    38    39    58.35000  112.70000
   68    47    48    37.50000  110.70000
   68    47    49    58.35000  112.70000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   76    69    74    70.00000  120.00000
   42    38    39    50.00000  109.50000
   42    38    68    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   0.00000  1.0 1.0
   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   0.00000  1.0 1.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   33    37    38    39   0.00000  1.0 1.0
   33    37    38    68   0.00000  1.0 1.0
   33    37    38    42   0.00000  1.0 1.0
   37    38    39    40   0.15000  1.0 3.0
   37    38    39    41   0.15000  1.0 3.0
   37    38    39    44  -0.74000  1.0 1.0
   37    38    39    44   0.24050 -1.0 2.0
   37    38    39    44   0.24650  1.0 3.0
   37    38    68    47  -0.74000  1.0 1.0
   37    38    68    47   0.24050 -1.0 2.0
   37    38    68    47   0.24650  1.0 3.0
   37    38    68    63  -0.74000  1.0 1.0
   37    38    68    63   0.24050 -1.0 2.0
   37    38    68    63   0.24650  1.0 3.0
   37    38    68    70  -0.74000  1.0 1.0
   37    38    68    70   0.24050 -1.0 2.0
   37    38    68    70   0.24650  1.0 3.0
   37    38    42    43   0.35600  1.0 1.0
   37    38    42    43  -0.10750 -1.0 2.0
   37    38    42    43  -0.54400  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39    44    46   0.15000  1.0 3.0
   38    39   -44    47   0.56750  1.0 1.0
   38    39   -44    47  -0.07550 -1.0 2.0
   38    39   -44    47   0.20000  1.0 3.0
   38    68    70    71   0.15000  1.0 3.0
   38    68    70    72   0.15000  1.0 3.0
   38    68    70    73   0.15000  1.0 3.0
   39    38   -68    47   0.56750  1.0 1.0
   39    38   -68    47  -0.07550 -1.0 2.0
   39    38   -68    47   0.20000  1.0 3.0
   39    38    68    63   0.56750  1.0 1.0
   39    38    68    63  -0.07550 -1.0 2.0
   39    38    68    63   0.20000  1.0 3.0
   39    38    68    70   0.56750  1.0 1.0
   39    38    68    70  -0.07550 -1.0 2.0
   39    38    68    70   0.20000  1.0 3.0
   39    38    42    43  -0.11600  1.0 1.0
   39    38    42    43  -0.09450 -1.0 2.0
   39    38    42    43   0.21250  1.0 3.0
   39    44    47    48   0.15000  1.0 3.0
   39    44    47    49   0.56750  1.0 1.0
   39    44    47    49  -0.07550 -1.0 2.0
   39    44    47    49   0.20000  1.0 3.0
   39    44   -47    68   0.56750  1.0 1.0
   39    44   -47    68  -0.07550 -1.0 2.0
   39    44   -47    68   0.20000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    46   0.15000  1.0 3.0
   41    39    44    47   0.15000  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.56750  1.0 1.0
   44    47    49    51  -0.07550 -1.0 2.0
   44    47    49    51   0.20000  1.0 3.0
   44    47    49    54   0.56750  1.0 1.0
   44    47    49    54  -0.07550 -1.0 2.0
   44    47    49    54   0.20000  1.0 3.0
   44    47   -68    38   0.56750  1.0 1.0
   44    47   -68    38  -0.07550 -1.0 2.0
   44    47   -68    38   0.20000  1.0 3.0
   44    47    68    63   0.56750  1.0 1.0
   44    47    68    63  -0.07550 -1.0 2.0
   44    47    68    63   0.20000  1.0 3.0
   44    47    68    70   0.56750  1.0 1.0
   44    47    68    70  -0.07550 -1.0 2.0
   44    47    68    70   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    68   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    68   0.15000  1.0 3.0
