File: fusedRing.mol2

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file content (67 lines) | stat: -rw-r--r-- 2,012 bytes parent folder | download | duplicates (8)
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#	Name: NoName
#	Creating user name:	stiefni2
#	Creation time:	13. 06. 2008 16:18

#	Modifying user name:	stiefni2
#	Modification time:	13. 06. 2008 16:18

#	Program:	corina 3.40 0006  02.08.2006

@<TRIPOS>MOLECULE
NoName
  22   24    0    0    0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
   1 C1            -0.0178     1.4623     0.0101 C.ar    
   2 C2            -1.2649     2.1236     0.0197 C.ar    
   3 C3            -2.4097     1.3942     0.0212 C.ar    
   4 C4            -2.3907    -0.0011     0.0141 C.ar    
   5 C5            -1.2266    -0.6991     0.0052 C.ar    
   6 C6             0.0021    -0.0041     0.0020 C.ar    
   7 C7             1.2159    -0.6885    -0.0077 C.ar    
   8 C8             2.4113     0.0286    -0.0110 C.ar    
   9 N9             3.5952    -0.6051    -0.0209 N.ar    
  10 C10            4.7038     0.0937    -0.0242 C.ar    
  11 C11            4.6849     1.4923    -0.0172 C.ar    
  12 N12            3.5577     2.1607    -0.0071 N.ar    
  13 C13            2.3914     1.4952    -0.0043 C.ar    
  14 C14            1.1770     2.1795     0.0025 C.ar    
  15 H15           -1.3080     3.2027     0.0260 H       
  16 H16           -3.3601     1.9071     0.0286 H       
  17 H17           -3.3268    -0.5398     0.0161 H       
  18 H18           -1.2403    -1.7790    -0.0001 H       
  19 H19            1.2304    -1.7684    -0.0122 H       
  20 H20            5.6529    -0.4217    -0.0321 H       
  21 H21            5.6197     2.0332    -0.0198 H       
  22 H22            1.1622     3.2594     0.0059 H       
@<TRIPOS>BOND
   1    1    6 ar
   2    1   14 ar
   3    1    2 ar
   4    2    3 ar
   5    2   15 1
   6    3    4 ar
   7    3   16 1
   8    4    5 ar
   9    4   17 1
  10    5    6 ar
  11    5   18 1
  12    6    7 ar
  13    7    8 ar
  14    7   19 1
  15    8   13 ar
  16    8    9 ar
  17    9   10 ar
  18   10   11 ar
  19   10   20 1
  20   11   12 ar
  21   11   21 1
  22   12   13 ar
  23   13   14 ar
  24   14   22 1

#	End of record