File: chi3d_s2.mol

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
file content (14 lines) | stat: -rw-r--r-- 520 bytes parent folder | download | duplicates (8) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
 

  Marvin  05260815433D          

  5  4  0  0  1  0            999 V2000
   -0.1131   -0.6101   -0.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1111   -0.0494   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598   -0.8918    1.3729 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556    1.7141   -0.1374 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4695    0.0625    0.1306 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END