   47    49    51    52   0.15000  1.0 3.0
   47    49    51    53   0.15000  1.0 3.0
   47    49    51    56   0.56750  1.0 1.0
   47    49    51    56  -0.07550 -1.0 2.0
   47    49    51    56   0.20000  1.0 3.0
   47    49    54    80  -0.03700  1.0 1.0
   47    49    54    80   0.37200 -1.0 2.0
   47    49    54    80  -0.47300  1.0 3.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    59   0.56750  1.0 1.0
   47    49    54    59  -0.07550 -1.0 2.0
   47    49    54    59   0.20000  1.0 3.0
   47    68    70    71   0.15000  1.0 3.0
   47    68    70    72   0.15000  1.0 3.0
   47    68    70    73   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    68    38   0.15000  1.0 3.0
   48    47    68    63   0.15000  1.0 3.0
   48    47    68    70   0.15000  1.0 3.0
   49    47    68    38   0.56750  1.0 1.0
   49    47    68    38  -0.07550 -1.0 2.0
   49    47    68    38   0.20000  1.0 3.0
   49    47    68    63   0.56750  1.0 1.0
   49    47    68    63  -0.07550 -1.0 2.0
   49    47    68    63   0.20000  1.0 3.0
   49    47    68    70   0.56750  1.0 1.0
   49    47    68    70  -0.07550 -1.0 2.0
   49    47    68    70   0.20000  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    58   0.15000  1.0 3.0
   49    51    56    62  -0.03700  1.0 1.0
   49    51    56    62   0.37200 -1.0 2.0
   49    51    56    62  -0.47300  1.0 3.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    61   0.15000  1.0 3.0
   49    54   -59    63   0.56750  1.0 1.0
   49    54   -59    63  -0.07550 -1.0 2.0
   49    54   -59    63   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    80   0.43200  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   51    49    54    80  -0.03700  1.0 1.0
   51    49    54    80   0.37200 -1.0 2.0
   51    49    54    80  -0.47300  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    59   0.56750  1.0 1.0
   51    49    54    59  -0.07550 -1.0 2.0
   51    49    54    59   0.20000  1.0 3.0
   51    56    62    66   0.04150 -1.0 2.0
   51    56   -62    80   0.04150 -1.0 2.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.43200  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    62   0.43200  1.0 3.0
   56    62    66    67   3.62500 -1.0 2.0
   56    62    66    69   3.62500 -1.0 2.0
   56    62    80    78   3.62500 -1.0 2.0
   56    62    80    54   3.62500 -1.0 2.0
   57    56    62    66   0.00000  1.0 1.0
   57    56    62    80   0.00000  1.0 1.0
   58    56    62    66   0.00000  1.0 1.0
   58    56    62    80   0.00000  1.0 1.0
   62    66    69    74   3.62500 -1.0 2.0
   62    66    69    76   3.62500 -1.0 2.0
   62    80   -54    49   0.04150 -1.0 2.0
   62    80    54    55   0.00000  1.0 1.0
   62    80    54    59   0.04150 -1.0 2.0
   66    62    80    78   3.62500 -1.0 2.0
   66    62    80    54   3.62500 -1.0 2.0
   66    69    74    75   3.62500 -1.0 2.0
   66    69   -74    78   3.62500 -1.0 2.0
   66    69    76    77   0.84100 -1.0 2.0
   67    66    69    74   3.62500 -1.0 2.0
   67    66    69    76   3.62500 -1.0 2.0
   69    74    78    79   3.62500 -1.0 2.0
   69    74    78    80   3.62500 -1.0 2.0
   74    69    76    77   0.84100 -1.0 2.0
   74    78   -80    62   3.62500 -1.0 2.0
   74    78    80    54   3.62500 -1.0 2.0
   75    74    78    79   3.62500 -1.0 2.0
   75    74    78    80   3.62500 -1.0 2.0
   78    80    54    49   0.04150 -1.0 2.0
