File: Sulfonate.mol2

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file content (36 lines) | stat: -rw-r--r-- 898 bytes parent folder | download | duplicates (8)
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#	Name: NoName
#	Creating user name:	stiefni2
#	Creation time:	12. 06. 2008 13:32

#	Modifying user name:	stiefni2
#	Modification time:	12. 06. 2008 13:32

#	Program:	corina 3.40 0006  02.08.2006

@<TRIPOS>MOLECULE
NoName
   8    7    0    0    0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
   1 C1            -0.0225     1.8097     0.0120 C.3     
   2 S2             0.0021    -0.0041     0.0020 S.o2    
   3 O3             0.7082    -0.4700     1.1854 O.co2   
   4 O4            -1.3684    -0.4918     0.0125 O.co2   
   5 O5             0.6854    -0.4572    -1.1995 O.co2   
   6 H6             1.0001     2.1870     0.0043 H       
   7 H7            -0.5497     2.1708    -0.8711 H       
   8 H8            -0.5327     2.1613     0.9088 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1    6 1
   3    1    7 1
   4    1    8 1
   5    2    3 ar
   6    2    4 ar
   7    2    5 ar

#	End of record