* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    144    201     414
    1     0 S   NP   _N1_     1    30.73651   100.92245   -21.14149
    2     1 S   H    _HN1     2     1.02877    95.31328   139.71189
    3     1 S   H    _H1_     3     1.03376   122.81653  -106.18599
    4     1 S   H    _H2_     4     1.02813    15.71236   -78.61083
    5     1 S   CT   _CA1     5     1.49959   108.21117    25.59659
    6     5 S   HC   _HA1     6     1.09338   104.66832   163.77722
    7     5 S   CO3  _C1_     7     1.53728   112.84996    43.99774
    8     7 S   O2Z  _O11     8     1.26331   115.23168   -36.19158
    9     7 S   O2Z  _O12     9     1.26264   114.82309   142.96895
   10     5 S   CT   _CB1    10     1.53342   107.61769   -77.10510
   11    10 S   HC   HB11    11     1.09780   109.90815   -43.37307
   12    10 S   HC   HB12    12     1.09811   109.15753    72.95719
   13    10 S   CT   _CG1    13     1.53179   114.22741  -166.06367
   14    13 S   HC   HG11    14     1.09723   109.04538  -160.72755
   15    13 S   HC   HG12    15     1.09382   112.55358   -43.04916
   16    13 S   C    _CD1    16     1.51451   111.61228    81.74142
   17    16 S   O    _OE1    17     1.22917   121.37316    87.47087
   18    16 S   N    _N2_    18     1.38351   113.60225   -90.90146
   19    18 S   H    _HN2    19     1.01580   119.35720     1.02812
   20    18 S   CT1  _CA2    20     1.46232   122.98431  -179.82868
   21    20 S   HC   _HA2    21     1.09709   108.79400    15.19691
   22    20 S   C    _C2_    22     1.53919   110.17768  -101.32222
   23    22 S   O    _O2_    23     1.23192   121.75862  -152.06468
   24    20 S   CT   _CB2    32     1.53594   112.16434   136.55478
   25    24 S   HC   HB21    33     1.09354   109.48965    69.05000
   26    24 S   HC   HB22    34     1.09489   109.47696  -173.54105
   27    22 S   N    _N3_    24     1.38279   114.83193    34.82954
   28    27 S   H    _HN3    25     1.01458   119.72736     0.79917
   29    24 S   S    _SG2    35     1.82772   113.38900   -52.11329
   30    27 S   CT   _CA3    26     1.45446   122.78465   178.03966
   31    30 S   HC   HA31    27     1.09528   107.29146   -75.75499
   32    30 S   HC   HA32    28     1.09582   108.30233    40.68913
   33    29 S   CT   _C16    36     1.86827    99.19436   176.22462
   34    33 S   HC   _H3_    37     1.09768   106.41222   -14.90593
   35    30 S   CO3  _C3_    29     1.52800   114.27984   163.41147
   36    35 S   O2Z  _O31    30     1.26411   116.10867    17.50360
   37    35 S   O2Z  _O32    31     1.26366   114.68536  -162.16030
   38    33 S   CT   _C15    38     1.55580   108.68924  -129.81560
   39    38 S   HC   _H21    39     1.09580   109.12092   179.14751
   40    38 S   HC   _H22    40     1.09716   109.78449   -65.54912
   41    33 S   CT   _C17    71     1.58336   113.29477   104.00604
   42    41 S   OM   _O36    72     1.32710   109.49245   -63.29810
   43    38 S   CT   _C14    41     1.54317   117.46190    57.65223
   44    43 S   HC   _H19    42     1.09830   108.12640   173.43798
   45    43 S   HC   _H20    43     1.09705   109.05713   -73.07616
   46    41 S   CT   _C18    73     1.54627   113.19979    56.32951
   47    46 S   HC   _H23    74     1.09672   113.09769   -61.45083
   48    46 S   HC   _H24    75     1.09909   111.62507   178.48858
   49    46 S   HC   _H25    76     1.09552   111.21575    59.62498
   50    41 S   CT   _C19    77     1.55761   112.25422   178.31182
   51    50 S   HC   _H26    78     1.09891   111.96783   167.41817
   52    50 S   HC   _H27    79     1.09632   110.53344   -73.71767
   53    43 S   CM   _C5_    44     1.51683   115.41409    52.39114
   54    50 S   OH   _O35    80     1.42642   112.13604    45.95933
   55    54 S   HO   _H28    81     0.97162   106.85508   176.78064
   56    53 S   CM   _C6_    45     1.34669   119.64120  -120.63922
   57    56 S   HC   _H7_    46     1.08954   117.87837    -1.28375
   58    53 S   CT   _C4_    67     1.50275   116.03509    60.22390
   59    58 S   HC   _H4_    68     1.09363   110.65705   -74.66974
   60    58 S   HC   _H5_    69     1.09539   110.13269    45.13308
   61    58 S   HC   _H6_    70     1.09311   112.90947   164.00861
   62    56 S   CT   _C7_    47     1.50180   128.33353   174.34625
   63    62 S   HC   _H8_    48     1.09849   106.73895  -127.26472
   64    62 S   HC   _H9_    49     1.09458   111.99196   -12.22658
   65    62 S   CT   _C8_    50     1.53193   112.13920   112.20753
   66    65 S   HC   _H10    51     1.09758   110.09297   -80.27442
   67    65 S   HC   _H11    52     1.09752   110.20207    35.46885
