File: bond-query6.mol

package info (click to toggle)
rdkit 202503.6-3
  • links: PTS, VCS
  • area: main
  • in suites: 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 (21 lines) | stat: -rw-r--r-- 434 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
20
21
bond-query.mol
  Mrv0541 05231408192D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 5 4 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.6675 -0.3849 0 0
M  V30 2 C -1.3338 0.3849 0 0
M  V30 3 C 0 -0.3849 0 0
M  V30 4 C 1.3338 0.3849 0 0
M  V30 5 C 2.6675 -0.3849 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 5 2 3 TOPO=2
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 END BOND
M  V30 END CTAB
M  END