File: stereo3d_unknown.mol

package info (click to toggle)
rdkit 202009.4-1
  • links: PTS, VCS
  • area: main
  • in suites: bullseye
  • size: 129,624 kB
  • sloc: cpp: 288,030; python: 75,571; java: 6,999; ansic: 5,481; sql: 1,968; yacc: 1,842; lex: 1,254; makefile: 572; javascript: 461; xml: 229; fortran: 183; sh: 134; cs: 93
file content (14 lines) | stat: -rw-r--r-- 509 bytes parent folder | download | duplicates (5) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
 
F[C@](Cl)(Br)I with a squiggle bond
     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.2470    0.2356    1.4118 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0728    0.0773    0.1107 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3471    1.6071   -0.7694 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2580   -1.3147   -0.5024 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9249   -0.6053   -0.2507 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END