File: Canion.mol2

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file content (52 lines) | stat: -rw-r--r-- 1,495 bytes parent folder | download | duplicates (8)
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#	Name: NoName
#	Creating user name:	stiefni2
#	Creation time:	12. 06. 2008 13:55

#	Modifying user name:	stiefni2
#	Modification time:	12. 06. 2008 13:55

#	Program:	corina 3.40 0006  02.08.2006

@<TRIPOS>MOLECULE
NoName
  16   15    0    0    0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
   1 C1            -0.0187     1.5258     0.0104 C.3     
   2 C2             0.0021    -0.0041     0.0020 C.3     
   3 C3             0.7182    -0.4975    -1.2568 C.3     
   4 H4             1.7408    -0.1202    -1.2645 H       
   5 C5             0.7389    -2.0273    -1.2652 C.3     
   6 C6             1.4551    -2.5208    -2.5240 C.3     
   7 H7             1.0039     1.9031     0.0027 H       
   8 H8            -0.5459     1.8868    -0.8726 H       
   9 H9            -0.5289     1.8773     0.9072 H       
  10 H10            0.5293    -0.3651     0.8851 H       
  11 H11           -1.0205    -0.3814     0.0098 H       
  12 H12            1.2661    -2.3884    -0.3821 H       
  13 H13           -0.2837    -2.4046    -1.2574 H       
  14 H14            0.9279    -2.1597    -3.4070 H       
  15 H15            2.4777    -2.1435    -2.5317 H       
  16 H16            1.4698    -3.6107    -2.5299 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1    7 1
   3    1    8 1
   4    1    9 1
   5    2    3 1
   6    2   10 1
   7    2   11 1
   8    3    4 1
   9    3    5 1
  10    5    6 1
  11    5   12 1
  12    5   13 1
  13    6   14 1
  14    6   15 1
  15    6   16 1

#	End of record