File: Issue3392107.1.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 (19 lines) | stat: -rw-r--r-- 688 bytes parent folder | download | duplicates (8) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
 
Row0
  Mrv0540 08161105372D          

  6  6  2  0  0  0            999 V2000
   -9.2518   -1.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9663   -2.1803    0.0000 L   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9663   -3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2518   -3.4179    0.0000 L   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5373   -3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5373   -2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
M  ALS   2  2 F C   N   
M  ALS   4  2 F C   N   
M  END