File: ShortAtropisomer.cxsmi

package info (click to toggle)
rdkit 202503.6-4
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 222,000 kB
  • sloc: cpp: 411,111; python: 78,482; ansic: 26,181; java: 8,285; javascript: 4,404; sql: 2,393; yacc: 1,626; lex: 1,267; cs: 1,090; makefile: 581; xml: 229; fortran: 183; sh: 121
file content (1 line) | stat: -rw-r--r-- 296 bytes parent folder | download | duplicates (2) 
1
 
CC1=C(N2C=CC=C2C)C(C)CCC1 |(2.67903,0.414223,;1.35094,1.18102,;0.0228505,0.41407,;0.0228505,-1.11952,;1.26445,-2.03017,;0.790107,-3.48125,;-0.744559,-3.48125,;-1.21905,-2.03017,;-2.67903,-1.56089,;-1.30539,1.18087,;-2.63348,0.41407,;-1.30539,2.71446,;0.0228505,3.48125,;1.35094,2.71461,),wU:2.9|