   78    80    54    55   0.00000  1.0 1.0
   78    80    54    59   0.04150 -1.0 2.0
   79    78    80    62   3.62500 -1.0 2.0
   79    78    80    54   3.62500 -1.0 2.0
   80    62    66    67   3.62500 -1.0 2.0
   80    62   -66    69   3.62500 -1.0 2.0
   80    54    59    60   0.43200  1.0 3.0
   80    54    59    61   0.43200  1.0 3.0
   80    54    59    63  -0.03700  1.0 1.0
   80    54    59    63   0.37200 -1.0 2.0
   80    54    59    63  -0.47300  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49   -51    56   0.56750  1.0 1.0
   54    49   -51    56  -0.07550 -1.0 2.0
   54    49   -51    56   0.20000  1.0 3.0
   54    59    63    64   0.15000  1.0 3.0
   54    59    63    65   0.15000  1.0 3.0
   54    59    63    68   0.56750  1.0 1.0
   54    59    63    68  -0.07550 -1.0 2.0
   54    59    63    68   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    63   0.15000  1.0 3.0
   59    63    68    38   0.56750  1.0 1.0
   59    63    68    38  -0.07550 -1.0 2.0
   59    63    68    38   0.20000  1.0 3.0
   59    63   -68    47   0.56750  1.0 1.0
   59    63   -68    47  -0.07550 -1.0 2.0
   59    63   -68    47   0.20000  1.0 3.0
   59    63    68    70   0.56750  1.0 1.0
   59    63    68    70  -0.07550 -1.0 2.0
   59    63    68    70   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    68   0.15000  1.0 3.0
   63    68    70    71   0.15000  1.0 3.0
   63    68    70    72   0.15000  1.0 3.0
   63    68    70    73   0.15000  1.0 3.0
   64    63    68    38   0.15000  1.0 3.0
   64    63    68    47   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   65    63    68    38   0.15000  1.0 3.0
   65    63    68    47   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   68    38    39    40   0.15000  1.0 3.0
   68    38    39    41   0.15000  1.0 3.0
   68    38   -39    44   0.56750  1.0 1.0
   68    38   -39    44  -0.07550 -1.0 2.0
   68    38   -39    44   0.20000  1.0 3.0
   68    38    42    43  -0.11600  1.0 1.0
   68    38    42    43  -0.09450 -1.0 2.0
   68    38    42    43   0.21250  1.0 3.0
   68    47    49    50   0.15000  1.0 3.0
   68    47    49    51   0.56750  1.0 1.0
   68    47    49    51  -0.07550 -1.0 2.0
   68    47    49    51   0.20000  1.0 3.0
   68    47   -49    54   0.56750  1.0 1.0
   68    47   -49    54  -0.07550 -1.0 2.0
   68    47   -49    54   0.20000  1.0 3.0
   76    69    74    75   3.62500 -1.0 2.0
   76    69    74    78   3.62500 -1.0 2.0
   42    38    39    40   0.23400  1.0 3.0
   42    38    39    41   0.23400  1.0 3.0
   42    38    39    44   0.86500  1.0 1.0
   42    38    39    44  -0.17500 -1.0 2.0
   42    38    39    44   0.20800  1.0 3.0
   42    38    68    47   0.86500  1.0 1.0
   42    38    68    47  -0.17500 -1.0 2.0
   42    38    68    47   0.20800  1.0 3.0
   42    38    68    63   0.86500  1.0 1.0
   42    38    68    63  -0.17500 -1.0 2.0
   42    38    68    63   0.20800  1.0 3.0
   42    38    68    70   0.86500  1.0 1.0
   42    38    68    70  -0.17500 -1.0 2.0
   42    38    68    70   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   66    80    62    56   4.00000 -1.0 2.0
   69    67    66    62   1.10000 -1.0 2.0
   74    76    69    66   4.00000 -1.0 2.0
   78    75    74    69   1.10000 -1.0 2.0
   80    79    78    74   1.10000 -1.0 2.0
   78    54    80    62   4.00000 -1.0 2.0
END
