File: badSubstPyridine.mol2

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file content (51 lines) | stat: -rw-r--r-- 1,443 bytes parent folder | download | duplicates (8)
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#	Name: NoName
#	Creating user name:	stiefni2
#	Creation time:	11. 06. 2008 16:58

#	Modifying user name:	stiefni2
#	Modification time:	11. 06. 2008 16:58

#	Program:	corina 3.40 0006  02.08.2006

@<TRIPOS>MOLECULE
NoName
  15   15    0    0    0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
   1 C1            -0.0158     1.3145     0.0093 C.ar    
   2 C2             1.1620     2.0375     0.0019 C.ar    
   3 C3             2.3711     1.3591    -0.0132 C.ar    
   4 C4             2.3499    -0.0272    -0.0204 C.ar    
   5 C5             1.1330    -0.6822    -0.0123 C.ar    
   6 N6             0.0021    -0.0041     0.0020 N.ar    
   7 C7            -1.2677    -0.7347     0.0102 C.3     
   8 H8            -0.9618     1.8354     0.0256 H       
   9 H9             1.1408     3.1173     0.0075 H       
  10 H10            3.3072     1.8978    -0.0196 H       
  11 H11            3.2728    -0.5881    -0.0326 H       
  12 H12            1.1079    -1.7619    -0.0182 H       
  13 H13           -1.5728    -0.9214     1.0399 H       
  14 H14           -2.0313    -0.1418    -0.4932 H       
  15 H15           -1.1437    -1.6846    -0.5099 H       
@<TRIPOS>BOND
   1    1    6 ar
   2    1    2 ar
   3    1    8 1
   4    2    3 ar
   5    2    9 1
   6    3    4 ar
   7    3   10 1
   8    4    5 ar
   9    4   11 1
  10    5    6 ar
  11    5   12 1
  12    6    7 1
  13    7   13 1
  14    7   14 1
  15    7   15 1

#	End of record