File: chargedAmidineRWH.mol2

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file content (60 lines) | stat: -rw-r--r-- 1,762 bytes parent folder | download | duplicates (8)
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#	Name: NoName
#	Creating user name:	stiefni2
#	Creation time:	18. 07. 2008 11:16

#	Modifying user name:	stiefni2
#	Modification time:	18. 07. 2008 11:16

#	Program:	corina 3.40 0006  02.08.2006

@<TRIPOS>MOLECULE
NoName
  19   20    0    0    0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
   1 C1            -0.0170     1.4008     0.0097 C.ar    
   2 C2            -1.2427     2.0716     0.0301 C.ar    
   3 C3            -2.4083     1.3594     0.0424 C.ar    
   4 C4            -2.3900    -0.0283     0.0352 C.ar    
   5 C5            -1.1926    -0.7111     0.0151 C.ar    
   6 C6             0.0021    -0.0041     0.0020 C.ar    
   7 N7             1.3339    -0.3670    -0.0183 N.pl3   
   8 H8             1.6831    -1.2719    -0.0277 H       
   9 C9             2.0657     0.7798    -0.0228 C.cat   
  10 N10            1.2765     1.8139    -0.0004 N.pl3   
  11 C11            1.7162     3.2114     0.0024 C.3     
  12 H12           -1.2684     3.1513     0.0366 H       
  13 H13           -3.3536     1.8814     0.0581 H       
  14 H14           -3.3202    -0.5769     0.0458 H       
  15 H15           -1.1840    -1.7911     0.0097 H       
  16 H16            3.1447     0.8251    -0.0377 H       
  17 H17            1.8069     3.5658    -1.0244 H       
  18 H18            0.9856     3.8211     0.5341 H       
  19 H19            2.6832     3.2870     0.4996 H       
@<TRIPOS>BOND
   1    1    6 ar
   2    1   10 1
   3    1    2 ar
   4    2    3 ar
   5    2   12 1
   6    3    4 ar
   7    3   13 1
   8    4    5 ar
   9    4   14 1
  10    5    6 ar
  11    5   15 1
  12    6    7 1
  13    7    8 1
  14    7    9 ar
  15    9   10 ar
  16    9   16 1
  17   10   11 1
  18   11   17 1
  19   11   18 1
  20   11   19 1

#	End of record