   68    65 S   CM   _C9_    53     1.51942   111.57366   157.63201
   69    68 S   CM   _C10    54     1.34645   118.69754  -100.14370
   70    69 S   HC   _H12    55     1.08695   118.73279     0.78783
   71    68 S   CT   _C13    63     1.50313   114.92471    79.07987
   72    71 S   HC   _H16    64     1.09500   110.41802   -49.09587
   73    71 S   HC   _H17    65     1.09092   113.74329  -168.38836
   74    71 S   HC   _H18    66     1.09473   109.98609    70.18546
   75    69 S   CO4  _C11    56     1.48124   126.63737  -179.86583
   76    75 S   O    _O33    57     1.21887   126.29947    19.80905
   77    75 S   OS   _O34    58     1.36250   107.01506  -160.50792
   78    77 S   CT   _C12    59     1.43114   115.10868   178.58611
   79    78 S   HC   _H13    60     1.09329   108.08418  -178.80417
   80    78 S   HC   _H14    61     1.09413   110.22298    62.53579
   81    78 S   HC   _H15    62     1.09421   110.33213   -60.07421
  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  10   5   4   3
  18   8   2   1   1  12   6   5  11   8  10   4   3   7   3   2
   1   4   3   2  10   1   1  12   5   4   2   1   1   8   5   4
  10   4   3   9   9   4   4   2   1   1   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    53    41    42    46    47    48    49    50    51    52    54  
   38    39    40    43    41    42    46    50  
   36    37  
   37  
    0  
   39    40    43    44    45    53    56    58    41    42    46    50  
   40    43    44    45    53    41  
   43    44    45    53    41  
   42    46    47    48    49    50    51    52    54    55    43  
   46    47    48    49    50    51    52    54  
   44    45    53    56    57    62    58    59    60    61  
   45    53    56    58  
   53    56    58  
   47    48    49    50    51    52    54  
   48    49    50  
   49    50  
   50  
   51    52    54    55  
   52    54    55  
   54    55  
   56    57    62    63    64    65    58    59    60    61  
   55  
    0  
   57    62    63    64    65    66    67    68    58    59    60    61  
   62    63    64    65    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    71  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    75    71    72    73    74  
   67    68    69    71  
   68    69    71  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    78    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    79    80    81  
   77    78  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   78   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    53   317.000  1.510
   53    56   549.000  1.340
   53    58   317.000  1.510
   56    57   340.000  1.080
   56    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   549.000  1.340
   68    71   317.000  1.510
   69    70   340.000  1.080
   69    75   320.000  1.462
   75    76   570.000  1.229
   75    77   214.000  1.327
   77    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   570.000  1.307
   41    46   268.000  1.529
   41    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   320.000  1.410
   54    55   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   33    41    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    53    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    53    56    70.00000  124.00000
   43    53    58    65.00000  117.92700
   45    43    44    33.00000  107.80000
   53    43    44    35.00000  109.50000
   53    43    45    35.00000  109.50000
   53    56    57    35.00000  120.00000
   53    56    62    70.00000  124.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    70.00000  112.02700
   62    56    57    35.00000  117.00000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    70.00000  124.00000
   65    68    71    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    69    70    35.00000  120.00000
   68    69    75    65.00000  118.96000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    80.00000  123.72100
   69    75    77    90.00000  111.29400
   75    69    70    40.00000  117.72500
   75    77    78    83.00000  116.90000
   77    75    76    83.00000  123.40000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   71    68    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    53    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    54    50.00000  109.50000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    41    42    50.00000  109.50000
   50    41    46    58.35000  112.70000
   50    54    55    55.00000  108.50000
   52    50    51    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    41    50   0.44750  1.0 1.0
   29    33    41    50  -0.17800 -1.0 2.0
   29    33    41    50   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    53   0.34400  1.0 1.0
   33    38    43    53   0.09450 -1.0 2.0
   33    38    43    53   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   33    41    50    51   0.15000  1.0 3.0
   33    41    50    52   0.15000  1.0 3.0
   33    41    50    54   0.86500  1.0 1.0
   33    41    50    54  -0.17500 -1.0 2.0
   33    41    50    54   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   34    33    41    50   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    33    41    50   0.56750  1.0 1.0
   38    33    41    50  -0.07550 -1.0 2.0
   38    33    41    50   0.20000  1.0 3.0
   38    43    53    56   0.09850  1.0 1.0
   38    43    53    56   0.15250 -1.0 2.0
   38    43    53    56  -0.50650  1.0 3.0
   38    43    53    58   0.46850  1.0 1.0
   38    43    53    58   0.08550 -1.0 2.0
   38    43    53    58   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    53   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    53   0.15000  1.0 3.0
   43    53    56    57   7.00000 -1.0 2.0
   43    53    56    62   7.00000 -1.0 2.0
   43    53    58    59   0.34800  1.0 3.0
   43    53    58    60   0.34800  1.0 3.0
   43    53    58    61   0.34800  1.0 3.0
   44    43    53    56   0.00000  1.0 1.0
   44    43    53    58   0.34800  1.0 3.0
   45    43    53    56   0.00000  1.0 1.0
   45    43    53    58   0.34800  1.0 3.0
   53    56    62    63   0.00000  1.0 1.0
   53    56    62    64   0.00000  1.0 1.0
   53    56    62    65   0.09850  1.0 1.0
   53    56    62    65   0.15250 -1.0 2.0
   53    56    62    65  -0.50650  1.0 3.0
   56    53    58    59   0.00000  1.0 1.0
   56    53    58    60   0.00000  1.0 1.0
   56    53    58    61   0.00000  1.0 1.0
   56    62    65    66   0.15000  1.0 3.0
   56    62    65    67   0.15000  1.0 3.0
   56    62    65    68   0.31000  1.0 1.0
   56    62    65    68   0.14700 -1.0 2.0
   56    62    65    68   0.07550  1.0 3.0
   57    56    62    63   0.33100  1.0 3.0
   57    56    62    64   0.33100  1.0 3.0
   57    56    62    65   0.00000  1.0 1.0
   62    65    68    69   0.09850  1.0 1.0
   62    65    68    69   0.15250 -1.0 2.0
   62    65    68    69  -0.50650  1.0 3.0
   62    65    68    71   0.46850  1.0 1.0
   62    65    68    71   0.08550 -1.0 2.0
   62    65    68    71   0.09800  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    69    70   7.00000 -1.0 2.0
   65    68    69    75   7.00000 -1.0 2.0
   65    68    71    72   0.34800  1.0 3.0
   65    68    71    73   0.34800  1.0 3.0
   65    68    71    74   0.34800  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    71   0.34800  1.0 3.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    71   0.34800  1.0 3.0
   68    69    75    76   1.00000 -1.0 2.0
   68    69    75    77  -0.56150  1.0 1.0
   68    69    75    77   2.19150 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    77    78   2.00000 -1.0 2.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   1.63100 -1.0 2.0
   75    77    78    79   0.08050  1.0 3.0
   75    77    78    80   0.08050  1.0 3.0
   75    77    78    81   0.08050  1.0 3.0
   76    75    77    78   3.00000 -1.0 2.0
   71    68    69    70   7.00000 -1.0 2.0
   71    68    69    75   7.00000 -1.0 2.0
   58    53    56    57   7.00000 -1.0 2.0
   58    53    56    62   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    50    54    55  -0.11600  1.0 1.0
   41    50    54    55  -0.09450 -1.0 2.0
   41    50    54    55   0.21250  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   42    41    50    51   0.23400  1.0 3.0
   42    41    50    52   0.23400  1.0 3.0
   42    41    50    54   3.69350  1.0 1.0
   42    41    50    54  -1.82950 -1.0 2.0
   46    41    50    51   0.15000  1.0 3.0
   46    41    50    52   0.15000  1.0 3.0
   46    41    50    54   0.86500  1.0 1.0
   46    41    50    54  -0.17500 -1.0 2.0
   46    41    50    54   0.20800  1.0 3.0
   50    41    46    47   0.15000  1.0 3.0
   50    41    46    48   0.15000  1.0 3.0
   50    41    46    49   0.15000  1.0 3.0
   51    50    54    55   0.19450  1.0 3.0
   52    50    54    55   0.19450  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
   36    30    35    37  10.50000 -1.0 2.0
   43    58    53    56  15.00000 -1.0 2.0
   62    57    56    53  15.00000 -1.0 2.0
   65    71    68    69  15.00000 -1.0 2.0
   75    70    69    68  15.00000 -1.0 2.0
   69    77    75    76  10.50000 -1.0 2.0
END
